#DEFINITION	Reference Metabolome for Portulaca oleracea
#IDENTTFIER	RefMeta-Portulaca oleracea.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Portulaca oleracea
#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 Portulaca oleracea 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	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.0
55.01875	9.4
55.05508	38.5
57.03432	13.3
57.07067	6.0
60.08139	6.2
61.92958	3.7
65.03944	6.9
65.59276	3.6
67.05501	79.9
69.03407	21.2
69.07082	22.4
69.73884	21.0
71.04981	8.9
71.07363	5.6
79.05486	51.7
81.03416	100.0
81.07056	81.3
83.04972	40.1
83.08611	23.7
85.02899	16.0
86.09710	23.8
87.04471	12.8
88.04784	5.4
91.05479	50.3
92.00549	3.5
93.07038	51.2
95.04950	27.7
95.08594	47.6
97.02900	22.5
97.06518	7.5
97.10168	8.0
98.21516	4.9
98.98470	7.3
105.07014	38.5
107.04945	13.1
107.08580	29.1
109.02850	9.1
109.06519	11.7
109.10113	18.9
111.04438	22.5
111.08080	10.3
117.07011	10.7
117.48582	3.7
119.08588	34.3
121.10128	28.5
123.11734	8.1
124.99989	19.3
125.09681	4.0
127.03905	9.1
129.05490	15.3
129.06982	8.1
131.08569	19.6
133.06500	4.8
133.10146	25.5
135.11688	16.5
137.09576	4.2
137.13289	5.6
142.07687	3.9
143.08656	3.8
145.10110	21.8
147.08080	5.6
147.11696	22.0
149.09692	4.9
149.13251	7.7
153.12749	7.9
155.08517	6.0
157.10170	15.1
159.11676	9.3
159.38287	4.0
161.13301	5.0
163.11209	11.0
163.14816	4.3
165.12741	5.8
171.11623	5.6
173.13292	7.2
175.11221	12.1
175.14850	3.9
181.12340	5.6
184.07346	96.6
185.07658	13.1
185.13374	5.9
187.14867	4.4
191.10707	5.0
193.12236	45.6
197.13440	4.7
206.26427	4.2
208.58434	4.1
211.13278	83.4
227.12737	14.2
229.14357	4.0
230.99582	4.3
243.20995	5.5
261.22092	9.2
267.15961	12.9
275.19849	5.4
277.21866	4.3
283.15366	8.7
285.17087	20.8
299.22971	3.5
317.24722	4.0
335.25708	35.3
337.27283	12.4
339.23029	4.5
353.16217	5.0
355.17499	5.5
369.24274	6.7
405.26645	4.9
429.21002	8.3
527.37335	5.2
545.38397	34.4
595.46674	8.7
609.44781	9.2
653.40106	5.9
689.42706	25.2
707.45496	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	705.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24230	1.8
51.30645	1.8
52.92371	1.5
53.03945	14.1
55.01869	4.8
55.05510	24.6
56.14843	2.0
57.03431	7.4
57.07057	2.9
59.05014	2.9
65.03931	6.5
67.05504	98.3
69.03424	28.2
69.07066	22.5
71.01322	2.3
71.04990	58.2
71.51911	2.9
73.02892	2.2
77.03930	2.1
79.05491	74.0
81.03416	52.8
81.07054	100.0
83.04965	13.9
83.08632	11.3
85.02906	9.3
85.06549	7.3
87.04463	4.3
91.05479	75.2
93.07041	79.1
95.04970	15.6
95.08607	39.5
97.02880	20.3
97.06526	10.5
97.10189	2.3
99.04448	7.5
99.08081	3.8
101.02385	1.9
105.04490	2.6
105.07025	41.6
107.04984	2.3
107.08587	40.8
109.02866	12.8
109.06516	4.6
109.10154	17.7
111.04426	6.3
111.08118	2.6
117.07018	14.3
119.08568	19.2
121.06506	3.5
121.10138	21.8
123.08084	3.2
123.11697	16.9
125.09623	2.5
125.79089	1.8
127.03916	9.6
129.05533	3.0
129.06985	5.4
131.08562	17.9
133.06509	1.9
133.10114	33.4
135.08098	2.4
135.11674	17.9
145.10126	9.4
147.11702	12.3
149.13213	17.0
151.11157	12.0
157.06433	2.1
157.10147	5.1
159.11668	13.2
161.13281	6.3
166.61050	2.1
169.12225	2.1
173.04488	17.8
173.13284	6.3
175.11201	4.2
175.14787	1.9
177.12758	5.9
183.13788	6.5
184.07384	5.4
185.13200	5.0
187.13275	17.5
189.12677	2.3
193.12248	3.4
195.13812	5.6
201.12762	2.1
201.14720	3.4
211.14948	2.3
213.14890	2.0
237.15805	2.1
257.17511	5.4
259.20578	2.4
261.22076	4.0
269.17505	3.3
283.19037	2.1
335.25790	5.1
339.17923	8.0
349.27371	5.9
354.66318	1.9
369.24155	2.4
382.41879	1.9
395.20514	4.3
427.23471	5.2
443.28363	2.3
461.28583	3.1
469.34064	2.0
503.36804	2.3
517.38751	8.4
529.38849	3.0
561.41431	5.2
569.51465	2.2
616.04706	2.0
673.42749	6.7
705.45697	60.8
706.45923	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	707.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62806	0.2
51.04740	0.2
55.01876	0.3
55.05501	0.3
60.04509	0.2
66.61087	0.2
67.05489	1.0
69.03414	0.6
70.06586	2.9
71.59944	0.2
71.60315	0.3
72.08157	1.2
75.51898	0.2
79.05479	0.3
79.79408	0.2
81.03419	0.4
81.07034	0.4
84.04487	0.5
84.08122	1.0
86.09703	1.9
89.03899	0.4
91.05463	0.6
94.06560	1.3
95.04951	0.8
96.08116	0.5
105.03448	0.2
108.08088	0.7
109.10128	0.2
110.06059	0.3
110.07156	0.5
110.09622	0.4
116.04942	0.9
117.03325	0.4
120.08090	1.0
121.10149	0.3
122.06011	4.6
122.06883	0.3
124.07609	1.7
127.03930	0.2
129.10245	0.9
130.51657	0.2
134.05977	0.3
136.07556	2.7
137.05945	0.5
138.09082	0.5
140.07062	1.0
144.04439	2.5
145.02849	0.4
146.06041	0.4
147.04370	0.5
148.07579	0.5
150.05510	2.8
150.09216	0.2
152.07050	0.6
159.09164	0.3
160.07521	0.7
162.05499	1.2
164.07166	0.4
166.08626	0.7
168.06595	1.8
172.03923	12.3
172.07553	0.4
174.09181	0.4
175.03862	0.3
177.05519	1.1
182.08144	1.7
183.08983	0.6
184.07605	0.4
185.10718	0.3
186.09142	0.8
188.07016	0.6
190.04996	1.3
196.07553	0.4
198.09099	0.4
199.08524	0.5
199.12514	0.3
200.10727	0.7
201.10190	1.4
202.08572	0.3
202.10931	0.8
203.11797	1.3
204.06552	17.4
205.06860	0.3
207.06546	0.5
209.59300	0.3
211.08650	0.8
212.09322	0.3
213.10268	1.6
214.08664	0.9
214.10812	0.5
215.08136	0.7
215.11780	0.4
217.09729	1.2
217.13382	0.5
227.08031	0.4
227.11853	0.7
228.10362	1.1
229.09697	7.7
229.13217	0.4
230.10448	5.3
231.11278	2.3
232.09689	0.3
232.11884	0.3
238.08675	0.3
239.08098	1.2
239.11641	0.3
240.08940	0.8
241.09724	1.7
242.08092	0.3
242.10385	0.5
243.11305	3.4
244.12027	2.5
245.09286	0.7
245.12837	1.5
247.10823	1.0
254.10559	0.7
255.11244	1.6
256.09772	1.4
257.09293	1.2
257.12839	4.2
258.09927	4.2
259.07202	0.8
259.10757	5.7
260.11578	0.8
261.12363	0.8
271.10721	3.3
272.08792	0.3
272.11569	4.1
273.12326	11.4
274.10535	0.8
274.13181	0.4
275.10223	1.9
279.11127	0.4
283.10779	1.1
287.13828	0.8
288.12320	0.6
289.11847	6.6
290.12561	3.0
291.13312	0.4
297.12210	0.7
299.10309	1.7
300.11075	5.1
301.11829	4.9
303.13364	0.7
305.15030	0.9
315.13428	4.6
318.12115	3.9
319.12695	0.7
325.11771	1.5
328.14407	0.3
329.15112	0.3
332.13513	0.5
333.14426	100.0
334.14780	3.5
343.13055	0.5
351.15515	15.0
352.15784	0.5
357.14499	1.8
404.16144	0.3
490.19708	0.5
492.17044	0.3
504.17505	1.4
518.19312	0.7
550.21906	2.8
615.24725	0.3
657.24982	0.5
707.25836	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	702.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01864	0.5
55.05498	0.3
56.05040	0.3
59.68565	0.3
61.02924	0.5
65.03925	1.8
67.01843	0.6
68.99785	1.1
69.03127	0.3
69.03433	3.1
70.06591	5.3
70.90986	0.3
70.91318	0.8
71.04995	0.4
72.08148	2.5
73.02888	0.6
73.07468	0.5
74.06075	0.8
79.05482	0.6
81.03410	2.8
84.04499	0.6
84.08147	2.0
85.02905	3.0
86.06021	0.5
86.09712	2.1
87.00823	1.1
88.04051	0.4
91.05479	20.0
97.02892	1.9
99.04441	0.6
102.05556	0.4
107.04941	1.1
109.02875	2.5
109.06515	1.1
110.07177	0.8
111.00783	0.6
117.03365	0.4
119.04121	0.7
119.04942	11.5
120.08099	0.6
121.02855	0.8
121.06500	0.4
123.04415	3.7
127.03893	2.9
129.10219	1.1
132.10223	0.4
134.03600	0.5
134.05995	0.7
135.04399	3.3
136.07559	0.7
137.02394	4.6
137.05972	100.0
138.06277	1.3
145.02817	0.8
145.05005	0.5
147.04413	2.9
152.07068	1.8
153.01825	88.2
154.02162	0.8
154.08627	2.6
157.99864	0.4
159.02950	0.6
161.06003	0.9
163.03873	1.0
164.07054	12.6
165.01869	0.9
171.02901	0.6
171.04329	0.4
175.03931	0.5
177.05469	1.2
187.05991	0.6
189.05424	0.6
203.03404	0.4
207.06474	0.5
209.08066	0.4
215.10336	0.7
217.04947	3.8
227.03389	1.8
229.04933	1.3
237.05432	0.6
245.04439	3.4
255.02850	1.4
257.04514	1.0
257.08142	0.5
258.05386	0.6
267.06531	0.6
272.09174	6.0
273.03922	64.2
274.04419	2.0
285.03949	2.1
285.07101	0.4
286.04721	0.7
301.03424	10.6
302.04172	8.4
302.09903	0.5
303.04971	34.4
304.05420	0.9
349.29391	0.4
357.08035	0.6
401.07120	8.1
407.07611	1.6
436.10126	0.8
437.08661	5.6
443.18958	0.4
454.11365	14.1
455.11438	0.5
465.10638	0.7
507.11325	0.6
549.08319	0.4
550.09503	0.7
551.10370	9.3
551.18286	0.3
570.88428	0.4
575.89471	0.5
616.16351	1.4
658.17566	1.6
684.15564	0.5
702.16516	21.5
703.16541	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	702.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36006	0.4
52.83040	0.5
53.03934	0.8
56.05025	0.5
65.03931	2.1
67.01859	0.5
68.99775	1.6
69.03411	3.0
69.72392	2.5
70.06264	0.4
70.06593	4.7
72.08147	2.8
74.06060	0.8
78.78998	0.4
79.05487	0.9
81.03419	2.9
84.04484	1.1
84.08141	2.2
85.02891	2.9
86.09686	2.0
87.00816	1.3
89.80312	0.5
91.05479	21.2
92.05777	0.6
97.02871	1.9
99.04450	0.7
105.03389	0.7
107.04948	1.1
109.02855	2.2
109.06525	1.0
110.07175	0.5
111.00740	0.5
119.04934	12.5
121.06527	0.6
123.04444	3.2
127.03902	2.4
129.10179	1.1
131.04922	0.9
133.62283	0.4
134.06058	0.6
135.04442	3.4
136.07594	0.7
137.02364	3.8
137.05969	100.0
138.06303	1.3
139.19814	0.5
145.02779	0.9
145.04997	0.7
147.04407	3.7
149.05916	0.5
150.05437	0.6
152.07051	1.2
153.01819	87.8
154.02159	0.8
154.08640	2.6
159.02893	0.6
163.03799	0.8
164.07054	11.9
165.01814	1.3
169.09740	0.4
171.02875	0.7
175.03969	0.5
177.05501	1.6
181.99916	0.4
187.06032	0.8
189.05484	1.0
201.05507	0.7
213.09326	0.5
215.10384	0.5
217.05005	2.8
227.03397	1.6
229.04906	1.4
231.05057	0.9
237.05516	0.5
245.04474	4.3
246.73531	0.5
255.03023	2.5
257.04456	2.0
267.06702	0.7
272.09152	5.1
273.03915	68.0
274.04431	2.0
285.04010	2.4
286.04733	0.9
301.03418	11.2
302.04181	7.3
302.09982	0.8
303.04962	35.8
304.05240	1.1
346.19775	0.6
357.07935	0.6
401.07092	8.2
407.07635	2.0
436.10336	1.5
437.08594	7.3
452.32932	0.5
454.04959	0.9
454.11295	14.5
455.11188	0.7
465.10269	0.7
507.11176	0.7
521.09351	0.8
550.08643	0.6
551.10205	10.8
616.16510	2.0
658.16895	0.9
702.16443	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	701.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.8
55.01865	16.4
55.05510	50.7
57.03431	13.1
57.07061	7.8
65.03951	6.1
67.05502	100.0
67.26108	3.9
69.03430	8.0
69.07060	35.8
69.20937	46.1
79.05483	52.2
79.72514	5.4
81.03422	10.5
81.07054	92.1
83.04976	7.5
83.08617	27.8
91.05479	52.3
93.07041	63.6
95.01324	14.6
95.04966	15.4
95.08611	50.1
97.06528	6.9
97.10151	27.2
103.05450	4.6
105.07035	48.0
107.04949	11.4
107.08582	37.2
109.02845	5.1
109.06519	9.9
109.10155	26.9
111.08063	5.0
115.05493	8.3
117.07028	24.7
119.08578	38.8
121.06512	6.1
121.10159	22.1
121.14365	4.5
123.04436	7.1
123.08004	6.4
125.09632	9.2
128.06201	5.8
129.07004	24.4
131.04901	6.0
131.08556	40.1
133.10085	24.2
135.04414	6.4
135.08029	5.4
135.11716	12.7
137.05984	5.3
141.06998	18.1
143.08545	23.3
145.06505	9.4
145.10109	31.5
147.04448	5.5
147.11702	15.7
149.02373	8.0
149.13219	5.9
151.03918	10.6
155.08557	27.5
157.10172	17.3
159.08095	9.4
159.11708	22.2
161.05994	8.2
161.13277	8.1
163.03893	10.3
165.01865	7.8
167.03394	7.5
167.08551	16.4
168.09290	6.0
169.10178	19.0
171.08040	5.8
171.11667	17.8
173.05960	5.0
173.09567	5.6
173.13214	8.1
175.03917	6.2
177.05402	7.1
179.08565	5.4
180.09460	5.4
181.05031	5.3
181.10120	17.6
183.08089	5.0
183.11719	22.2
185.09602	6.8
185.13301	15.4
187.14825	5.8
189.05521	6.6
189.09033	6.2
193.10101	8.8
195.11676	12.2
197.13310	13.2
199.03976	5.8
199.14893	8.6
205.05017	5.2
207.11841	10.2
209.13239	12.0
211.07611	7.3
211.11160	6.6
211.14767	6.0
213.12779	4.9
223.14825	6.3
227.10696	8.6
227.12798	5.1
233.13451	5.9
235.14819	5.8
237.16449	9.1
257.11761	6.0
259.20551	8.1
285.22104	6.2
301.10757	5.5
301.21878	5.0
303.12369	12.1
309.22189	5.5
311.21497	3.9
311.25760	16.8
313.10989	6.5
321.13382	16.1
349.12646	11.5
433.30856	11.6
507.34790	7.5
525.36115	27.0
526.36359	20.0
573.31738	8.0
591.32593	8.1
609.34064	14.9
637.37262	6.6
647.36121	5.5
655.38354	5.4
657.45190	13.4
665.36407	17.9
683.37891	62.2
701.38684	93.3
701.48700	11.4
702.38599	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	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01870	11.2
55.05508	33.0
57.03421	11.3
57.07064	4.7
65.03941	5.1
67.05499	100.0
69.03435	28.3
69.07073	28.4
70.71838	10.5
71.04988	11.7
79.05483	60.6
81.03406	36.9
81.07051	87.9
83.04984	17.7
83.08620	11.3
85.02914	11.8
85.06511	3.7
87.04475	12.6
91.05484	51.0
93.07046	62.8
95.04968	16.8
95.08601	51.0
97.02870	23.3
97.06526	13.8
97.10164	6.8
99.04442	8.4
105.07014	46.6
107.04955	10.6
107.08588	43.6
109.02850	11.5
109.06498	8.2
109.10152	30.2
111.04442	16.7
111.08091	7.3
115.05437	4.6
117.07027	25.6
119.08568	36.1
121.06507	6.9
121.10141	25.5
123.08095	9.8
123.11686	8.7
125.09602	5.7
127.03895	9.1
129.07033	15.5
129.67262	4.5
131.08559	30.1
133.06427	5.2
133.10129	25.5
135.08017	5.1
135.11678	25.9
141.06973	6.0
143.08572	11.6
145.06476	7.5
145.10112	21.1
147.08070	6.9
147.11693	17.8
149.09572	6.2
149.13249	7.1
151.11264	6.8
155.08525	6.0
157.10098	13.7
159.08099	6.2
159.11722	12.4
161.09602	4.1
161.13293	6.2
163.11201	10.7
170.15697	4.4
171.11661	6.2
173.09630	5.2
173.13240	9.1
183.11687	5.3
184.07361	11.7
185.13182	7.9
191.10605	7.9
197.13309	4.1
209.11678	27.8
211.73415	3.7
213.16386	4.2
217.06110	4.1
227.12825	7.1
227.16385	5.3
229.14380	10.3
273.21823	4.1
283.15353	13.1
297.22293	4.1
301.21780	4.2
335.25894	4.5
382.29453	4.1
382.34149	3.8
426.16171	3.7
433.30664	4.8
469.33319	4.5
487.33374	6.1
501.35556	6.9
519.36627	11.7
525.35669	9.5
543.36859	37.3
561.37598	12.5
669.39575	11.0
673.42267	5.3
687.40771	12.2
705.41675	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	702.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01874	3.0
55.05508	41.2
57.03435	9.6
57.07060	2.5
59.30515	2.1
61.02928	4.2
66.39582	2.1
67.05501	46.2
69.03432	5.5
69.07067	11.5
70.29494	1.9
70.91556	2.3
70.91904	3.8
71.04993	2.4
71.08621	1.9
79.05486	31.0
81.03407	2.7
81.07056	42.2
83.04946	3.6
83.08616	29.0
85.02885	4.4
86.09697	10.1
91.05470	13.0
93.07038	28.6
95.04959	2.2
95.08594	23.9
97.09557	3.4
97.10164	55.0
101.09647	2.2
102.99181	2.2
105.07028	7.3
107.08593	30.6
109.06495	2.9
109.10151	16.0
111.08086	2.4
117.07043	3.5
119.08575	4.2
121.10143	9.5
123.11755	3.6
125.00001	5.1
125.09628	52.2
131.08598	3.7
133.10149	6.8
133.48068	1.9
135.08029	4.4
135.11703	8.6
143.10638	3.4
145.10086	5.0
147.11630	3.5
149.13301	5.0
153.09138	1.9
159.11711	3.7
161.13287	3.5
163.14780	1.8
171.10201	2.6
173.13243	4.4
184.07347	32.6
187.14894	2.4
189.11200	39.3
223.36443	1.8
227.12755	72.8
227.14964	3.9
227.20102	2.7
237.24760	1.8
243.21181	8.1
245.13828	100.0
246.14314	2.9
261.22128	22.4
279.23071	2.0
317.24799	3.8
322.04837	1.8
335.25766	67.9
431.31656	3.9
487.34262	4.1
505.35263	34.3
529.38574	6.1
668.07629	1.9
702.48474	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	702.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50391	0.3
55.05500	0.6
56.05029	0.4
57.07075	7.2
58.06590	2.1
60.04509	0.4
61.37320	0.3
65.03932	4.4
68.05011	0.5
69.03436	0.4
69.07066	0.4
70.06587	20.9
70.13297	1.4
71.08289	0.4
71.08624	4.0
72.08157	0.7
74.06080	0.3
84.08115	0.9
85.10151	1.0
86.09685	1.2
88.07624	18.1
90.09177	0.3
93.03431	0.3
96.63631	0.3
101.48585	0.3
102.09174	15.0
105.03373	0.6
121.02840	2.0
131.04907	0.4
132.02005	0.4
132.10191	2.8
133.02791	0.5
139.03879	2.2
146.11758	2.1
147.04407	0.9
149.02338	61.8
149.03430	5.0
150.02649	0.6
175.03923	1.6
177.05496	0.7
180.04025	0.3
193.04953	36.1
194.05258	0.5
212.23805	0.9
219.06450	1.5
225.05447	0.9
237.07544	5.0
238.25365	0.4
256.26340	49.2
257.26669	1.0
263.09070	1.1
269.04425	0.7
275.17215	0.3
297.04034	1.4
300.28937	10.7
301.29489	0.4
313.07050	1.3
341.06525	5.4
343.08093	0.4
359.07635	3.6
385.09131	12.3
387.10663	0.8
403.10199	12.4
413.86609	0.3
429.11801	23.8
430.11923	0.4
473.14435	12.4
474.14545	0.4
514.31726	0.3
640.34814	1.7
684.37762	1.2
700.03076	0.4
702.38397	100.0
703.38751	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	700.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
57.03426	0.8
61.02910	0.6
65.03932	0.7
69.03423	2.4
69.07038	0.9
69.58622	1.3
69.59026	3.1
70.06590	7.2
72.08145	2.4
73.02888	0.6
79.05482	1.7
80.04985	0.9
80.63931	0.6
81.03411	1.4
81.07069	1.0
82.06560	1.6
84.04502	1.9
84.08139	2.4
85.02884	3.6
86.09710	4.0
88.76858	0.5
91.05472	3.9
93.07053	5.9
94.06570	7.4
95.04967	1.0
95.07341	4.8
95.08594	0.9
96.08133	12.7
97.02894	1.4
97.06504	0.7
98.21509	0.8
98.36435	0.5
103.05462	1.1
106.06556	0.8
107.07365	0.8
108.04491	1.1
108.08114	11.8
109.02883	0.8
110.07173	0.7
110.09678	24.3
116.04994	1.6
117.03356	0.8
118.06502	1.1
119.04948	0.7
120.04462	4.3
120.08101	17.7
121.06511	1.6
122.06013	2.7
122.09667	1.9
123.06698	0.6
124.07612	5.3
126.34102	0.6
127.03882	1.1
129.10233	1.3
134.06018	1.2
136.07565	8.9
137.05988	3.2
138.04570	0.6
138.05469	2.8
138.09137	36.3
144.04475	3.4
145.02838	1.5
146.06029	3.7
147.04454	1.4
148.03873	0.7
148.07561	7.2
149.06015	0.9
150.05489	1.5
150.09142	1.8
152.04579	0.5
152.07085	2.1
154.08591	0.6
160.03957	1.8
161.08267	0.6
162.05508	2.9
162.06667	0.5
163.03940	1.1
164.07129	1.6
166.05035	2.8
166.08633	69.2
167.07062	1.3
168.10243	0.9
170.06454	0.6
172.03929	24.6
174.05502	1.0
175.07600	0.6
177.05470	3.3
178.04973	1.3
180.06561	0.7
181.05040	0.7
182.21217	0.7
188.07002	0.6
190.04977	12.2
192.06630	0.9
195.09010	0.7
197.10767	0.9
201.05522	0.9
204.04698	1.1
204.06560	10.5
207.06580	1.0
209.10732	1.3
210.11581	0.7
211.08678	1.2
212.09410	1.1
216.06644	1.1
218.08237	1.5
222.07710	0.8
222.11443	0.9
223.08702	1.3
224.09521	1.4
225.10194	4.7
226.11105	0.9
227.11810	2.5
233.07999	0.9
234.09299	0.8
235.08640	0.9
236.09476	2.3
237.10219	12.3
237.12433	0.8
238.11009	1.7
239.08192	1.7
239.11751	3.3
240.08836	0.7
241.09714	3.0
245.12906	1.0
247.14458	2.9
248.09442	0.5
249.10182	1.0
250.07211	0.6
250.11180	0.9
251.08223	2.2
251.11781	7.6
252.08989	2.0
252.12572	1.3
253.09868	5.4
253.13478	1.3
255.11295	2.3
263.11755	0.8
264.08743	1.1
265.09714	17.4
265.12323	1.1
266.10449	1.8
267.11313	3.0
268.08582	0.9
271.10843	2.8
273.12357	5.6
278.06595	7.4
279.11304	10.1
280.08362	2.0
280.11752	1.1
281.09207	3.4
281.12784	2.6
283.10825	4.6
285.12277	1.3
289.09964	0.9
292.08154	2.6
293.09210	15.4
294.10007	3.4
295.10715	2.1
297.12347	5.3
299.10358	3.1
299.13605	0.7
300.11023	1.0
307.10828	4.1
309.12210	2.8
311.10126	4.5
311.13037	0.7
312.11078	3.0
313.11823	5.3
323.10074	1.8
325.11816	20.1
327.13272	1.1
335.10181	8.5
340.10550	1.9
341.11313	17.7
343.13037	1.6
353.07230	0.6
353.11282	16.6
357.14371	3.8
373.13953	13.3
385.13818	7.2
386.14453	0.7
390.18301	0.8
400.16376	1.5
418.17746	1.2
446.17062	0.9
460.18658	3.2
465.18900	6.1
478.19864	6.0
488.18201	7.6
492.21765	0.9
506.19229	100.0
507.19876	1.3
520.20746	2.9
538.21857	24.2
706.91156	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	700.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46228	0.6
59.46134	0.6
61.02925	0.8
67.05499	1.3
69.03413	2.1
69.07070	1.1
70.06589	8.9
70.51914	1.4
72.08139	2.0
79.05505	1.5
80.05003	0.9
81.03405	1.3
84.04475	1.6
84.08152	3.7
85.02885	3.2
86.09708	4.5
89.03888	0.7
89.73984	0.6
91.05482	2.7
93.07030	4.4
94.06569	6.6
95.04958	1.1
95.07335	5.4
96.08127	12.6
97.02879	1.7
97.06516	1.7
98.21554	0.6
100.11243	0.8
103.05504	1.1
105.05652	0.6
105.38157	0.7
107.04955	1.1
107.07400	0.8
108.08117	10.0
109.08897	1.3
110.07174	1.6
110.08917	1.3
110.09677	20.8
110.10410	1.3
112.14146	0.8
116.04965	1.8
118.06532	0.7
119.04961	0.6
120.04440	4.9
120.08094	16.1
121.06456	0.9
122.06017	3.9
122.09640	2.0
123.06773	0.8
123.80910	0.6
124.07598	5.1
127.03928	0.8
129.10226	1.6
130.06546	0.7
134.06001	1.7
135.04460	0.7
136.07576	7.9
137.05956	1.8
138.05501	5.1
138.09132	34.0
144.04436	4.6
145.02814	1.4
146.06033	3.2
147.04419	1.6
148.07574	4.6
150.05452	1.2
150.09169	1.9
152.07066	4.1
154.08699	0.8
160.03914	1.3
162.05479	2.3
164.07036	1.5
166.04965	3.1
166.08635	60.7
167.07111	1.7
168.10231	2.2
172.03929	25.8
174.05569	1.6
177.05450	3.1
178.05000	1.5
184.09888	0.8
188.07132	0.8
190.05006	11.0
192.06667	1.1
192.69772	0.6
196.09987	0.7
197.10765	1.2
204.06570	12.2
206.07938	0.8
207.06580	0.8
208.09950	1.0
209.10683	1.4
211.12291	0.8
212.09521	1.2
213.10326	1.0
214.04855	0.8
216.06551	0.8
223.12263	0.8
224.09528	1.8
225.10257	2.8
226.10774	0.9
227.11749	1.7
234.09355	0.8
236.09450	2.1
237.10225	9.4
238.10944	1.9
239.08188	1.9
239.11769	2.3
240.08907	0.7
241.09720	2.0
245.13002	1.5
247.14420	4.2
249.10292	2.0
251.08159	2.5
251.11804	7.8
252.09001	1.4
252.12497	1.0
253.09760	5.3
253.13339	1.0
255.11249	2.0
261.10217	0.7
263.11816	1.7
264.08994	1.2
265.09744	14.8
266.10553	2.4
267.11285	2.8
268.08469	0.9
269.13077	1.2
271.10788	2.4
273.12390	4.5
278.06631	5.7
278.09775	0.8
279.11243	8.1
280.08484	1.9
280.12006	0.7
281.09128	1.8
281.12872	2.8
283.10788	5.3
285.12289	1.6
289.09683	0.8
292.08154	1.9
293.09244	12.5
293.12485	1.2
294.09854	3.0
295.10580	0.7
297.12268	4.9
299.10242	2.1
300.11029	0.8
307.10867	3.6
309.12399	2.5
311.10416	3.1
312.11237	3.6
313.11792	5.0
323.10138	1.5
325.11841	16.3
329.15109	0.8
335.10187	7.5
340.10403	1.5
341.11337	15.2
343.12961	1.9
353.11359	11.9
357.14417	5.1
373.13968	9.0
385.14081	4.3
418.17789	0.9
452.09836	1.2
460.18738	2.6
462.20459	1.4
465.18878	5.7
478.19702	5.4
488.18164	7.5
494.06293	0.6
506.19220	100.0
507.19550	1.4
510.22443	1.4
520.20349	2.6
538.21844	17.6
555.03107	0.7
688.22021	0.7
699.52972	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	701.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
55.31269	0.2
59.81379	0.2
67.05500	0.5
69.07090	0.2
79.05505	0.4
81.07053	0.6
90.47250	0.2
91.05488	0.5
93.07041	0.4
96.70015	0.2
102.52431	0.2
103.82610	0.2
105.06963	0.2
180.05981	0.2
185.04256	0.8
193.38695	0.2
195.88406	0.2
203.05266	1.6
222.67671	0.2
259.07901	1.2
305.08420	0.3
321.22617	0.3
347.09552	0.6
352.13736	0.3
365.10513	2.7
421.13269	1.0
539.31909	16.0
540.32196	0.8
683.38092	0.3
701.37115	100.0
702.37598	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	700.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
55.05508	0.7
56.05027	0.5
57.03428	0.5
61.02923	0.7
61.84321	0.4
65.03935	1.3
67.05488	1.1
68.65436	0.4
69.03415	1.6
69.07039	0.9
70.06587	6.6
71.50997	0.5
71.51449	0.6
72.08134	2.1
76.87916	0.4
79.05495	2.1
80.05012	0.9
81.03401	1.5
81.05789	0.6
81.07037	1.4
81.52312	0.4
82.06580	0.7
84.04494	1.1
84.08136	2.3
85.02909	3.4
86.09698	3.9
89.03909	1.6
90.72836	0.4
91.05473	3.4
93.02907	0.5
93.05747	0.7
93.07049	4.8
94.06563	5.8
95.04967	1.5
95.07364	3.9
95.08611	1.0
96.08131	12.4
97.02907	1.1
97.06506	1.4
103.05464	2.2
105.06969	0.7
106.06572	0.6
107.04939	1.3
107.08601	0.5
108.07438	0.8
108.08118	9.2
109.02882	1.0
109.06515	0.5
109.08944	0.7
110.06036	0.5
110.07167	1.4
110.08919	1.0
110.09680	20.1
115.05479	0.5
116.04968	1.7
117.03384	2.1
118.06541	1.4
119.04944	1.6
119.08604	0.5
120.04440	4.2
120.07256	0.8
120.08102	14.3
120.08959	0.9
121.06500	2.0
121.08391	0.5
121.10157	0.6
122.06009	3.6
122.09686	1.2
123.06799	0.9
124.07586	4.0
127.03931	1.1
129.10239	0.9
131.04939	1.1
132.08060	1.0
132.98459	0.4
133.02812	1.0
134.06010	1.6
135.04401	1.0
136.07561	7.9
137.05977	5.9
138.05516	3.2
138.09135	31.0
144.04460	3.9
145.02844	5.6
145.04938	0.6
146.05997	4.0
147.04393	1.5
147.08096	0.6
148.07542	5.1
149.05956	1.9
149.07010	0.5
150.05495	1.5
150.09160	1.5
151.03883	1.3
151.07565	1.1
152.07124	2.4
160.03943	1.7
160.05118	0.5
161.05971	0.5
162.05545	2.2
162.81262	0.4
163.03925	1.4
163.07597	1.9
164.07045	2.0
166.04948	2.3
166.08633	61.5
167.07050	1.9
167.08981	0.7
168.10233	1.4
172.03931	26.2
173.05978	1.1
174.05544	1.2
175.03918	1.4
175.07559	0.6
176.07013	0.6
177.05469	10.1
178.04980	1.1
179.07010	0.5
180.06551	0.8
181.04855	0.7
182.09648	0.5
184.09796	0.7
186.05487	0.6
187.07530	0.5
190.04990	11.6
192.06555	0.8
194.08250	1.2
197.10860	0.6
198.11494	0.6
201.05443	4.6
204.06563	16.2
205.06778	0.6
207.06544	0.7
209.08223	0.5
209.10722	1.4
211.12238	1.0
212.09496	1.9
212.48489	0.5
213.10191	1.1
216.06570	1.2
218.04445	0.9
218.08060	0.8
222.09428	0.6
222.11455	0.9
223.08606	0.9
223.12312	1.0
224.09459	1.3
225.10248	2.4
226.10985	0.5
227.11848	2.3
236.09384	2.3
236.13144	0.5
237.10231	7.9
238.10948	1.6
239.08119	1.5
239.11768	2.7
240.08916	0.6
241.09737	1.7
245.12962	1.2
247.14424	2.7
249.10219	1.2
250.07205	1.6
250.11102	0.6
251.08028	1.5
251.11787	5.9
252.08981	1.6
252.12518	1.4
253.09735	5.4
253.13400	0.9
255.11311	2.0
263.11823	1.6
264.08691	0.9
265.09711	14.2
265.12332	1.0
266.10568	2.9
267.11243	3.3
268.08478	0.7
271.10678	2.3
273.12350	5.6
277.09384	0.7
278.06635	5.3
278.09729	0.6
279.11295	8.3
280.08386	1.8
280.11823	0.7
281.09180	1.8
281.12878	2.8
283.10822	4.1
285.12405	0.9
291.11151	0.9
292.08356	2.4
293.09204	14.9
294.09967	2.9
295.10583	0.8
296.11398	0.7
297.12326	6.1
298.09369	0.5
299.10123	2.4
300.11172	1.0
301.07138	0.7
305.08002	0.6
305.24634	0.7
307.10718	4.1
309.12277	2.9
311.10196	2.4
312.11066	3.4
313.11728	4.8
316.14276	0.5
323.10181	1.5
323.25720	0.9
325.11816	15.7
327.13181	0.9
329.14642	0.5
335.10193	7.3
337.10785	0.6
339.12857	0.5
340.10632	1.8
341.11310	14.4
343.12924	1.9
353.11270	10.6
353.15228	0.9
355.11798	2.5
357.14444	6.1
367.13052	0.5
371.11905	0.7
373.13913	9.2
374.13861	0.5
383.14792	0.7
385.13925	6.3
385.18512	0.7
390.18213	0.5
406.17761	0.7
418.17432	0.8
432.19403	0.8
442.17706	0.8
446.17047	0.6
458.01028	0.4
460.18878	2.7
462.20319	1.0
465.18887	5.7
478.19681	5.2
488.18173	6.3
506.19223	100.0
507.19696	2.5
510.22153	1.4
520.20776	3.0
538.21832	20.6
638.35675	0.5
668.24066	1.5
700.38403	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	696.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03428	0.4
61.02927	0.4
63.02383	0.5
65.66167	0.2
69.03423	1.5
70.06583	0.6
70.84456	0.8
78.04706	0.2
81.03403	0.5
84.08170	0.3
85.02901	3.3
87.04443	0.3
89.03908	3.8
91.05486	0.4
97.02886	0.9
109.02886	0.5
110.07222	0.3
117.03376	12.2
127.03905	0.5
132.04430	0.5
134.03656	0.7
135.04390	0.9
145.02838	41.7
146.03183	0.7
147.04344	0.2
149.05969	4.7
149.25861	0.2
150.05470	1.6
153.04906	0.2
163.03862	0.5
177.05458	100.0
178.05933	1.4
186.05495	0.9
196.06027	2.2
287.05466	0.4
294.85541	0.2
339.10721	0.9
358.11407	0.3
372.10757	10.7
373.10867	0.3
499.24747	0.3
534.15924	1.5
547.92072	0.2
606.02362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.9
57.03438	5.2
57.07076	8.5
61.02925	22.5
67.05502	60.4
69.03419	3.7
69.07066	16.9
71.04984	2.9
71.08637	7.0
73.02917	8.5
75.57017	1.0
79.05498	14.6
81.03415	2.6
81.07053	71.8
83.04960	1.7
83.08617	16.4
85.02899	31.6
85.06525	2.5
85.10184	2.3
91.03950	23.8
91.05478	13.9
93.06490	1.7
93.07046	22.1
95.08602	62.5
96.08962	1.2
97.02885	13.6
97.06526	5.3
97.10161	8.1
98.20827	3.8
99.07117	1.1
99.08077	4.1
103.03933	1.3
105.07035	9.6
107.08597	15.4
109.10154	32.9
110.03106	1.1
110.10509	1.5
111.08085	4.5
111.11737	2.6
113.09621	2.3
115.03892	1.5
119.08604	10.0
121.10146	17.9
123.08072	1.3
123.11705	19.4
125.09618	1.9
127.03905	9.0
127.11159	1.3
133.10118	14.8
135.11688	11.6
137.09541	1.2
137.13260	7.4
139.11118	1.9
141.12729	3.7
145.04953	12.2
145.10074	1.4
147.11650	10.3
148.35970	1.1
149.13268	8.4
151.14792	7.1
155.14308	3.3
161.13254	12.3
163.06009	23.0
163.14798	12.0
164.13457	1.0
165.16377	8.5
175.14825	9.0
177.16374	2.1
179.17975	6.3
181.15871	1.0
189.16391	3.7
193.15852	1.5
197.15474	1.5
203.17969	1.8
217.19518	1.5
243.20648	1.4
245.22646	66.9
262.22629	1.8
263.23688	100.0
264.24063	1.9
265.25345	2.2
281.24796	3.3
337.27347	42.0
355.28513	8.1
358.16492	1.7
459.93491	1.4
685.27924	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	697.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01243	0.1
53.03942	1.3
54.09871	0.1
55.01869	1.5
56.04998	0.1
57.03435	0.9
57.13005	0.1
60.04498	0.2
61.02918	0.9
68.99791	0.8
69.03426	6.5
69.07043	0.2
70.06587	0.9
71.01309	0.1
71.04990	0.6
72.08123	0.4
73.02917	1.1
75.14655	0.1
79.05472	0.2
81.03413	6.3
83.01313	0.2
84.04455	0.3
84.08122	0.2
85.02900	11.4
86.09681	0.6
87.00822	4.1
87.04405	0.2
89.03941	0.1
91.03936	0.6
96.08077	0.1
97.02885	4.3
98.21512	0.3
99.04459	2.5
105.01858	2.8
105.03350	0.3
107.04927	0.2
109.02872	6.3
110.07109	0.2
111.00812	0.6
117.01850	0.8
117.03315	0.2
119.04913	0.2
120.08105	0.2
121.02839	1.6
127.03910	8.9
129.01796	0.7
129.10220	0.3
133.02798	0.5
135.04417	0.2
136.07523	0.3
137.02313	0.5
137.05925	0.3
145.02811	0.5
145.04955	3.1
145.06198	0.2
147.02905	0.6
147.04332	0.7
153.01814	2.7
157.06439	0.3
159.02882	3.4
161.05890	0.2
161.48502	0.1
164.06981	0.1
165.01826	1.4
169.06511	0.1
173.40115	0.1
175.38260	0.1
177.04047	0.2
177.05463	1.2
178.05893	0.2
183.02916	0.8
185.06007	0.3
189.03877	0.2
189.05469	0.2
189.93134	0.1
197.05954	0.1
203.07027	0.2
213.03802	0.4
213.05460	0.9
216.09602	0.2
231.04710	1.4
231.06891	0.2
241.04932	0.7
249.06021	0.2
258.05231	1.0
259.05975	0.3
269.04514	0.2
273.12308	0.1
286.04791	0.2
287.05472	100.0
288.05743	1.3
317.14520	0.1
329.06546	0.7
356.46567	0.1
449.10773	18.6
450.11227	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	698.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.05507	29.5
57.03432	7.8
57.06835	1.5
57.07073	17.8
61.02922	25.4
65.03939	1.9
67.05499	38.4
68.35264	1.1
69.03420	2.8
69.07063	45.9
71.04987	2.6
71.08633	11.0
73.02917	8.3
75.04457	3.7
79.05486	16.8
81.03421	2.1
81.07049	42.4
83.08611	38.4
84.94048	1.2
85.02898	27.1
85.06522	2.5
85.10187	5.5
91.03419	1.6
91.03950	21.3
91.05448	2.3
92.05823	1.0
93.07038	22.6
95.08600	42.4
97.02885	14.7
97.06514	10.2
97.09551	1.9
97.10162	27.8
99.08083	2.7
105.07041	1.8
107.08588	19.4
109.02846	2.4
109.10146	23.9
111.08100	5.4
111.11712	8.2
112.55463	1.1
115.03882	1.4
121.10129	43.1
123.11713	8.6
125.09618	4.1
125.13244	2.0
127.03891	7.9
135.11682	29.8
136.06067	1.2
137.13240	3.7
139.11145	3.0
145.04936	11.0
149.13234	14.6
151.14786	5.4
153.12695	2.4
163.06000	18.1
163.14798	5.0
165.16379	4.5
177.16396	4.0
191.17987	2.6
194.39525	1.3
205.19655	2.3
229.23686	1.4
247.24176	37.7
265.25244	96.8
266.25641	3.0
283.26306	19.8
339.28903	100.0
340.29297	3.6
357.29974	52.6
358.30530	1.3
361.27750	1.2
501.34085	3.2
549.46899	1.3
688.46375	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	699.435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	1.6
55.05668	0.7
56.96481	16.1
56.96795	2.8
58.00455	0.7
67.05425	1.2
69.06989	0.9
69.93336	2.3
69.93745	1.2
70.06492	1.9
71.95200	1.4
72.08095	0.8
72.95947	0.7
81.06969	1.2
83.08502	2.3
84.08048	1.2
86.09631	1.0
91.05399	1.5
93.06982	1.1
95.08540	1.0
97.96751	0.7
105.06939	1.1
121.10046	0.8
128.98500	1.2
146.99455	0.8
155.03648	1.2
157.01706	0.7
159.03191	1.2
171.03230	1.0
173.04756	0.8
177.05319	1.0
181.05177	0.8
185.04720	1.0
189.04237	1.0
195.06818	0.8
199.06403	3.6
201.04271	0.8
203.05882	3.1
211.06355	1.4
213.07967	7.2
217.07430	6.4
223.09982	1.7
225.07941	3.1
229.07445	8.5
231.06799	0.9
231.09024	16.5
233.55252	0.9
237.07808	1.9
239.09595	3.5
241.11115	9.0
243.09003	4.8
247.08517	7.1
251.09509	6.2
253.11021	1.6
255.09079	5.0
257.10623	4.5
259.12155	16.2
267.08923	0.8
269.10593	43.9
270.10690	1.6
271.11978	0.8
273.09964	2.7
282.13544	1.1
287.11655	27.5
292.12085	4.1
309.17047	0.8
310.13168	2.2
315.16202	1.1
323.18866	0.9
333.17361	15.1
351.18399	43.4
352.18793	1.9
369.19473	92.3
370.19922	3.0
374.20081	5.3
387.20523	100.0
388.20792	3.5
392.20984	2.0
410.22153	22.5
410.27637	1.2
411.22223	1.2
699.43774	28.2
700.44287	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	698.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94209	1.9
55.05511	27.0
57.03429	7.2
57.07073	16.3
61.02926	21.9
63.41531	2.5
67.05502	34.7
69.03390	2.4
69.07064	42.6
70.59158	2.1
71.04970	3.2
71.08634	9.1
71.52105	3.3
72.23794	2.1
73.02912	11.4
77.20493	2.4
79.05497	19.3
81.03410	3.0
81.07051	41.2
83.08609	45.4
85.02901	30.7
85.06550	4.2
85.10175	6.7
85.49083	1.9
91.03958	29.6
91.05457	4.9
93.07042	21.5
95.08607	42.4
97.02879	16.6
97.06531	9.1
97.10175	20.4
98.08819	2.5
103.09342	2.3
105.07027	4.7
107.08575	21.0
109.06531	3.8
109.10148	21.8
111.08108	5.0
111.11723	7.6
119.08621	4.5
121.10145	41.8
123.11714	6.8
125.09633	3.2
127.03920	9.7
131.08537	3.0
133.10109	3.4
135.11673	34.2
137.13304	4.8
139.11122	3.0
145.04959	15.4
149.13258	8.7
151.14748	2.6
163.06010	24.0
163.14792	7.0
165.16409	3.5
173.13136	3.7
175.14876	2.7
177.16328	2.7
243.45782	2.3
247.24176	39.8
265.22369	4.9
265.25250	100.0
283.26361	20.1
339.28940	76.8
340.29205	3.3
357.29968	65.0
688.20508	2.5
698.45483	6.3
701.77765	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	695.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85651	1.9
55.05511	17.3
56.05018	2.3
63.57618	2.4
67.05499	4.6
69.07041	2.3
70.06594	22.4
72.08154	9.1
78.55901	2.1
81.07058	8.1
82.06584	6.6
83.08620	9.5
84.04507	3.7
84.08136	11.3
86.09674	11.1
91.05502	2.5
93.07069	4.8
94.06580	9.9
95.07344	3.2
96.04505	2.5
96.08130	19.6
96.94129	2.1
97.06542	7.4
98.09668	11.7
100.07621	6.0
100.11256	49.3
101.11560	4.8
108.08136	7.1
110.07137	2.5
110.09668	21.1
111.04444	7.0
112.07644	4.2
114.09137	4.9
120.04480	3.6
120.08099	20.9
122.06039	10.3
124.07607	5.7
126.09159	4.8
127.08704	3.6
128.07095	8.5
129.10252	5.5
136.07574	15.1
137.05986	3.6
138.09138	34.4
138.10107	3.6
139.08656	3.7
140.07082	9.0
144.04465	3.7
146.05992	5.3
148.07552	6.8
152.07083	4.1
158.08029	2.5
162.05536	4.8
166.05051	2.6
166.08635	60.6
166.09949	3.4
167.06961	2.5
170.78200	2.2
172.03912	25.7
177.05470	3.9
180.13853	3.0
182.15410	24.8
190.05006	14.6
199.35345	2.1
204.06563	17.5
205.06595	2.7
207.14853	2.8
208.13367	3.2
209.16454	17.8
210.14903	32.6
210.16756	4.6
211.12440	2.6
211.15163	6.7
224.09415	3.4
226.14465	4.9
226.19246	3.3
227.17474	3.8
228.15982	3.8
237.10280	8.1
238.10826	3.5
241.09697	4.8
251.11882	5.2
253.09787	5.9
259.10770	9.4
260.11163	6.1
261.11325	3.0
263.11740	3.2
264.08777	2.1
265.09796	15.4
267.11301	3.5
273.12436	5.3
278.06656	2.8
279.11340	10.1
281.09189	3.7
283.10815	4.5
284.14825	2.6
285.12296	3.1
291.11301	2.2
293.09265	15.1
294.09985	3.1
295.10629	3.3
297.12277	5.9
301.11926	5.8
302.12274	4.6
303.12460	4.6
307.10880	3.2
309.12387	5.6
313.11838	4.7
319.12885	6.7
320.13290	8.8
321.13364	5.5
323.10278	3.6
325.11646	15.6
335.10257	6.5
341.11380	17.5
353.11240	11.0
357.14722	4.9
358.14908	3.1
373.14020	14.5
465.18985	7.1
478.19586	6.4
488.18216	8.1
506.19232	100.0
507.19470	3.7
520.20551	4.8
538.21881	30.1
568.44531	2.7
580.40948	4.0
581.40997	6.6
659.48193	3.3
676.48071	12.1
677.49414	56.4
694.48785	10.6
695.50385	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.8
56.05034	1.8
60.04503	1.2
67.05495	1.8
69.03452	1.0
69.07049	1.7
69.28453	2.3
69.28870	8.1
70.06594	18.6
71.06931	1.2
72.08154	7.4
74.06108	1.5
79.05499	2.6
79.07902	1.0
81.07063	1.7
82.06547	1.7
84.04499	3.1
84.08163	6.0
85.02920	1.4
86.09710	9.5
89.03898	1.1
91.05476	4.5
93.07027	5.3
94.06577	8.2
95.05011	1.6
95.07346	5.3
96.04504	1.3
96.08124	15.2
97.06536	1.7
100.11246	3.8
103.05474	1.8
106.06567	1.9
108.04419	1.1
108.08109	13.2
110.07183	7.6
110.09676	22.9
111.07561	1.1
112.07602	1.5
116.04980	2.9
120.04462	3.2
120.08095	24.9
121.06516	1.1
122.06023	13.1
123.40392	1.0
124.07582	7.7
128.53783	0.9
129.10243	3.1
134.05975	3.1
136.07561	21.6
137.05995	2.7
138.05501	3.6
138.09126	37.2
140.07056	8.3
144.04492	6.7
145.02817	2.5
146.06029	6.5
147.04411	1.7
148.03923	1.1
148.07607	6.0
150.05534	1.3
150.09149	1.4
152.07042	4.7
158.08122	5.2
158.09276	0.9
160.03957	2.5
162.05452	5.3
163.03894	1.9
164.07068	14.8
166.05002	2.4
166.08630	59.8
167.06934	1.1
172.03922	43.6
174.05534	3.1
177.05499	2.8
182.08127	11.3
182.15385	2.3
190.04977	17.2
192.33549	1.0
197.10765	1.5
198.14842	1.3
204.06546	43.6
205.06801	1.5
209.16447	1.3
210.14861	3.4
211.12332	1.8
212.09325	2.2
213.10204	1.9
215.11844	1.1
222.11505	1.6
224.09439	1.3
225.10222	2.8
227.11858	2.5
235.08548	1.2
236.09384	1.4
237.10144	9.1
238.10965	2.3
239.08217	2.9
239.11768	3.4
241.09756	3.4
243.11218	3.8
245.12889	1.3
247.14478	1.9
249.10272	2.8
251.08199	2.6
251.11736	5.4
252.08939	1.7
253.09612	6.1
253.13367	1.2
255.11348	3.3
259.10730	3.2
260.11127	2.6
263.07962	1.2
263.11871	2.5
264.08984	2.4
265.09763	14.0
266.10385	1.5
267.11288	4.9
268.08618	1.1
269.12723	1.0
271.10995	2.3
273.12225	5.5
278.06628	3.3
279.11270	8.5
280.08353	1.8
281.09418	2.0
281.12778	2.6
283.10654	4.9
285.12308	7.8
292.08246	2.0
293.09167	13.6
294.09845	2.9
295.10715	3.1
297.12317	7.0
299.10312	2.4
299.13626	1.8
300.11154	1.6
301.11737	3.4
302.12213	3.8
303.13370	8.7
307.10745	4.0
309.12347	4.0
311.10199	4.0
312.11090	2.2
313.11740	7.9
319.06863	3.8
319.12900	2.8
320.13309	3.4
321.13815	3.2
323.10251	2.1
325.11847	24.1
327.13327	1.7
333.14420	2.6
335.10059	4.9
337.11539	1.8
339.09671	1.3
339.13904	1.1
340.10648	2.0
341.11319	14.1
343.13013	5.6
353.11273	9.3
357.14429	12.9
362.14313	1.2
362.86310	1.1
373.13809	13.6
385.13892	4.4
386.15088	2.1
391.14648	1.1
415.15237	2.3
460.18793	2.7
465.18936	6.1
474.16495	5.4
478.19751	5.0
488.18137	7.5
494.19226	1.3
506.19199	100.0
507.19348	4.6
510.22455	1.5
520.20526	3.2
524.20367	1.8
538.21777	28.8
539.22003	1.6
601.26630	1.3
609.23560	1.3
627.24469	18.4
645.25079	2.6
659.27582	1.5
677.28003	1.2
695.50330	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	694.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05511	8.6
57.03433	8.1
57.07062	3.1
59.63219	1.3
61.02924	29.8
65.03915	1.3
67.05505	65.7
69.03429	3.7
69.07072	11.6
69.36053	1.3
71.04983	1.9
71.25398	3.1
73.02912	12.1
79.05491	37.8
81.03411	1.5
81.07052	70.4
83.08627	6.7
85.02389	1.4
85.02907	36.8
85.06525	3.5
91.03950	25.8
91.05472	19.3
93.07044	49.0
95.04916	2.8
95.08604	57.6
97.02898	16.7
97.06519	3.2
97.10163	3.2
99.04414	1.3
99.08082	3.1
100.97106	1.2
105.07023	17.0
107.08590	29.3
109.10154	32.8
111.08066	2.3
115.03948	1.8
117.07022	8.9
119.08577	14.4
121.10139	33.8
123.08042	2.1
123.11694	16.8
127.03919	12.6
131.08566	17.4
133.10135	13.6
135.11687	27.7
137.09622	1.9
137.13217	6.9
139.11157	1.9
145.04942	17.5
145.10129	15.1
147.11674	12.5
149.09621	1.4
149.13258	20.9
151.11137	2.4
151.14778	1.7
153.12686	2.0
159.11674	13.3
161.13310	9.9
163.06015	23.9
163.14810	15.0
165.12787	2.4
165.16403	1.7
173.13280	14.7
175.14819	3.5
177.12750	2.2
177.16322	5.3
179.14320	1.7
187.14819	9.0
191.14278	2.8
201.16328	4.9
233.22728	2.9
243.21086	33.2
261.22122	100.0
262.22507	2.9
263.23767	1.8
279.23117	5.4
319.62833	1.4
335.25769	31.1
348.49222	1.9
353.26859	58.3
354.27286	2.2
497.30954	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	693.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
56.05014	3.5
67.05490	3.1
67.37617	2.0
69.03408	6.1
70.06590	35.0
71.08801	4.9
72.08149	4.9
79.05479	8.2
80.05054	3.0
81.03413	5.8
81.07043	3.6
84.04471	5.3
84.08147	12.0
85.02893	6.8
86.09701	38.8
91.05464	11.8
93.07042	9.4
94.06563	15.0
95.04938	3.1
95.07341	7.2
95.08588	3.9
96.08127	20.4
97.02872	3.1
97.41009	1.9
98.06026	2.5
101.07121	2.7
102.05536	3.9
103.05469	2.3
104.05325	2.1
105.07038	2.4
106.06503	3.4
108.08117	18.0
109.02856	7.0
109.10127	2.5
110.07133	5.0
110.09685	30.6
111.04409	3.1
112.07590	2.2
115.08710	2.9
116.04959	2.9
118.84537	2.3
119.04932	8.2
120.04424	4.5
120.08089	34.8
122.06058	14.9
124.07571	11.3
127.03869	4.7
127.08714	2.4
129.10220	7.8
132.04515	2.8
135.04398	3.9
136.03954	2.1
136.07581	34.6
137.05966	9.6
138.05438	3.1
138.09140	41.3
140.07065	2.9
144.04381	5.8
145.02834	3.1
146.05998	7.7
147.04375	6.9
148.07532	11.4
149.06049	2.5
150.09117	3.4
151.07529	2.8
152.07066	23.3
154.04959	4.4
155.08157	4.5
157.13359	6.1
158.05980	5.4
158.08104	3.4
160.03958	2.2
162.05492	4.7
163.03893	11.3
164.07094	3.8
166.08633	64.9
167.07007	4.1
172.03932	29.7
174.09102	2.5
175.03949	10.4
175.07472	3.8
176.07072	3.8
177.05402	5.3
180.06544	8.9
185.12831	8.2
190.04976	14.5
191.06952	3.5
197.10744	4.7
204.06564	46.5
207.06546	23.2
208.07104	2.4
208.09842	2.7
209.10706	8.9
211.12300	3.6
213.10120	2.3
217.08577	2.5
218.08116	8.5
221.10684	2.5
222.07767	2.3
223.08607	5.2
223.12250	7.0
224.09369	2.8
225.08080	2.5
225.10197	10.1
227.11739	3.9
229.09731	2.4
235.08598	7.9
236.09375	8.1
237.10164	23.7
238.10866	4.2
239.08134	4.9
239.11758	8.1
241.09628	7.8
241.13271	2.1
245.12836	2.8
249.10237	27.9
250.10890	16.9
251.08160	7.5
251.11876	17.5
252.08897	3.6
252.12671	2.6
253.09692	9.5
253.13393	3.1
255.11299	5.7
256.16473	3.1
259.10794	5.8
261.10233	6.9
262.11014	19.4
263.08093	6.3
263.11688	7.0
264.08932	11.8
265.09683	21.9
265.13004	3.9
266.10538	5.7
267.11255	16.3
269.09210	4.2
269.12866	4.8
271.10699	5.3
273.12347	7.6
277.09708	24.1
278.10489	8.8
279.07709	7.2
279.11282	30.2
280.08487	3.3
281.09280	5.6
281.12799	5.8
282.10040	4.3
283.10831	5.4
285.12219	11.5
287.10190	6.4
287.13589	2.7
291.07791	4.4
291.11270	7.9
293.09146	7.7
293.12662	5.0
295.10834	14.9
296.11481	2.7
297.09030	4.8
297.12329	15.6
298.13254	5.1
299.10443	4.0
299.13800	6.0
301.12000	4.2
305.08850	13.6
305.14667	2.1
307.10794	20.6
309.08984	3.8
309.12253	12.2
311.10220	15.3
311.13632	4.3
313.11789	6.4
319.13165	4.7
321.08630	5.9
321.12241	37.1
322.12912	3.4
323.06625	3.1
323.10260	40.8
325.11810	25.2
326.12198	3.4
327.13211	3.8
329.11301	3.7
333.08630	8.0
333.14505	5.6
337.11597	24.1
339.09695	8.0
339.13440	6.1
341.11331	4.6
342.12491	3.2
343.12936	5.0
351.09775	54.2
352.10129	4.1
355.12918	8.3
356.13715	2.8
357.14590	12.0
358.15308	3.2
365.11505	3.3
369.10803	4.1
370.11359	3.0
371.12271	29.7
371.16330	3.0
373.13943	4.2
383.12387	31.7
384.12955	3.6
398.14856	2.7
401.13147	4.2
404.15698	3.6
416.16226	2.9
448.18973	2.8
458.17007	5.4
460.14438	3.3
472.14911	7.4
474.20129	8.4
476.18152	13.4
478.20261	22.4
479.20343	2.5
486.16614	5.6
490.15445	2.9
492.17505	4.1
504.17676	58.7
505.18393	21.8
506.19189	3.0
518.19037	12.9
522.18817	3.4
531.21631	7.2
536.20258	100.0
536.28479	4.7
537.20868	11.0
538.21350	3.1
550.21710	9.1
597.23303	4.8
607.21423	3.3
625.22852	7.9
643.23828	10.9
657.25714	10.8
661.25214	16.7
675.27045	3.5
693.26062	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	695.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05514	2.3
65.03933	1.7
67.05497	2.6
69.07040	2.1
70.06589	12.5
71.51398	1.8
72.08157	7.8
79.05491	3.4
81.07044	2.8
82.06573	4.2
84.04498	3.5
84.08147	4.7
85.02911	1.9
86.09708	9.8
87.09364	1.1
89.03902	1.1
91.05474	5.2
91.14446	0.9
93.05780	1.2
93.07063	5.6
94.06567	12.4
95.04961	1.9
95.07353	7.0
95.08600	1.8
96.04500	1.8
96.08130	17.3
97.06539	3.5
98.06118	1.2
98.90348	1.0
100.11259	4.4
103.05463	2.0
106.06554	1.5
107.04962	1.8
107.07350	0.9
108.08110	16.5
109.08922	1.2
109.58907	0.9
109.84918	1.0
110.06052	1.3
110.07191	5.6
110.09680	29.3
111.04465	1.1
112.07614	2.5
112.08719	1.0
116.04996	5.3
119.04933	1.5
120.04482	5.6
120.07256	1.8
120.08109	30.6
120.16676	1.1
121.06494	1.5
121.08450	1.4
121.25018	1.0
122.06018	20.5
122.09656	1.5
123.06776	1.4
124.07591	12.4
129.10219	2.6
130.05040	1.6
134.06010	4.1
136.07576	28.8
137.05992	5.5
138.05447	4.6
138.09142	44.0
140.07072	10.8
144.04433	10.9
145.02904	2.7
146.06012	8.5
147.04431	1.2
148.07533	6.9
150.05519	2.8
150.09146	1.1
152.07080	6.2
153.01878	1.5
157.52490	1.1
158.08159	5.2
159.09129	1.1
160.03963	5.1
160.07587	1.7
162.05508	6.3
163.03925	1.3
164.07065	27.2
166.05003	3.8
166.08638	69.8
172.03934	56.6
172.05453	1.9
173.04285	1.9
174.05559	3.2
176.07047	1.1
177.05484	4.1
182.08147	14.6
182.15446	1.6
190.04979	24.3
192.06499	1.7
197.10724	1.4
198.14821	1.2
204.06564	65.9
205.06717	1.7
206.08234	1.1
209.10655	1.7
209.16467	1.3
210.14888	2.1
211.12367	1.6
212.09532	2.9
213.10287	2.9
214.08667	1.1
216.06648	1.4
223.08673	1.1
223.12379	1.1
224.09375	2.6
225.10207	4.2
226.10825	1.4
226.14502	1.3
227.11810	3.4
229.09648	1.4
233.11794	1.1
234.11874	1.6
235.08739	1.4
236.09306	2.7
237.10214	13.1
238.10963	2.5
239.08138	1.7
239.11763	4.4
241.09738	3.6
243.11284	4.1
245.12758	1.5
247.14404	3.2
249.10342	2.0
250.11320	1.3
251.08153	1.7
251.11803	9.5
252.08914	2.3
252.12585	1.2
253.09659	6.8
255.11272	3.2
259.10748	4.4
260.11038	2.5
263.11743	1.9
264.08871	2.4
264.15924	3.2
265.09723	18.0
265.16290	2.1
266.10513	2.3
267.11282	5.4
269.09192	1.9
269.12805	1.7
271.10818	3.3
271.14468	1.9
273.07672	1.1
273.12372	7.8
278.06583	5.0
279.11176	8.8
280.08444	1.2
281.09238	2.4
281.12793	2.6
283.10800	5.9
285.12280	12.6
287.10361	2.2
292.07928	1.6
293.09225	15.7
294.09979	4.7
295.10651	3.7
297.09259	1.5
297.12216	7.3
299.10281	2.9
299.13913	4.5
301.11874	3.3
302.12469	1.9
303.13391	11.1
307.10864	3.4
309.12357	4.0
311.10251	4.0
312.10907	3.5
313.11780	7.4
319.06842	1.3
319.12863	3.4
320.13077	3.5
321.13773	3.9
323.10266	3.0
325.11829	32.0
327.13351	2.0
328.13974	1.4
333.14493	3.8
335.10162	8.7
337.11813	3.0
339.13837	1.3
340.10489	2.3
341.11316	13.8
342.12073	1.4
343.12872	7.6
352.27451	1.1
353.11349	14.1
357.14423	16.1
358.15121	2.1
371.12830	1.3
373.13870	10.6
385.13977	5.3
400.16577	1.3
414.13977	1.5
415.15009	2.4
418.17395	1.7
432.15256	2.3
446.17059	1.1
448.18411	1.0
456.15439	1.7
460.18762	2.8
462.16171	1.5
464.17868	1.0
465.18970	6.8
474.16864	4.6
478.19736	5.7
485.75839	1.2
488.18198	9.9
506.19235	100.0
507.19852	5.1
508.20972	1.3
512.20105	1.2
520.20636	2.0
524.19788	1.9
530.21503	1.4
538.21753	30.4
609.23047	1.8
627.24225	16.3
628.24146	2.4
645.25244	1.6
659.27118	1.9
677.27917	1.4
677.49194	1.4
695.50275	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	693.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16125	0.3
55.01855	0.6
55.05482	0.8
56.05019	0.3
60.23241	0.2
65.03937	0.2
67.05467	0.3
69.03418	0.3
70.06591	4.0
70.97765	0.7
72.08123	0.9
74.06058	0.5
79.05468	0.4
80.04992	0.3
81.07036	0.3
82.06591	0.3
83.04973	0.2
84.04472	0.9
84.08143	1.2
85.02898	0.3
86.09706	2.0
88.03965	0.4
89.03901	0.3
91.05452	0.7
93.07011	0.6
94.06558	1.3
95.07310	0.6
96.04489	0.3
96.08127	1.1
97.06535	1.2
98.06023	0.3
100.03934	0.3
102.05515	0.4
103.05474	0.3
108.04449	0.8
108.08099	1.4
109.02897	0.3
110.06060	1.3
110.07121	0.6
110.09690	1.9
115.05374	0.2
116.04974	2.0
117.05850	0.2
118.06461	0.3
118.41546	0.2
119.04934	0.3
120.04401	0.3
120.08086	3.2
122.06030	3.9
124.07583	3.3
126.05505	0.2
129.10207	0.9
130.06549	0.4
132.04445	0.3
132.08005	0.3
134.05963	0.8
135.04420	0.3
136.07578	3.3
137.05959	0.4
138.05460	0.5
138.08318	0.2
138.09138	2.3
140.07008	0.3
144.04425	3.8
144.08177	0.3
146.06012	1.0
147.04330	0.3
148.06073	0.4
148.07513	0.8
149.07034	0.5
150.05481	1.6
152.07062	2.1
158.09636	0.9
159.09126	0.5
160.03954	0.7
160.07591	1.6
160.09898	0.4
161.04643	0.3
161.89861	0.2
162.05499	2.1
163.03909	1.0
164.07008	0.8
166.08643	3.1
167.07065	0.3
170.09631	0.8
172.03934	20.0
172.07518	0.7
172.11171	0.4
173.04301	0.4
174.05559	0.5
174.09160	0.7
174.11540	0.3
175.08658	0.6
175.12349	1.2
176.07085	0.3
176.10699	0.3
178.05037	0.3
178.08611	0.3
184.07602	0.4
184.11168	0.3
185.10864	0.4
186.09126	5.6
187.08684	1.6
188.06953	0.5
188.09401	1.5
188.10803	0.3
189.04012	0.5
190.04996	3.9
190.06616	0.5
196.07571	1.2
197.05939	0.3
198.09377	1.2
199.12398	0.3
200.07050	0.8
200.10703	1.7
201.10216	1.0
202.08934	0.4
202.10982	2.8
203.08398	0.4
203.11794	6.7
204.06557	27.4
205.06931	0.7
207.06528	0.5
210.09097	0.4
212.07104	0.4
212.09200	0.4
213.08141	0.3
213.10187	2.5
214.08626	11.0
215.08144	5.1
215.11700	0.3
216.08699	0.5
217.09766	1.4
217.13560	0.3
218.08084	0.4
218.10449	0.3
221.12924	0.5
224.07004	0.3
225.10210	0.5
227.07982	0.5
227.11662	1.3
228.10197	4.0
229.09715	2.4
230.08278	0.4
230.10294	1.5
231.11281	6.9
232.09653	0.5
238.08646	0.4
240.08958	0.4
241.09752	2.7
242.08086	2.4
243.11118	0.4
245.09238	0.8
245.12888	1.0
246.09897	0.4
247.10684	1.6
253.09822	0.5
255.11250	4.7
256.09613	3.4
257.09317	0.8
257.12851	1.7
258.09952	0.3
259.10767	83.3
260.11115	2.4
271.10715	0.6
272.11508	0.3
273.12308	7.3
279.11264	0.3
283.10754	3.1
287.10361	0.5
287.13382	0.3
297.12253	0.6
301.11816	57.3
302.12222	2.4
305.11551	0.3
313.12070	0.3
319.12869	100.0
320.13190	2.9
325.08069	0.3
325.11823	4.5
335.12369	0.9
337.13931	21.2
338.14209	0.6
343.12845	1.2
357.14502	2.8
358.15259	0.4
445.14493	0.2
478.16229	0.3
486.16605	0.9
492.17902	0.4
504.17532	0.8
508.17108	0.3
510.18594	0.5
530.94690	0.3
643.24127	0.4
647.27307	0.8
657.25604	1.3
675.26544	8.1
676.26862	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	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	4.8
53.03931	13.2
55.01870	7.5
55.05513	34.9
57.03422	14.0
65.03929	6.6
67.05501	82.6
69.03427	44.4
69.07058	19.7
71.04988	12.2
71.19898	10.5
79.05482	55.8
81.03417	100.0
81.07053	80.7
83.04967	26.9
83.08599	27.5
85.02876	21.9
87.04453	12.1
89.06022	15.8
91.05475	57.5
93.07037	75.5
95.04969	45.9
95.08596	47.2
97.02876	13.6
97.10149	5.8
105.04467	5.6
105.07024	47.3
107.04971	10.3
107.08595	43.0
109.02866	14.6
109.06506	12.7
109.10143	27.9
111.04433	12.0
111.08086	14.9
117.07012	20.3
119.08570	40.1
121.06518	7.6
121.10130	26.5
123.11682	10.2
125.09637	7.9
127.03909	9.4
129.06992	20.4
131.08563	38.6
133.06509	5.7
133.08600	6.0
133.10133	31.1
135.11659	23.4
141.06972	6.7
143.08548	8.7
145.10103	21.6
147.08034	5.2
147.11673	30.1
149.09584	12.3
149.13210	7.3
155.08545	5.1
157.10118	17.2
159.08032	5.1
159.11685	14.0
161.13271	7.9
163.11191	6.7
165.12756	8.5
171.11670	8.5
173.13245	12.6
175.11221	15.7
181.12198	5.8
183.11595	4.7
184.07310	7.0
191.10687	4.9
193.12222	49.9
197.13286	5.5
211.13278	86.2
227.12817	6.9
261.22101	6.9
267.16068	7.9
283.20587	4.7
285.16949	14.8
301.21606	6.7
335.25659	6.9
341.24966	5.0
351.23462	5.0
355.17563	11.4
369.24164	14.3
375.25269	4.9
387.25034	8.6
411.21045	5.6
443.27762	6.5
461.28818	7.9
545.38159	7.9
653.40332	11.0
671.41138	13.2
689.42572	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.6
55.01874	9.9
55.05508	33.6
57.03437	10.8
57.07061	7.5
64.32911	3.4
65.03929	4.6
67.05504	78.4
69.03427	38.0
69.07067	19.6
70.08475	16.4
71.04996	7.3
71.08621	8.3
79.05490	73.9
81.03415	100.0
81.07050	62.6
82.76733	3.6
83.04972	23.9
83.08613	30.9
85.02892	18.9
85.06548	3.9
87.04444	7.4
89.06030	19.5
90.46359	3.3
90.69498	3.6
91.05484	58.1
93.07037	72.8
95.04968	29.7
95.08601	46.2
97.02902	15.1
97.06535	8.4
97.10171	11.6
98.20867	3.6
99.04442	4.1
105.07026	43.1
107.04961	8.5
107.08598	32.3
109.02893	20.5
109.06519	11.6
109.10117	19.5
111.04446	11.8
111.08083	12.7
117.07022	16.0
119.08590	36.8
121.06514	7.3
121.10136	29.4
123.08056	5.0
123.11720	6.7
125.09707	3.5
127.03907	8.5
129.07014	14.4
131.08556	30.9
133.08594	13.4
133.10126	21.0
135.11696	21.9
135.64592	3.5
142.07753	4.0
143.08559	5.7
145.10106	17.2
147.11691	33.9
149.09572	7.7
149.13251	4.7
153.12724	4.4
153.91762	3.3
155.08542	5.4
157.10114	13.6
159.07977	3.5
159.11691	5.3
161.13248	8.8
163.11151	5.2
163.14702	4.2
167.08629	4.5
169.10017	4.8
171.11644	7.6
172.92798	3.5
173.13300	8.9
175.11208	13.7
177.11246	4.3
181.10088	5.0
181.12254	6.1
183.11694	5.7
184.07312	16.4
185.13348	5.2
187.11131	4.9
191.10634	6.2
193.12247	54.8
211.13271	90.4
227.12621	6.4
233.84544	3.8
249.18657	3.5
261.22061	5.8
267.16061	4.1
277.21646	5.7
285.17004	11.2
301.21848	5.2
351.23428	3.8
355.17554	12.0
369.24265	6.3
387.25214	7.5
411.20111	4.9
443.27798	8.0
461.28745	3.9
545.38501	6.7
653.40735	8.4
671.41724	6.8
689.42566	87.3
690.42865	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	688.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.1
56.05016	6.9
56.14187	1.1
58.06581	1.4
60.04264	1.6
60.04526	16.9
67.05500	1.2
68.05022	1.5
69.03426	2.4
70.06592	26.0
70.10334	3.0
70.10736	3.0
72.07760	2.2
72.08152	38.5
74.06069	5.3
76.21909	1.3
79.05505	1.8
81.07029	1.6
83.04969	1.2
83.06096	3.3
84.04502	65.2
84.08133	9.4
85.02899	2.9
86.09697	17.4
87.05574	3.6
88.04004	2.5
91.05479	4.7
93.07043	2.2
95.04945	1.5
95.08652	1.1
96.08104	1.3
97.02858	1.7
98.06036	1.3
98.09690	1.6
99.05589	1.4
101.07137	68.7
102.05538	15.2
103.05449	2.4
107.04939	2.4
109.02865	1.8
110.07131	3.5
110.09697	1.9
112.03960	40.4
113.07133	1.7
115.08700	1.5
117.03366	1.4
119.04918	1.6
120.08090	14.2
121.02850	4.3
121.06506	2.9
121.08479	1.5
122.06054	6.5
122.06804	1.3
125.07110	2.3
127.72039	1.3
129.06592	41.9
129.10193	7.7
130.05000	16.8
132.10214	1.6
133.02898	1.5
134.04488	1.8
134.05948	2.2
135.04430	1.9
136.07579	6.5
137.05988	7.0
138.06317	1.5
138.09119	2.3
139.04977	1.5
139.08580	1.9
140.07059	5.4
141.03372	1.7
141.06546	2.3
142.03758	1.4
145.02840	4.6
145.04840	1.2
145.46410	1.0
147.04373	2.4
147.07658	1.5
149.05981	2.5
149.07137	1.4
150.05464	12.1
151.03871	1.9
151.07523	1.3
152.07037	2.9
153.06526	3.9
154.08597	1.6
155.11749	2.7
157.09749	1.3
159.09251	2.4
160.03941	1.4
162.05522	5.9
163.03877	2.0
163.05957	1.5
164.07027	2.6
166.08618	5.1
166.09781	3.7
167.06975	1.6
167.08151	22.5
170.09192	1.5
171.14954	2.3
173.12907	7.1
177.05464	9.1
181.06096	4.6
183.06256	1.3
184.10788	5.0
185.03033	1.2
185.09213	5.2
185.16548	1.3
186.08789	2.0
191.07011	5.3
192.06281	2.2
194.09280	14.5
195.07634	25.7
195.69733	1.1
197.10646	1.1
198.08693	4.3
199.07254	1.9
201.05351	52.3
201.12317	2.0
202.05725	24.3
202.11903	2.0
204.06563	1.5
212.10289	48.2
213.08688	3.6
216.09846	1.3
220.05258	7.0
221.05525	6.0
222.06615	1.5
230.11301	2.8
231.16971	2.3
235.07507	22.2
235.11508	1.2
236.07851	16.4
237.05469	2.9
240.09778	37.2
243.11191	1.1
248.04648	5.5
249.05145	6.2
250.05862	2.2
252.07593	2.5
258.10767	8.4
260.04523	1.8
261.12589	2.6
261.15802	1.3
263.07025	26.5
264.07379	23.0
264.09891	5.2
265.04953	6.1
265.08154	4.3
266.05301	4.5
266.08731	1.2
266.14981	3.1
278.11609	1.4
280.07239	10.3
281.07690	6.9
281.12372	1.8
291.06467	6.2
292.06796	7.0
295.09769	2.0
296.10001	1.9
300.19211	1.9
301.37683	1.4
305.12463	1.8
306.10928	3.9
308.06616	2.6
309.07065	2.4
313.10736	5.5
313.15121	4.1
314.10895	6.5
315.12878	4.2
318.38626	1.3
322.07867	1.8
323.09158	93.7
323.13321	10.1
324.09433	97.5
325.09689	5.3
327.08511	1.6
328.09006	1.8
331.16089	3.7
341.14545	100.0
342.14865	2.5
352.11871	1.7
353.10559	1.4
354.10370	2.0
359.11301	2.1
359.15604	31.0
362.10046	2.0
363.10583	3.3
392.11157	2.1
393.11484	2.6
412.21857	4.0
422.20114	1.8
427.82745	1.3
430.22858	4.4
440.21381	87.4
441.21423	3.7
458.15842	4.6
458.22266	24.7
459.16461	15.5
459.22635	2.3
460.16077	1.4
486.15430	12.8
487.15778	32.5
488.16696	6.0
489.17331	12.9
505.16782	3.8
516.16248	7.5
517.16876	33.3
518.16620	2.8
539.27838	2.0
557.29156	5.8
652.23285	3.7
657.24963	1.9
665.07520	1.3
689.26520	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45166	0.9
55.05502	1.8
56.27483	0.9
57.03426	2.5
57.23735	0.8
61.02927	7.2
67.05499	9.0
69.03418	3.7
69.07065	2.8
69.37241	1.1
69.37640	7.7
71.04980	1.6
72.08427	0.9
73.02897	4.5
75.83199	0.9
79.05482	3.5
81.03423	1.9
81.07049	5.4
83.04987	1.0
83.08604	1.1
85.02900	5.8
85.45930	0.9
87.04450	1.2
87.15324	0.8
91.03952	4.4
91.05474	3.3
93.07041	4.6
95.08610	3.9
97.02891	7.4
99.04469	0.9
101.02374	2.0
105.07034	1.2
107.08586	1.9
109.10141	6.1
119.08600	1.9
121.10163	1.4
127.03960	1.5
131.08603	1.4
135.11656	1.4
136.75533	0.8
145.10083	1.3
147.11629	0.8
173.11748	1.5
184.07387	0.8
195.09978	1.1
209.11717	0.9
243.08498	2.4
259.17035	2.1
288.82224	0.9
357.36935	0.8
413.17993	4.4
440.17297	0.9
453.66452	0.8
519.29242	9.7
519.36420	1.6
611.38599	1.0
691.40210	100.0
692.40601	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	687.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
56.05031	0.5
70.06592	5.6
71.59715	0.3
71.60122	0.4
72.08155	2.2
74.06075	0.5
77.96555	0.3
81.03394	0.4
81.07047	0.4
83.82700	0.3
84.04506	1.7
84.08146	2.2
85.02877	0.5
86.09715	3.6
87.05563	0.6
89.03886	0.4
91.05454	1.9
96.08096	0.3
101.07134	0.9
102.05541	0.6
105.07013	0.3
107.04948	1.3
110.07165	0.9
112.08775	0.4
115.05431	0.8
117.03386	0.9
119.04896	0.9
119.08566	0.4
119.58638	0.4
120.08096	2.3
121.02847	0.7
121.06492	0.7
123.04498	0.3
125.06024	0.4
129.10239	1.1
130.04974	0.5
132.04396	0.8
136.07607	1.6
137.05969	2.7
141.03354	1.3
144.04451	0.6
145.02806	1.4
145.06363	0.4
147.04428	0.5
147.44250	0.4
149.05943	1.5
151.03899	1.4
151.07486	0.4
152.07042	0.5
159.09192	0.4
160.03961	0.8
161.05933	0.5
162.05508	3.3
164.07127	0.5
166.08597	0.7
173.05902	0.4
173.12875	0.4
175.07516	0.3
177.05527	2.3
178.05763	0.5
191.07036	3.5
192.06625	2.3
201.05379	39.0
202.05812	1.4
205.06535	0.6
207.08008	0.7
209.05927	0.4
212.10132	0.4
220.05200	7.5
221.05673	0.5
226.04990	1.5
231.06479	1.3
233.05930	0.5
234.06731	0.6
235.07538	18.9
236.07874	0.7
237.05397	1.7
237.09181	1.0
244.05969	0.7
247.07281	0.5
248.04675	5.3
249.05424	1.8
250.06178	0.6
251.07027	0.6
252.07851	1.1
260.04651	0.9
263.07047	24.1
264.07635	2.5
265.04953	5.8
265.08554	2.1
267.06595	0.4
280.04208	0.5
280.07315	10.5
281.07852	0.4
282.08862	1.7
291.06525	8.1
292.06985	0.6
295.06564	0.4
295.09613	2.2
297.11221	2.0
299.09128	1.1
300.12396	0.3
308.06595	2.5
312.06323	0.6
313.10696	5.6
321.07556	1.8
321.11163	0.7
323.09128	100.0
324.09323	3.7
324.12427	0.6
327.08643	1.4
329.06738	0.5
341.14490	0.9
343.11951	0.4
344.08975	0.6
352.11734	1.3
353.10153	1.9
362.10251	3.0
364.12015	0.6
369.09723	0.7
380.11008	0.4
382.12625	0.5
392.11435	2.4
440.21356	0.7
458.16034	11.5
486.15475	21.4
487.15726	1.4
488.17068	8.9
489.17184	0.7
504.16586	2.0
516.16534	21.4
517.16577	0.9
534.17126	0.5
651.23077	1.7
668.03967	0.4
669.24622	0.6
679.97601	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	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	3.1
53.03940	19.2
55.01860	10.0
55.05507	35.4
57.03426	13.6
65.03934	3.6
67.05501	76.4
67.32263	2.9
69.03429	33.1
69.07061	19.2
70.29263	9.5
70.29677	7.4
71.04980	8.7
79.05489	77.0
79.34454	3.2
81.03414	100.0
81.07053	73.8
83.04984	20.9
83.08614	23.9
85.02901	20.0
91.05478	64.0
93.07040	80.5
95.04969	42.5
95.08605	42.9
97.02886	13.9
97.06522	8.5
97.10169	7.4
98.20891	3.6
99.04429	6.6
103.05470	3.8
105.07030	46.3
107.04944	13.2
107.08597	37.9
109.02883	17.2
109.06515	10.4
109.10140	20.0
111.04440	11.2
111.08092	8.2
111.47912	3.0
113.06010	5.0
115.05433	5.9
115.94502	2.8
117.07004	13.9
119.08578	34.0
121.06496	6.2
121.10134	29.1
123.04417	9.9
123.08074	4.3
123.11717	3.3
125.09621	6.2
127.03909	8.0
128.06258	3.9
129.06987	18.0
131.04929	3.6
131.08565	32.4
133.06503	6.1
133.10106	24.1
135.11668	18.4
137.09618	3.4
141.07051	3.1
143.08554	4.1
145.10095	19.9
147.08069	6.5
147.11670	21.2
149.09598	9.7
149.13206	3.1
157.10115	14.8
159.11705	12.3
161.13249	7.9
163.11176	10.3
165.12669	4.9
171.11671	4.7
173.13223	6.7
175.11107	15.9
181.12216	4.9
183.11794	3.7
185.13194	4.9
187.14767	5.2
191.10727	8.3
193.12231	43.3
195.11671	5.1
199.14880	4.1
211.13246	64.7
211.15045	5.3
227.12817	6.6
229.14247	3.8
235.13322	8.7
261.22116	5.1
267.15927	4.4
273.14877	7.5
277.14301	5.6
277.21570	4.2
285.16989	6.0
301.14230	4.3
335.25803	12.1
335.54016	3.2
337.16351	4.3
351.23239	5.6
355.17502	7.9
369.24539	5.4
387.25327	4.4
405.26379	4.7
443.27765	5.7
545.38354	10.4
548.81085	3.4
569.38330	4.5
653.39703	5.9
671.41125	7.0
689.42505	72.9
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
55.05506	9.8
57.07082	11.9
60.04525	20.3
67.05505	17.3
69.07067	12.3
70.74378	6.2
70.74728	4.1
71.08629	6.4
79.05486	12.2
80.05019	8.5
81.03423	5.2
81.07049	19.6
82.06568	8.7
83.04983	2.3
83.08620	8.9
85.10174	3.2
91.05405	13.2
93.07040	9.7
94.06546	12.7
95.04981	3.8
95.08606	18.5
96.08099	5.1
97.10151	5.8
98.06076	2.2
102.04947	2.5
102.05508	12.4
105.07028	9.1
107.08605	5.5
108.08116	7.6
109.10174	7.6
119.08579	7.1
121.10145	4.2
133.10144	6.9
135.11699	3.0
202.09258	2.2
242.24796	14.1
245.22667	6.4
262.25299	50.8
263.23697	9.0
266.24747	12.1
280.26309	15.8
326.21057	2.4
424.30276	2.4
486.46756	8.3
504.47498	9.7
546.48553	8.3
564.49847	27.0
606.50928	100.0
607.51025	5.2
624.51599	14.7
654.55310	2.6
666.52869	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	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55771	0.7
52.77911	0.6
55.05511	8.7
57.03434	11.4
57.07074	1.5
58.81018	0.6
59.05002	3.3
59.89991	0.6
61.02925	4.3
63.62070	0.6
65.03952	1.5
67.05502	85.1
68.05822	0.7
69.03429	0.8
69.07062	5.5
69.66817	1.6
69.67223	2.4
71.04995	2.6
79.05487	16.6
81.07053	32.8
83.04984	1.0
83.08621	7.0
85.02910	3.1
85.06546	2.7
91.03960	1.5
91.05478	9.9
93.07044	19.8
95.04987	1.6
95.08602	22.4
96.46743	0.7
97.02899	1.6
97.06544	1.5
97.10185	1.2
98.20708	0.7
105.07036	6.2
107.08590	11.7
109.06580	0.8
109.10151	70.9
110.10491	1.1
111.08092	2.5
112.84985	0.7
117.07011	3.0
119.08580	10.5
119.79607	0.6
121.10133	11.4
123.08098	0.9
123.11674	3.2
125.09631	1.5
127.03829	0.8
131.08574	5.1
133.10135	3.9
135.11700	6.2
137.09586	3.3
137.13240	0.7
139.11134	0.8
141.77895	0.6
145.10130	3.6
147.11668	3.8
149.13255	3.5
155.10638	4.1
159.11697	2.5
161.13271	2.8
163.14813	3.2
173.11748	24.6
173.13263	2.5
175.14801	1.2
177.16348	0.7
187.14859	1.1
189.11253	1.0
189.16231	1.0
205.15762	0.8
227.12758	4.3
229.14333	100.0
243.21132	5.5
261.22159	15.4
299.23788	0.7
317.24692	2.6
335.25787	67.0
336.26202	0.7
376.50436	0.7
379.29370	0.8
397.30930	1.6
415.32208	1.4
457.50009	0.7
471.34509	1.1
489.35751	40.4
490.35904	0.9
507.37292	3.3
718.64551	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	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01859	1.4
55.05508	11.6
55.37059	0.9
57.03429	13.0
57.07053	1.2
58.02744	0.7
59.04993	4.4
61.02910	5.4
65.03926	1.9
67.05499	100.0
68.05817	1.1
69.03419	2.3
69.07067	10.6
69.90715	1.6
69.91130	2.6
71.05003	3.9
79.05490	21.0
79.77425	0.8
81.03384	1.1
81.07049	38.4
83.04958	1.1
83.08619	8.6
85.02897	4.1
85.06519	2.5
91.03945	2.1
91.05471	14.9
93.07035	26.9
95.04957	1.6
95.08600	27.7
97.02881	2.6
97.06545	1.0
97.10146	1.7
99.04433	0.9
99.08097	1.2
105.07011	7.7
107.08582	14.3
109.06504	0.9
109.10148	77.7
111.08070	3.2
117.07006	3.0
119.08564	10.6
121.10133	13.0
123.11684	3.5
125.09607	2.4
131.08551	4.4
133.10107	5.3
135.11678	8.6
137.09598	3.4
145.10107	3.7
147.11681	3.1
149.13217	5.1
151.14830	1.0
155.10638	5.1
159.11708	3.8
161.13239	2.2
163.14864	2.3
165.25279	0.7
173.11751	20.7
173.13228	3.5
175.14801	1.1
177.16388	1.2
184.34148	0.8
187.14786	1.6
189.11200	1.4
207.39610	0.8
211.16814	0.7
227.12793	4.5
229.14331	88.5
230.14912	0.9
243.21118	5.4
261.22131	18.0
317.24738	3.2
335.25778	71.3
346.22955	0.9
379.29977	1.3
397.30975	1.1
418.18652	0.8
471.34805	1.6
489.35699	55.9
507.36813	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	681.1657
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03947	1.6
54.51855	0.3
55.01858	0.7
55.05506	0.6
56.05021	0.4
57.03438	1.6
61.02915	1.0
65.03944	0.3
68.99797	0.4
69.03429	3.9
69.07089	0.3
70.02950	0.3
70.06210	0.4
70.06587	6.1
71.04990	8.9
71.19436	0.3
71.59840	0.4
72.08150	1.5
73.02914	1.0
75.04463	0.5
79.05485	0.5
81.03417	5.4
83.04971	0.8
84.04491	1.0
84.08141	2.4
85.02901	17.4
86.09702	3.3
87.00834	3.3
87.04450	0.4
91.05464	1.6
93.07040	0.6
95.04939	0.7
97.02900	3.1
97.06506	0.4
99.04460	2.0
105.01862	2.2
107.04942	1.1
109.02876	4.8
110.07181	1.5
111.00777	0.5
111.04420	0.7
117.01878	0.8
119.04912	2.0
120.05266	0.5
120.08095	1.3
121.02856	2.0
121.06503	0.4
122.06055	0.4
127.03919	7.8
129.01807	0.3
129.05481	1.8
129.10229	1.2
135.04367	0.6
136.07565	1.6
137.02345	0.5
137.05960	1.0
140.07014	0.5
145.02858	0.8
145.04970	2.6
147.03160	0.5
147.04410	6.2
148.04782	2.0
151.03885	0.5
152.07024	0.8
153.01817	1.6
159.02888	3.0
163.03902	0.5
165.01836	1.0
165.62180	0.3
166.08586	0.5
168.10201	0.5
177.05446	1.3
183.02892	0.8
184.07378	0.3
206.08244	0.4
213.03745	0.5
213.05533	0.8
231.04906	1.1
231.06772	0.6
233.11638	0.4
249.11276	0.4
258.05435	0.6
259.06085	0.4
259.10797	1.3
287.05487	100.0
288.05856	2.5
299.05411	0.5
301.11774	1.0
311.05386	0.4
319.12936	1.6
329.06467	1.7
337.14093	0.5
353.06601	0.7
383.73627	0.4
397.09076	0.5
433.11340	0.9
481.45093	0.4
519.23047	0.3
535.10278	0.5
652.64221	0.4
663.26080	0.5
681.28821	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	682.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.3
55.01851	0.2
56.75079	0.1
57.03418	0.3
60.04531	0.2
61.02905	0.5
63.02356	0.2
65.47612	0.1
69.03425	1.5
69.90063	0.8
70.06594	1.3
72.08135	0.3
73.02905	0.2
79.05475	0.4
81.03391	0.9
84.04480	0.3
84.08114	0.4
85.02900	3.7
86.09683	0.5
87.04476	0.2
89.03911	3.4
97.02882	1.2
98.21629	0.2
99.04424	0.2
102.05540	0.2
107.04961	1.0
109.02860	0.5
110.07133	0.2
117.03369	4.3
119.04903	0.3
127.03922	0.7
129.10225	0.3
132.04408	1.3
135.04401	12.7
136.04816	0.2
137.05974	0.3
145.02832	10.0
145.04855	0.5
146.03177	0.2
147.04404	0.4
150.05487	7.1
150.06715	0.3
152.07053	0.3
163.03883	100.0
164.04184	0.6
177.05461	0.5
178.03578	0.2
178.04921	0.8
181.04947	0.2
183.29314	0.2
186.05547	0.2
186.39140	0.2
195.05136	0.2
196.06027	9.5
299.56946	0.2
307.08063	0.4
325.09146	0.7
358.08975	12.6
520.14398	1.3
711.32965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.143
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10294	1.9
70.69286	5.7
81.67748	1.9
112.32654	2.1
123.77816	2.0
133.88197	1.9
183.23485	2.0
213.82054	2.0
306.57297	2.0
343.04266	23.5
361.05112	2.3
379.06357	56.2
548.61560	2.1
567.13306	4.1
665.12469	2.7
683.14325	100.0
684.14624	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	684.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50297	0.4
52.64157	0.4
53.03940	2.7
54.50881	0.5
55.01863	1.3
55.05493	0.7
56.05017	0.6
57.03430	1.8
61.01115	0.4
61.02930	1.9
65.03909	1.0
69.03045	0.4
69.03425	7.4
69.07061	0.6
70.03603	0.8
70.04009	1.2
70.06588	7.7
71.04996	0.5
72.08152	1.7
73.02905	1.4
74.06048	0.5
77.03902	0.6
78.04713	1.6
79.05489	4.0
81.03412	62.7
81.07043	1.8
83.01320	0.5
83.05000	0.5
84.04495	1.4
84.08144	3.2
85.02899	17.8
86.06077	1.0
86.09707	3.6
87.00833	1.4
87.04474	0.9
91.03962	0.4
91.05466	7.4
93.07037	13.2
94.04210	0.7
95.04956	3.1
95.08606	0.5
97.02885	5.6
99.04459	1.9
102.05527	0.5
103.05466	7.2
105.01855	2.6
105.04544	0.7
105.07026	1.8
106.04179	1.4
107.04945	7.8
107.08595	6.9
109.02880	4.5
109.06498	1.1
110.06030	1.0
110.07175	0.5
111.04404	0.6
115.03925	0.4
115.05446	8.4
117.03399	1.0
117.07009	6.3
118.04164	0.8
119.04926	1.5
119.08556	0.8
120.08109	4.7
121.06495	39.6
122.03642	1.6
123.04434	4.5
124.05197	2.3
125.05955	0.7
127.03912	7.1
129.06979	0.9
129.10205	1.2
131.04924	5.5
132.05692	1.1
133.02953	0.4
133.06499	1.0
133.10143	0.4
135.04414	1.0
135.11681	7.5
135.12703	0.5
136.07571	1.2
137.05969	16.7
137.13210	0.5
138.09108	1.4
140.04675	1.5
143.04930	4.4
144.05670	2.6
145.02852	2.2
145.04965	3.8
145.06476	10.3
145.10062	0.6
146.03624	3.6
147.04410	1.5
147.08017	1.4
149.05971	0.9
150.05785	0.9
151.03905	3.0
152.04643	1.8
152.07039	1.8
153.05428	0.7
155.04915	0.5
155.06012	1.5
155.07062	1.6
156.05701	0.8
159.02858	1.8
159.04300	0.4
160.05179	9.0
160.06371	0.7
161.05986	7.4
163.03899	1.4
163.07527	4.4
164.07060	4.0
165.05501	0.6
167.07024	100.0
168.07323	0.5
168.10248	0.8
172.05180	3.2
173.05965	9.1
174.06683	0.7
175.07527	32.4
176.04626	0.7
177.03934	0.4
177.05444	5.8
177.09004	1.1
178.07756	0.7
179.07021	0.7
181.04883	1.0
187.07526	21.4
188.08205	0.6
189.05412	0.8
190.06244	3.6
191.07021	3.2
192.07860	0.8
193.08525	0.7
195.07948	0.5
197.07996	0.6
201.05452	3.7
203.06985	1.3
205.06709	0.3
205.08563	7.7
206.07219	0.8
207.06485	0.4
207.08260	0.8
207.10037	1.0
213.03883	1.1
217.06554	0.7
217.08589	2.5
218.08176	0.5
219.08017	0.6
220.08713	0.7
221.09706	0.8
222.11165	0.4
223.07530	0.4
231.04910	1.4
231.06599	1.3
233.08070	2.2
234.06738	1.4
235.09633	55.3
236.10002	0.5
237.09047	0.5
241.08598	0.5
244.09601	0.8
247.07468	0.8
248.08531	0.6
249.06235	0.6
249.09082	3.0
251.07016	1.1
261.07440	0.6
263.07004	1.1
265.08673	0.8
266.09360	1.5
267.10083	0.5
269.08420	0.4
273.05896	0.5
277.08600	3.0
278.09476	0.8
279.10031	0.6
281.08734	0.6
281.11578	2.3
289.10629	2.9
292.07230	0.4
294.08902	0.8
295.09637	1.3
307.09454	0.7
309.11182	3.7
310.11938	0.5
326.11490	2.0
327.12347	0.6
328.11771	1.3
338.13507	1.9
339.12225	1.7
341.10257	0.6
341.13794	12.9
342.13730	0.6
355.11652	1.2
367.11649	0.9
368.14917	4.1
370.16605	3.8
372.14352	0.4
385.12860	1.6
398.15988	9.5
416.16888	2.2
474.24481	0.5
492.19974	1.3
504.20352	2.7
507.26590	0.4
522.21198	50.6
523.21069	0.5
532.21313	0.5
684.28015	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	679.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12291	1.1
53.03933	2.2
55.01855	1.4
55.05504	21.5
57.03429	7.9
57.07072	10.8
59.19012	1.1
59.76783	1.2
61.02919	18.9
65.03935	2.1
67.05499	84.2
69.03432	2.1
69.07060	30.6
70.06584	2.2
71.04978	3.2
71.08630	8.0
71.51720	1.9
73.02901	6.9
75.04456	3.1
79.05025	1.5
79.05482	28.1
81.03412	3.1
81.07047	100.0
82.07362	2.0
83.04971	3.0
83.08610	23.5
84.08065	1.2
84.08949	1.2
85.02894	20.7
85.06506	3.4
85.10178	2.2
87.27541	1.4
88.07619	2.8
91.03946	20.4
91.05475	20.5
93.07036	29.0
95.04953	2.0
95.08597	89.3
97.02878	7.7
97.06527	6.7
97.10153	13.2
99.08089	3.3
102.09195	2.1
105.07030	13.8
107.08578	17.6
109.02876	1.5
109.10146	41.8
111.08089	3.8
111.11712	4.7
113.09579	3.0
115.03885	1.4
119.08572	15.8
121.10129	22.8
123.11706	24.6
125.09646	2.9
125.13242	1.6
125.42049	1.4
127.03928	6.7
127.11203	1.6
131.08539	2.1
133.10133	20.0
135.11681	13.4
137.09579	2.8
137.13272	9.8
139.11185	1.9
141.12753	4.0
145.04951	8.4
145.10056	2.3
147.11647	12.7
149.13246	10.3
151.11227	1.4
151.14810	7.5
155.14301	3.2
161.13231	15.2
163.06007	11.7
163.14793	9.4
165.12828	1.4
165.16386	8.7
175.14810	11.4
177.16502	2.6
179.17900	7.1
181.15866	1.5
189.16327	5.2
193.04927	2.3
203.17969	1.8
217.19591	2.9
245.22620	63.3
249.70615	1.3
256.26285	3.3
257.26785	3.0
263.23679	90.3
264.24194	1.5
281.25012	1.9
292.99994	1.3
302.48215	1.4
337.27332	67.3
338.27795	1.4
355.28482	6.6
371.26047	1.4
406.91092	1.3
431.19571	1.3
463.30811	1.6
499.32803	5.4
678.54175	2.7
679.54779	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	680.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.6
55.01870	5.7
55.05507	35.5
57.03424	6.3
67.05501	89.0
69.03426	32.4
69.07069	28.4
70.70663	5.6
70.70987	12.1
71.04981	10.0
79.05488	69.5
81.03403	37.9
81.07046	93.3
83.04970	19.5
83.08607	17.9
85.02904	28.9
91.05476	63.0
93.06505	7.0
93.07041	100.0
95.04943	18.4
95.08610	72.7
95.39696	4.9
97.02853	16.1
97.10189	6.1
99.04457	7.8
99.08093	7.4
100.11220	6.1
105.07022	48.9
107.04924	6.6
107.08594	60.9
109.02839	11.6
109.06483	9.8
109.10143	36.4
111.04422	16.1
114.66750	5.6
114.87125	5.1
117.07007	23.9
119.08569	48.2
121.06511	12.1
121.10126	38.7
123.04441	5.4
123.08049	9.8
123.11720	12.0
125.09560	5.0
127.03899	13.4
129.05426	7.5
129.06981	16.6
131.08562	47.2
132.66510	4.9
133.06435	7.4
133.10094	29.8
135.07997	8.5
135.11661	44.8
137.09593	30.0
139.07491	5.2
141.07001	7.2
142.26404	4.8
143.08566	12.9
145.06361	7.4
145.10089	31.7
147.08023	10.6
147.11682	21.1
149.13231	12.9
155.08528	12.5
157.10107	20.9
159.11696	37.1
161.13217	16.3
169.10110	8.8
171.11667	15.3
173.13245	15.2
175.11220	5.8
175.14772	7.2
177.12796	31.7
183.11668	6.7
185.13237	13.4
187.14784	10.8
195.13812	41.3
197.13254	10.1
199.14757	7.9
201.12747	9.1
205.12184	7.4
209.13371	6.1
213.12859	7.2
223.13228	21.1
241.14442	11.6
259.20605	8.3
261.22104	14.5
277.21552	11.2
283.16757	5.7
285.21964	7.8
291.22903	6.7
301.21646	10.7
303.23083	17.4
315.23044	7.9
320.24759	5.4
341.24692	10.9
351.23099	16.3
359.25693	7.6
369.24286	47.3
387.25296	43.3
405.26468	37.3
410.56195	4.9
423.27533	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	680.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.3
57.03433	6.6
57.07061	5.4
61.02924	29.8
65.03941	4.0
67.05504	70.2
69.03418	6.1
69.07063	9.4
70.06522	2.7
71.51361	3.6
73.02911	11.5
79.05093	2.9
79.05495	47.0
81.06596	5.6
81.07054	78.4
83.08607	10.1
85.02909	32.2
85.06508	3.6
91.03947	26.6
91.05473	22.5
93.07043	60.1
95.04959	5.9
95.08607	62.4
97.02882	15.2
105.07040	21.8
107.08587	49.6
109.10162	35.3
117.06999	8.6
119.08569	20.2
121.10149	37.2
123.11692	16.7
127.03889	11.1
131.08557	20.7
133.10144	18.3
135.11685	33.5
137.13283	3.9
139.11157	5.3
145.04948	12.2
145.10092	18.7
147.11676	19.2
149.13248	25.3
151.11111	4.0
159.11644	19.9
163.05984	16.4
163.14798	11.9
165.12750	4.1
173.13249	14.1
187.14809	6.5
219.21016	3.6
229.19496	43.6
231.20313	2.6
247.20558	100.0
289.86322	2.8
313.62506	2.7
321.24213	38.2
339.25305	54.0
376.40131	2.9
483.29263	5.5
608.03308	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	679.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.6
66.10333	1.3
67.05486	1.8
69.50419	10.9
70.06592	3.9
79.05493	3.5
80.05003	2.0
81.07086	1.7
82.06569	2.0
86.09692	2.2
91.05487	2.5
93.07040	2.8
94.06573	9.0
95.04963	1.8
95.07346	5.5
96.08128	16.2
97.06493	1.8
100.11243	2.6
106.06563	5.1
108.04443	1.5
108.08126	17.6
110.06046	2.9
110.09676	22.1
116.04958	3.8
120.04463	3.9
120.08109	17.3
121.34229	1.5
122.06026	8.1
122.09636	1.6
124.07595	14.8
132.08128	1.9
134.06032	3.7
134.09639	3.8
136.02429	1.5
136.07581	23.5
138.05493	2.4
138.08144	2.8
138.09138	37.4
140.06996	1.6
140.80142	1.4
144.04445	5.5
146.06012	22.0
146.09616	1.6
148.07593	12.6
150.05537	2.8
150.09132	8.7
152.07082	20.9
158.05942	1.7
160.03954	2.1
160.07587	3.2
162.05492	4.2
164.07024	9.8
166.08633	79.1
172.03947	20.6
174.09174	1.6
176.07091	3.2
190.04965	20.1
197.10713	3.2
198.11443	4.7
199.12294	3.6
204.06551	31.2
209.10684	3.0
210.11522	5.6
211.12355	7.7
212.13045	2.7
213.13643	2.0
218.08147	4.1
220.09862	1.9
221.10744	2.0
222.11418	2.0
222.52994	1.8
223.12341	5.5
224.09442	1.9
224.12819	1.7
225.10254	7.3
225.13742	1.7
226.10883	3.4
227.11774	4.5
235.08542	3.2
235.12315	2.9
237.10194	11.8
237.13948	2.5
238.11052	8.7
238.13164	1.6
239.11734	14.1
240.12512	2.2
241.13295	2.9
243.11276	1.9
246.07547	3.4
248.09398	3.2
249.10222	13.4
250.10979	8.4
251.08195	1.7
251.09200	2.1
251.11749	18.4
252.08839	1.6
252.12668	4.3
253.09737	3.0
253.13280	7.8
255.11032	3.1
256.12021	4.5
257.12820	3.7
259.14352	1.9
261.10318	1.9
262.11188	2.0
263.08817	2.3
263.11813	32.7
264.08914	4.4
264.12436	7.4
265.09763	8.2
265.13293	15.1
266.10510	6.4
266.13800	1.8
267.11288	12.6
268.12079	1.6
269.12900	7.7
271.10907	1.9
271.14426	5.0
273.12384	4.2
275.11777	2.8
276.08624	2.2
277.09747	4.2
278.10425	4.9
279.08405	2.7
279.11273	31.0
280.11978	4.0
281.12869	11.0
282.09991	2.3
283.10818	4.1
283.14072	1.5
284.11392	5.0
285.12363	19.7
286.76685	1.6
287.13855	3.4
291.11285	24.2
292.12109	5.6
293.09561	1.7
293.12787	25.8
295.10803	4.6
295.14124	1.6
296.11691	2.7
297.12323	50.7
298.13055	7.7
299.10690	2.8
299.13907	26.5
305.09555	2.1
305.14764	2.0
307.10626	3.9
309.12308	28.8
310.12881	4.0
311.10226	4.7
311.13889	13.2
313.11990	2.0
315.13385	37.6
315.17163	2.1
317.15143	1.4
318.15768	2.2
319.10684	18.7
321.12277	6.4
323.10358	9.9
323.16318	3.3
325.11786	35.6
326.12097	2.1
327.13373	7.7
327.16702	1.6
337.11801	90.5
338.12115	2.1
339.13354	8.6
341.11273	3.5
343.13077	4.8
344.14053	2.0
357.14447	10.8
358.15503	3.2
362.18616	2.2
369.14456	5.6
371.16040	3.5
373.13934	5.2
375.19748	1.6
386.14923	1.6
392.19446	2.2
398.14914	3.4
399.15652	1.8
401.13431	10.1
404.19894	2.0
416.15738	4.5
420.19028	2.0
422.16782	2.2
430.17703	2.8
432.18738	4.2
444.19366	2.4
446.15958	2.2
446.20898	5.3
448.18613	3.3
449.19418	4.5
450.20392	8.6
458.17014	3.3
462.20212	9.4
464.22028	73.9
465.22473	3.0
472.18661	2.2
474.20490	2.2
476.18057	10.5
477.18011	1.6
482.19186	3.0
490.19727	100.0
491.20166	5.4
492.21417	3.6
508.20813	8.6
514.21741	2.2
522.22357	49.7
523.22852	3.4
587.24573	5.7
603.27997	2.3
611.25006	15.2
629.25806	19.2
647.27106	30.3
679.29614	4.4
679.51044	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	679.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07441	1.7
70.06601	2.3
70.96237	4.6
79.05482	2.7
82.06589	2.4
91.02601	1.9
91.05491	2.0
93.07053	4.8
94.06552	7.5
95.04971	2.9
95.07310	2.1
96.08133	11.9
106.06541	4.8
106.28777	1.7
107.07322	2.9
108.08108	12.9
110.09684	21.4
118.06519	2.3
120.04475	3.3
120.08102	17.7
122.06023	6.8
124.07572	11.3
134.06073	2.4
134.09656	2.5
136.07570	18.9
138.09146	29.1
144.04453	4.8
146.06009	21.5
148.07568	9.8
150.09131	8.8
152.07062	14.5
162.05527	2.4
164.07065	6.6
166.08649	69.6
172.03925	17.3
174.05511	2.4
176.07094	2.3
184.09943	2.6
190.05028	12.2
198.11511	4.8
204.06549	28.2
205.06821	2.6
210.11436	3.5
211.12292	5.8
212.13069	2.4
223.12306	6.1
225.10240	4.4
225.13899	2.5
226.10886	3.6
227.11748	5.1
235.12230	2.4
236.09473	3.3
237.10237	7.5
237.13849	2.3
238.11043	7.4
239.11777	9.6
248.09444	3.3
249.10152	11.2
250.10942	7.5
251.11855	13.1
252.12440	4.6
253.09843	2.6
253.13359	7.1
255.11490	2.5
256.11960	3.3
263.11804	31.1
264.08722	3.5
264.12466	6.0
265.09705	5.8
265.13336	13.8
266.10370	3.3
267.11279	13.3
267.14819	2.5
269.12915	4.2
271.14194	3.3
273.12363	4.1
277.09738	4.6
278.10428	4.7
279.11276	26.8
280.11990	3.6
281.12885	12.1
282.09903	3.7
283.10733	3.7
284.11392	2.6
285.12314	14.5
287.13791	4.2
291.11276	24.8
292.11996	7.0
293.12814	22.5
295.10944	4.4
295.14096	2.5
296.11572	2.9
297.12329	45.7
298.12973	3.6
299.13916	22.4
309.12296	27.0
311.10416	4.3
311.13849	11.9
315.13425	27.7
319.10703	19.2
321.12259	7.7
323.10120	6.7
323.16205	3.1
325.11853	30.3
327.13303	6.1
337.11835	83.8
338.12216	4.2
339.13391	3.9
341.11209	3.0
346.18994	2.1
357.14456	9.0
369.14383	5.4
373.13760	4.1
400.20987	2.2
401.13312	7.1
416.15701	2.8
420.19250	3.4
432.19141	3.3
446.20947	4.7
449.19272	3.6
450.20059	5.5
462.20303	10.9
464.22037	65.5
472.18427	4.1
476.18002	6.0
490.19751	100.0
491.20471	2.7
492.20963	3.1
508.20425	7.4
522.22357	64.0
578.69061	2.1
587.24872	3.2
603.28223	3.0
611.24921	11.2
629.25769	13.9
647.27057	38.7
652.65979	2.2
679.29633	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	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36388	1.1
67.05512	1.4
70.06583	4.4
70.14912	5.5
72.08160	2.0
79.05479	1.7
82.06532	1.4
86.09684	2.6
91.05497	1.6
93.05812	1.8
93.07021	3.2
94.06558	6.3
95.07348	2.8
96.08131	7.7
108.04445	2.7
108.08107	13.3
110.05992	1.4
110.09676	12.0
116.04980	2.1
118.06590	1.8
120.04463	4.1
120.08119	11.4
122.06030	5.3
124.07572	9.7
134.06001	4.0
136.07576	11.3
138.09137	13.8
144.04480	4.6
146.06017	4.1
148.07553	3.4
152.07072	2.8
160.03937	2.8
162.05525	3.8
164.07031	2.4
166.08641	15.1
172.03926	19.1
174.05495	2.5
176.07100	3.4
178.04997	1.2
190.04979	18.5
195.09120	1.3
197.10756	2.2
204.06557	34.1
204.08495	1.8
211.08623	1.5
212.09442	1.6
213.10213	4.5
215.11749	2.7
224.09433	1.3
225.10269	3.9
226.08717	1.4
226.10889	1.2
227.11754	2.2
235.08762	1.5
237.10219	4.9
238.11015	4.3
239.11775	2.2
241.09776	3.2
243.11285	14.9
249.10283	2.2
250.10939	3.1
251.11856	3.3
253.09724	2.7
255.11250	2.9
263.11835	2.5
264.08981	3.6
265.09692	3.0
266.10239	1.4
267.11218	1.5
269.09189	3.9
271.10770	3.6
273.12393	4.7
277.09698	2.6
279.11298	5.5
283.10815	5.7
285.12347	22.3
287.10358	6.9
291.11090	1.9
295.10663	2.0
297.12292	8.9
299.13977	4.2
301.11945	3.6
302.12762	4.0
303.13370	24.8
307.10873	2.7
309.12418	2.8
311.10233	2.0
313.12036	1.8
316.14438	1.9
317.14886	1.8
318.12582	2.0
323.10248	5.9
325.11850	27.1
326.12711	2.0
327.13541	3.4
330.12268	2.7
339.13242	1.9
340.14426	1.8
341.11636	1.3
342.12442	2.3
343.12933	6.0
344.13940	3.0
345.14563	2.6
346.15518	1.8
347.16534	1.7
354.12250	2.1
355.12949	2.0
356.14072	2.9
357.14557	12.0
358.15515	4.9
359.16287	1.5
368.13809	2.0
369.14606	1.6
370.11807	2.0
371.12759	3.1
372.13330	4.4
373.14441	2.5
374.15012	1.9
376.16510	1.5
381.10953	1.4
384.13153	2.1
385.14294	1.5
386.14966	8.5
387.15506	3.8
388.16653	1.6
400.12430	2.7
401.13330	2.4
402.14429	1.9
404.15909	4.6
406.17593	2.6
410.14938	1.6
413.14514	1.6
414.14514	10.7
415.15265	15.5
416.15555	2.2
418.17755	3.1
418.75226	1.3
420.15591	3.6
424.77237	1.4
428.16116	3.4
430.17462	2.9
432.15573	15.7
438.15198	1.7
444.15405	3.2
446.17014	3.6
456.15619	7.3
462.16498	13.7
464.18472	1.5
474.16602	43.0
476.17792	2.1
488.18304	2.8
489.59521	1.2
494.19052	1.8
506.19275	7.9
520.20947	6.7
522.22253	2.2
581.24109	2.5
583.25476	2.9
585.23315	4.3
599.24701	3.2
609.23419	11.2
627.24487	100.0
628.24548	3.4
641.26074	3.3
645.24896	1.8
659.26904	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	677.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24942	1.4
53.03956	2.7
55.01870	2.6
55.05505	17.7
57.03436	8.9
57.07068	3.9
58.14584	1.1
59.06991	1.1
61.02922	19.1
65.03927	2.2
65.92193	1.2
67.05502	91.1
69.03434	3.4
69.07065	15.6
71.04992	2.0
73.02927	6.8
73.03257	1.3
79.05492	46.1
81.03410	2.9
81.07051	93.3
83.04983	1.7
83.08607	7.8
85.02438	2.1
85.02900	21.9
85.06528	4.3
91.03944	18.4
91.05470	23.2
93.07037	62.3
94.07307	1.2
95.04951	3.6
95.08604	73.0
97.02873	9.3
97.06499	2.2
97.10168	3.7
98.20757	3.5
99.04434	1.5
99.08094	3.2
105.04475	1.9
105.07013	20.6
107.08591	37.5
109.06504	2.7
109.10149	42.3
110.28593	1.2
111.08051	2.6
113.09641	1.6
117.07002	8.3
118.92254	1.2
119.08566	15.9
121.10140	36.6
123.08064	2.5
123.11697	20.3
125.09641	1.6
127.03886	7.1
131.08559	21.5
133.10124	16.5
135.11687	31.8
137.09586	1.2
137.13213	8.2
145.04950	10.7
145.10124	16.9
147.11661	12.6
149.13243	22.5
151.11145	2.4
151.14821	2.5
155.73347	1.4
159.11694	14.9
161.13284	12.2
163.06020	11.5
163.14836	16.1
171.11800	1.3
173.13258	16.5
175.14868	5.0
177.12737	2.0
177.16351	7.6
179.14296	2.8
187.14865	10.2
191.14310	3.5
201.16371	4.5
205.15869	2.6
215.17982	2.0
219.17455	1.7
233.22655	4.1
243.21077	32.7
261.22131	100.0
262.22540	1.7
279.23193	5.8
335.25766	32.3
353.26828	32.0
383.51520	1.4
479.29984	1.6
497.31049	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73762	0.8
53.03933	3.0
55.01864	1.2
55.05510	15.0
57.03441	4.4
57.07078	4.1
61.02923	26.7
65.03934	1.8
67.05502	75.8
69.03428	4.8
69.07060	13.5
69.40696	8.1
71.04993	3.2
71.08617	1.4
71.20568	0.8
73.02917	10.8
77.03902	1.0
79.05489	49.7
81.03420	2.5
81.07052	78.6
83.04965	1.8
83.08605	7.7
85.02901	28.5
85.06522	3.0
85.10169	0.8
91.03953	25.1
91.05477	26.9
91.89252	0.8
93.07042	65.5
95.04958	3.7
95.08604	61.2
95.09085	1.2
97.02892	14.3
97.06528	3.7
97.10166	3.5
99.04461	1.6
99.08092	2.8
105.06322	1.1
105.07025	20.8
107.08585	42.7
109.02879	1.6
109.06504	1.7
109.10153	34.9
111.08054	2.8
111.11744	1.2
113.09621	1.1
117.00793	0.9
117.07002	11.1
119.08582	19.3
121.10142	37.3
123.08078	1.7
123.11706	18.7
125.09650	1.0
126.94851	0.9
127.03918	10.4
127.11171	1.3
129.07021	0.9
130.07791	0.8
131.08560	26.0
133.10126	15.3
135.11682	27.7
137.09610	1.7
137.13249	7.1
139.11130	2.5
143.08516	1.0
145.04962	12.1
145.10130	17.1
147.11687	11.5
147.94016	1.1
149.13255	21.6
151.11176	1.7
151.14790	1.4
153.12741	1.4
153.94995	0.8
159.11687	15.6
161.13258	11.5
163.06006	16.7
163.14822	14.2
165.12773	2.8
167.14360	0.9
173.13269	16.3
175.14764	4.9
177.12691	1.8
177.16414	4.6
179.14319	2.1
187.14803	8.5
189.16429	1.0
191.14330	2.1
201.16400	4.1
205.15878	2.3
219.17447	1.5
233.18909	1.1
233.22588	4.5
241.11208	0.9
243.21082	33.5
256.26428	1.1
261.22122	100.0
262.22458	2.3
263.23691	2.0
279.23166	3.0
335.25821	18.3
338.67603	1.3
353.26846	26.6
353.30978	1.9
369.24045	0.8
468.91501	1.0
497.30923	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	675.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	0.4
69.07080	0.3
69.26501	1.4
69.26923	2.2
70.06589	1.1
72.08155	0.4
79.05479	0.7
81.07050	0.4
82.06586	0.3
84.08146	0.6
86.09708	0.8
91.05477	0.9
93.07032	0.9
94.06557	1.6
95.07332	0.9
95.08605	0.3
96.08134	2.1
108.04452	0.3
108.08115	2.4
110.09683	3.7
120.04469	1.4
120.08096	2.9
122.06021	1.0
122.09652	0.7
124.07590	1.2
134.06053	0.4
136.07568	2.7
137.05984	0.8
138.09149	6.4
144.04430	0.4
146.05972	0.5
148.07585	1.1
150.09171	0.7
151.06343	0.3
152.07082	1.6
152.10701	0.6
162.05531	0.7
163.00110	0.3
164.07047	0.5
166.08624	6.4
166.09947	0.4
168.10217	0.3
172.03932	2.8
176.07045	0.4
176.10724	0.4
176.32292	0.3
180.10226	0.7
182.11800	0.5
190.05023	0.6
192.06508	0.4
192.10188	0.6
194.08159	0.7
196.09637	0.5
197.10686	0.7
204.06546	5.4
211.08760	0.4
211.12300	0.4
212.09456	0.4
213.10236	0.6
223.08612	0.7
224.09462	0.5
225.10182	2.3
226.10968	0.7
227.11870	0.8
235.08678	0.4
236.09286	0.6
237.10187	3.2
238.11063	0.9
239.08110	0.9
239.11746	2.0
241.09645	0.6
241.13297	0.3
245.12817	0.5
248.09215	0.6
249.10271	2.1
250.11066	1.1
251.08168	1.2
251.11774	2.9
252.08881	0.6
252.12541	0.5
253.09695	2.5
254.10495	0.6
255.11203	0.3
261.10236	0.9
262.11078	0.6
263.08237	0.5
263.11804	0.8
264.09097	0.3
265.09738	3.9
265.13477	0.5
266.10452	1.0
267.11307	3.5
269.09357	0.4
269.12845	0.9
271.10764	1.6
271.13785	0.3
277.09750	1.3
278.10489	1.9
279.07745	2.0
279.11322	5.1
280.12048	1.0
281.09277	1.2
281.12869	1.0
282.09940	0.8
283.10721	3.5
283.13675	0.4
284.11591	0.7
285.12402	0.9
287.13870	2.6
289.09680	1.5
291.11261	1.4
293.09177	1.6
293.12894	1.7
294.10016	2.3
295.10690	2.2
295.37500	0.3
296.11636	1.0
297.08929	0.6
297.12363	1.7
298.09717	0.5
299.10303	1.3
299.13855	0.4
306.09818	0.3
307.10840	1.2
308.11343	0.6
309.12366	1.5
311.10275	4.3
311.13947	0.9
312.11008	1.8
312.14319	0.4
313.11823	1.7
314.12741	1.3
315.13568	0.6
317.09213	0.5
321.12466	0.5
323.10248	0.8
323.13959	0.8
324.11008	1.3
325.11826	2.4
326.12595	2.6
327.13394	5.1
335.10226	3.3
337.11801	0.8
339.13379	25.6
340.10422	1.3
340.14081	0.9
343.12875	0.4
352.10617	0.8
353.11374	0.8
354.12158	2.0
355.12936	6.4
355.55927	0.4
356.13950	0.7
357.14526	1.6
358.15173	0.5
367.12854	11.7
369.14896	0.6
370.15414	0.4
371.11945	1.4
371.16370	0.7
383.12732	0.3
384.13312	0.6
385.14023	0.5
386.14923	1.3
387.15457	1.5
398.15088	0.9
399.15546	4.3
400.16766	0.6
404.16187	0.6
414.18481	0.4
416.16019	1.3
446.16772	0.4
447.17899	0.8
451.20993	0.8
458.17084	1.6
460.18805	0.8
464.21393	0.4
470.17453	0.4
474.20084	0.6
479.20474	1.7
488.18222	1.5
490.20074	0.7
492.21173	2.6
502.20087	0.4
520.20801	8.1
521.21106	0.4
552.23395	100.0
553.23932	3.9
570.34570	0.3
607.22247	0.4
611.24915	4.6
625.22906	0.4
643.27411	1.1
657.25610	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	677.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71577	0.8
60.47869	0.8
67.05495	0.9
69.03429	2.1
69.07081	1.3
70.06586	10.0
71.06912	1.1
71.60120	1.3
72.08145	2.5
73.69181	0.8
79.05490	3.3
80.73397	0.7
81.03415	1.3
82.06568	1.3
84.04474	1.5
84.08122	2.7
85.34552	0.8
86.09700	5.1
89.03917	1.4
91.05472	3.7
93.05804	1.9
93.07039	3.8
94.06561	7.1
95.04968	2.1
95.07366	4.0
96.08129	10.5
97.06529	1.1
98.97565	1.0
103.05444	1.1
106.06537	1.9
108.04468	3.4
108.07440	1.2
108.08121	14.1
109.02896	1.3
110.06053	1.0
110.07135	1.6
110.09676	14.2
116.04965	2.3
117.03393	2.8
118.06512	0.8
119.04987	1.1
119.57582	0.8
120.04467	4.0
120.08105	15.4
122.06033	6.4
124.07584	9.9
127.03931	1.0
129.10246	1.4
132.04436	0.8
132.08032	0.9
134.06017	3.0
135.04465	1.0
136.07576	15.7
138.05562	1.0
138.08136	1.4
138.09140	17.4
139.21910	0.7
144.04427	6.0
145.02838	6.7
145.06552	0.9
146.06020	6.4
148.07568	5.7
149.05916	1.3
150.05559	1.0
152.07001	4.0
159.09097	1.0
160.03931	2.9
160.07565	2.0
162.05492	4.7
164.07045	3.7
166.08627	17.4
168.08037	1.3
168.10245	1.0
171.81389	0.8
172.03934	23.3
174.05486	3.0
176.07063	5.1
177.05466	12.9
185.10742	1.8
190.04984	24.9
197.07111	1.1
197.10748	1.0
198.07730	1.3
199.08653	2.1
201.10280	0.9
204.06557	43.0
209.10698	1.1
210.11311	0.9
211.08687	1.9
212.09328	1.7
213.10228	4.6
215.11787	3.5
223.08713	1.5
223.12175	0.9
224.09471	1.6
225.06543	1.2
225.10127	4.4
226.08725	1.9
226.11047	1.0
227.08173	0.9
227.11798	3.0
228.12387	1.0
229.13298	0.9
235.08632	1.6
236.09354	2.7
237.10168	3.2
237.93462	0.9
238.10939	2.4
239.08110	1.2
239.11717	2.2
241.09746	3.1
243.11276	14.8
245.12816	1.1
247.08630	1.0
248.09560	1.3
249.10231	3.6
250.11058	2.7
251.08195	1.3
251.11815	2.8
252.09070	1.9
253.09734	2.7
255.11253	3.1
256.11966	1.6
257.09238	0.9
257.12793	1.9
259.10822	0.9
263.08240	2.5
263.11725	1.7
264.09003	2.5
265.09637	3.1
266.10254	1.2
267.11273	2.4
269.09116	3.9
271.10803	2.9
273.12381	5.4
277.09784	2.5
279.08563	1.1
279.11200	6.3
281.09317	1.9
281.12906	1.6
282.09976	1.4
283.10736	6.1
284.11441	1.0
285.12338	30.0
287.10239	8.5
291.11240	1.2
293.09409	1.4
294.09756	1.0
295.10617	1.4
296.11676	1.1
297.12296	10.2
299.10385	2.5
299.14029	3.9
300.11798	1.1
300.15082	1.0
301.11719	3.9
302.12714	2.6
303.10056	1.6
303.13412	27.0
304.14252	1.4
307.10745	1.8
309.08820	1.0
309.12271	2.1
313.12054	2.5
314.12918	1.7
314.16464	1.9
315.09631	1.0
316.10867	1.7
316.14468	1.4
317.15308	1.2
318.12518	1.2
318.15857	1.4
323.10263	7.7
325.11829	30.3
326.13022	1.4
327.10071	1.0
327.13535	4.5
328.14575	1.2
329.11407	2.3
330.12347	2.8
331.12930	1.4
332.14032	1.0
337.11801	2.6
339.10233	1.3
339.13852	1.9
340.14520	1.1
341.11954	1.1
342.12662	1.8
343.12903	9.3
344.13971	2.7
345.14911	1.4
346.15503	2.1
347.16190	1.6
353.11282	1.2
353.15256	1.1
354.12183	1.6
354.16025	1.4
355.09183	1.8
355.13077	2.3
356.13907	3.0
357.14557	13.1
358.15558	5.2
360.13342	1.3
367.12900	2.5
368.14026	1.4
370.11807	1.8
371.12604	3.8
372.13351	4.7
373.14273	2.5
374.14990	2.3
376.16367	1.1
378.18295	1.4
381.10712	1.9
385.14352	2.5
386.14957	10.0
387.16159	4.7
390.18179	1.0
392.15878	1.5
394.17584	1.8
396.13519	1.5
398.14890	1.3
398.19693	1.0
400.04749	0.9
400.16721	2.7
401.13519	1.2
402.14316	3.7
403.15152	1.0
404.16074	5.0
406.17505	3.2
406.96713	0.9
410.15070	1.4
412.16608	1.8
413.13895	1.8
414.14447	12.8
415.15317	21.4
416.15839	3.5
417.16904	1.4
418.17493	2.8
420.15515	3.2
426.14206	1.8
428.15823	3.8
430.17349	4.3
432.15524	15.4
433.16006	1.2
438.15277	1.5
444.15262	4.2
446.17151	4.8
456.15506	9.3
462.16531	19.0
464.18539	1.8
474.16626	44.2
475.17075	2.1
476.17358	2.1
488.18237	1.7
494.19199	2.3
506.19232	11.8
520.20874	7.5
522.21967	1.8
567.22162	1.2
581.23804	4.0
583.25110	2.0
585.23468	7.1
599.24951	3.9
609.23523	11.2
627.24475	100.0
628.24750	4.6
641.25793	2.5
645.25104	1.7
659.27045	4.4
677.22943	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	675.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12053	0.2
67.05465	0.3
70.06558	0.4
73.78648	0.2
79.05430	0.8
80.04976	0.2
82.06567	0.3
84.04474	0.3
86.09673	0.3
91.05441	0.7
93.06981	1.1
94.06554	1.6
95.04940	0.3
95.07301	1.1
95.08533	0.3
96.07596	0.2
96.08128	3.4
96.08739	0.4
96.08952	0.2
97.06458	0.3
101.40543	0.2
103.05452	0.2
106.06528	0.4
108.04453	0.4
108.08108	2.8
110.08937	0.3
110.09669	5.6
118.06532	0.3
120.03785	0.2
120.04452	2.4
120.07284	0.3
120.08089	4.2
122.06007	0.9
122.09644	0.5
123.06786	0.5
124.07605	1.4
134.06004	0.2
136.06650	0.3
136.07565	3.9
138.09125	8.4
144.04372	0.5
146.05952	1.0
148.07555	1.4
150.09094	1.0
152.06999	1.0
152.10672	0.4
159.09055	0.3
162.05426	0.6
164.07016	0.8
166.07195	0.4
166.08629	8.6
167.79100	0.3
168.10144	0.3
171.84177	0.3
172.03931	1.8
176.10649	0.3
180.10161	0.8
182.11751	0.4
184.42685	0.2
190.04993	1.1
194.08138	1.2
196.09691	0.5
197.10651	0.6
199.12233	0.4
204.06541	2.7
209.10658	0.6
210.11360	0.3
211.08643	0.7
212.09404	0.6
213.10196	0.8
218.08270	0.3
219.09077	0.3
221.10742	0.6
223.08597	1.0
223.12160	0.6
223.53561	0.2
224.09302	0.6
224.12935	0.3
225.10185	2.1
226.10931	0.6
227.11734	1.0
229.36006	0.3
233.10707	0.5
235.08641	1.0
235.12218	0.6
236.09357	0.9
237.10223	4.7
238.10893	1.3
239.08099	1.0
239.11746	2.7
241.09659	1.0
241.13396	0.4
248.09230	1.0
249.10190	4.2
250.10977	1.8
251.08095	1.9
251.11758	4.9
252.08926	0.5
252.12561	1.0
253.09717	4.3
253.12468	0.4
253.13329	0.4
254.10458	0.8
255.11241	0.7
261.10226	2.0
262.11029	0.7
263.08435	0.5
263.11716	2.5
264.08945	0.6
265.09702	6.2
266.10358	1.7
266.13681	0.2
267.11249	5.0
268.12088	0.6
269.09149	0.8
269.12820	1.1
271.10724	2.4
273.12384	0.6
276.08932	0.4
277.09686	2.3
278.07166	0.5
278.10437	2.9
279.07648	3.1
279.11240	6.8
280.08853	0.4
280.12024	1.6
281.09171	2.1
281.12805	1.7
282.09958	0.9
283.10770	4.9
284.11404	0.5
285.12186	1.4
287.13879	2.0
289.09692	4.5
290.10291	0.4
291.11270	1.9
293.09183	1.6
293.12805	3.2
294.09995	4.1
294.13156	0.4
295.10831	3.1
295.14026	0.4
296.11560	1.8
297.08957	0.5
297.12329	1.9
298.09506	0.5
299.10251	1.8
299.13742	0.4
300.11087	0.8
302.12958	0.4
306.09726	1.1
307.10754	1.7
308.11560	0.9
309.12350	2.2
310.12991	0.7
311.10199	5.1
311.13885	2.5
312.11035	2.4
313.11807	2.1
314.12592	1.6
315.13364	1.1
317.09192	1.0
321.08521	0.4
321.12320	0.6
323.10150	1.7
323.13953	1.9
324.11069	1.9
325.11880	2.4
326.12552	3.9
327.13385	7.0
328.14209	0.5
335.10245	7.7
336.10815	0.4
337.11813	0.8
339.13367	44.8
340.10489	2.6
340.13879	0.8
342.12299	0.4
343.12662	0.5
349.11926	0.4
352.10580	0.6
353.11209	1.2
354.12061	4.5
354.16095	0.4
355.12851	12.5
356.13440	0.7
357.14450	0.8
365.11261	0.3
367.12863	28.5
368.13275	0.7
370.15436	0.4
373.14304	0.4
374.14996	0.4
383.12381	0.3
386.14777	0.5
387.15668	1.0
398.15039	0.9
399.15717	1.7
400.16696	0.5
402.18152	0.3
404.16281	0.4
414.18167	0.3
416.15903	0.9
418.17883	0.3
420.19293	0.5
428.15887	0.4
430.17615	0.4
432.19714	0.3
436.18536	0.3
446.17120	0.7
447.18002	0.8
451.20923	1.1
452.21515	0.4
458.16965	1.9
460.19000	1.6
461.19391	0.3
464.22348	0.6
470.16614	0.3
474.20267	0.5
479.20532	2.0
480.21173	1.3
488.18137	8.0
490.19281	0.4
492.21243	4.6
502.19272	0.3
520.20770	100.0
521.21167	3.4
538.21826	2.6
552.23364	38.5
553.23541	1.7
569.23901	0.5
611.24823	4.9
643.27209	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	674.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04990	0.9
60.04471	0.8
61.60572	0.6
69.03342	1.7
69.06985	0.8
70.06512	7.1
71.51370	0.6
72.08074	4.1
74.06042	0.6
79.05432	1.1
81.03340	0.6
84.04485	2.2
84.08134	3.1
85.02814	2.1
86.05987	0.6
86.09705	7.6
87.05495	0.6
88.03919	0.7
91.05399	1.4
97.02834	1.2
97.06446	0.8
101.07060	0.9
103.05415	0.6
107.04929	2.8
109.02776	0.5
110.07098	0.6
111.07424	0.5
119.04858	0.7
120.08023	0.7
123.04336	2.0
124.05069	0.6
127.03825	0.8
129.10133	1.6
130.04962	0.6
131.04858	0.8
133.02831	0.5
134.05968	0.8
135.04326	1.0
136.07532	0.8
137.02298	1.0
137.05989	2.4
143.04866	1.1
146.05898	0.6
147.04405	3.7
149.05899	1.7
151.03732	0.5
152.07077	2.9
153.05389	0.6
160.05029	1.0
161.05907	1.4
162.05432	2.1
163.03871	0.7
164.07042	3.1
165.06837	0.7
167.07031	20.6
175.03809	1.7
176.06990	1.1
177.05489	2.7
177.06793	1.0
178.07637	1.2
179.08510	3.5
181.04860	1.9
181.06335	0.7
183.06493	0.5
183.07939	0.6
185.16425	1.1
189.06918	3.5
189.08470	0.9
192.05678	0.7
193.06473	0.6
195.07988	0.5
201.05383	0.7
201.12314	0.8
204.06561	1.0
205.06435	2.0
206.07179	1.9
207.08075	8.5
210.06633	1.4
211.07462	0.6
213.05257	0.7
213.12427	0.5
215.13808	0.7
217.06403	2.3
217.08263	0.8
218.07310	0.6
219.08076	0.9
219.10245	0.8
220.05109	1.8
221.05896	3.9
223.07413	1.4
224.08176	1.0
225.09169	0.6
226.06218	0.8
227.06924	0.7
233.05907	1.5
233.11847	0.6
234.06750	7.1
234.08949	1.1
235.07535	19.9
237.05365	2.2
237.07799	1.1
238.06306	3.5
245.06052	1.3
247.07468	0.8
248.04599	0.9
249.05482	3.5
250.06123	2.2
250.08638	1.5
251.06979	3.5
251.09372	1.6
252.07924	5.2
252.10336	0.9
253.08580	4.8
255.06526	1.1
261.05420	1.4
262.06238	25.6
262.08615	2.0
263.07013	20.2
263.09274	0.4
264.07352	0.7
265.04922	6.6
265.07388	2.1
266.05643	5.3
266.08096	1.0
267.06393	2.0
267.10083	1.6
269.08008	1.2
270.08508	0.5
277.04892	2.0
277.08090	0.7
278.08231	1.1
279.06308	4.2
279.08905	2.0
280.07114	6.1
280.09760	3.3
281.08066	10.1
282.08444	1.7
283.05994	2.2
290.05704	5.3
291.06516	3.3
293.06995	1.5
294.04678	2.5
294.08026	2.9
295.06018	2.3
295.09637	3.8
296.09351	1.0
297.07565	1.5
298.08340	2.1
307.08762	2.5
308.06482	10.4
308.09317	2.0
309.07349	9.1
310.07596	2.6
311.05405	2.1
313.10696	14.4
313.14377	0.7
314.10294	1.4
323.09131	29.9
324.09100	1.2
325.09601	3.3
326.07840	6.3
329.10071	1.0
330.13269	5.8
330.65259	0.5
340.07556	0.7
340.11780	20.9
341.10181	61.5
358.12839	100.0
359.13000	1.5
376.13937	0.6
400.13721	0.8
429.23596	0.7
436.14029	1.0
460.21216	0.5
462.21857	0.7
466.14066	0.6
477.11642	0.8
480.17288	0.8
484.15991	0.8
485.23581	0.5
502.17136	3.4
512.20654	0.8
520.18097	3.6
674.20184	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	675.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
67.05504	2.3
69.03423	1.6
69.07069	1.6
70.06591	8.4
71.51782	1.5
72.08157	3.4
75.76006	0.9
79.05473	4.5
80.05019	1.8
81.03410	1.4
81.05790	1.9
81.07059	2.0
82.06570	1.7
84.04479	2.4
84.08131	3.1
85.02930	1.2
86.09707	6.1
91.05495	5.2
93.05796	1.7
93.06551	1.0
93.07030	6.0
94.06562	9.9
95.04959	2.4
95.07337	7.3
95.08620	1.5
96.04446	0.9
96.08128	16.7
97.06495	2.3
103.05458	1.4
105.07014	1.6
108.08118	15.2
110.07164	1.9
110.09678	23.1
120.04444	1.5
120.08105	21.2
121.06471	1.5
122.06042	12.8
124.07613	2.6
129.10277	1.3
136.07573	15.3
137.05954	4.7
138.09134	27.1
145.02936	1.3
147.11711	1.3
148.07562	6.6
150.05479	1.5
152.07086	2.5
159.09218	2.7
164.07088	1.1
165.09032	1.3
166.08635	31.7
167.07100	1.5
168.10245	2.9
172.03926	1.3
177.05415	1.4
186.65829	1.1
198.07919	1.3
198.94839	1.1
211.08672	3.3
212.09341	1.0
221.10754	3.6
223.08722	1.2
225.10332	2.2
233.10715	1.4
235.08627	4.4
235.35983	1.1
236.09413	1.9
237.10144	3.6
238.11005	1.3
239.08057	1.2
241.09811	1.6
247.08653	4.5
248.09470	4.1
249.07634	1.8
249.10210	28.6
250.10991	3.3
251.11816	4.9
253.09975	1.2
261.10245	4.5
262.11096	2.0
263.11737	5.2
264.09216	1.3
264.12656	2.3
265.09781	5.1
267.11340	1.8
268.65472	1.0
275.08136	2.9
276.08969	1.5
277.09738	17.8
278.10590	5.3
279.07983	1.0
279.11301	4.7
281.09128	1.6
287.10529	1.2
289.09723	4.6
291.11221	5.5
292.12030	1.5
294.09372	1.0
295.10727	1.5
300.11411	2.1
301.12103	1.7
304.08392	1.4
305.09201	1.7
307.10794	2.3
309.12180	8.6
310.13159	4.3
311.11209	1.7
312.11496	1.3
313.12427	1.6
314.13043	3.6
315.13675	2.1
316.14233	1.4
321.08942	1.5
324.14804	2.2
326.13150	2.6
326.16467	1.3
327.14008	1.7
328.10806	4.0
328.14499	6.0
329.11816	1.5
330.12494	1.9
330.16177	1.6
331.55038	1.3
335.10202	2.4
336.11276	1.0
337.12112	3.5
338.12720	3.8
339.13858	1.6
340.10944	2.8
340.14584	4.2
341.11954	4.5
342.12344	8.5
342.16071	1.6
343.13086	4.0
344.13864	2.7
352.14484	6.4
353.15265	2.5
354.12360	3.4
354.16254	1.5
355.09402	1.3
355.13086	5.4
356.13925	15.9
357.14642	4.4
358.11612	2.3
358.15436	2.7
359.12750	1.3
366.12427	2.3
367.13208	1.8
368.10031	1.7
368.14008	2.7
369.10825	2.5
369.14908	2.2
370.11737	3.3
370.15918	6.7
371.12296	2.3
371.16238	2.9
372.13318	3.1
372.17493	5.0
373.14029	2.7
374.11090	1.3
374.15134	2.2
377.37939	1.1
380.13995	3.8
382.11707	3.6
382.16013	5.7
383.13113	3.6
384.13333	12.1
385.14120	3.8
385.18262	2.1
386.15002	2.9
386.19235	1.6
388.16708	2.4
396.13455	3.0
397.14172	4.5
398.01392	1.1
398.15067	13.4
399.15866	6.9
400.16791	14.2
402.14410	1.7
403.15048	1.4
404.16418	1.2
408.13293	2.0
410.15002	2.5
412.12912	4.5
414.13715	1.9
414.18210	4.0
416.15900	3.8
417.16858	1.8
424.13144	1.6
425.13513	2.4
426.14413	12.9
428.16241	10.4
430.17984	1.3
431.15552	1.4
442.12234	1.5
442.18396	9.7
443.14648	2.5
444.15250	7.3
446.17065	2.0
454.13965	36.3
455.14319	2.3
458.16974	1.5
460.19135	13.3
472.15054	100.0
473.14941	2.1
474.16449	13.4
476.18692	1.4
486.16513	4.2
488.18362	1.6
490.16165	1.2
492.17633	51.8
499.12589	1.7
504.17627	31.1
505.18015	1.2
506.19666	1.4
518.19550	1.7
520.20929	2.1
522.18591	5.6
575.18439	1.2
579.22089	2.7
597.23279	1.0
607.21655	16.5
611.24921	7.0
625.22961	32.4
629.25958	2.6
639.24457	33.0
643.23431	3.5
657.25555	96.3
658.25720	3.3
675.26550	5.5
686.80103	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	671.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.98014	0.6
65.03924	0.7
67.05470	0.7
70.06590	6.4
71.55338	1.0
72.08153	3.0
77.03893	0.6
79.05473	0.8
81.03413	0.8
81.07039	1.2
83.06080	0.9
84.04496	3.1
84.08132	2.1
85.02908	1.1
86.09702	4.4
89.03911	1.7
91.05476	13.5
93.07037	6.8
95.04963	4.3
100.52235	0.6
103.05442	4.6
105.06991	0.7
107.04946	2.0
107.08574	1.0
109.02869	0.9
109.06545	0.6
110.07163	0.9
111.04395	0.6
117.03328	3.4
117.07024	0.7
118.89207	0.5
119.04939	8.2
120.08090	1.2
121.06497	34.7
129.06606	1.4
130.04967	1.7
131.04877	0.7
133.02840	6.9
133.10114	0.7
134.06007	0.8
135.04405	1.3
136.07568	1.8
137.05972	12.5
138.06302	1.6
141.03351	2.1
143.04956	0.8
145.02831	5.8
145.06493	1.5
147.04405	2.3
147.07648	1.1
149.05940	3.6
150.06750	0.7
151.03893	2.0
151.07521	11.2
152.06985	1.4
158.03566	0.7
160.05141	0.9
161.05989	1.5
161.13281	0.6
162.05519	1.6
163.03848	1.0
163.07529	1.1
164.07027	2.6
165.05484	0.8
167.06990	1.0
173.05962	1.2
175.03847	2.9
175.07544	2.5
176.07086	0.8
177.04083	0.8
177.05476	10.0
177.06940	1.1
178.05804	1.0
184.30902	0.5
186.03116	1.1
186.05400	0.7
189.06981	1.0
191.07024	4.4
192.06520	1.8
194.08043	2.2
201.05368	55.3
202.05765	1.9
202.59062	0.7
203.07214	0.7
205.06470	2.2
207.06448	1.4
218.08086	2.5
219.08105	1.4
220.05208	5.1
221.05901	0.9
222.06676	1.9
226.04930	1.0
228.06561	0.7
231.06511	1.4
233.05960	2.4
234.06729	1.8
235.07544	16.9
237.05435	2.0
237.09036	6.3
239.07001	1.1
244.06012	1.6
247.07495	1.4
248.04683	4.6
249.05470	2.7
250.06175	2.1
251.06955	1.7
252.07922	0.8
259.09628	1.3
260.04852	0.8
263.07031	24.3
264.07700	1.5
265.04990	4.6
265.08575	10.9
266.09167	0.9
267.06570	1.4
276.04245	1.1
279.06705	1.0
279.10016	0.7
280.07346	8.5
280.10260	1.1
282.08844	12.4
283.09427	0.7
289.05350	0.8
291.06497	10.7
292.07257	0.8
293.08011	1.6
295.09692	1.8
297.11142	6.6
299.09152	1.6
303.05145	0.7
307.09442	1.2
308.06683	4.5
308.09692	0.8
312.06094	0.8
312.12271	0.7
313.10593	5.5
321.07642	2.9
323.09109	100.0
324.09418	2.4
325.10773	4.6
326.10809	0.8
327.08438	1.0
327.11966	0.9
340.12146	0.8
351.08481	1.6
352.12189	0.9
353.10086	2.3
362.10309	1.6
364.11810	6.5
369.09641	2.0
392.11157	1.8
394.12756	3.5
458.16129	1.4
460.17538	32.1
461.17780	1.0
462.18512	0.7
486.15463	13.9
488.17047	18.8
490.18582	11.6
491.22427	0.7
516.16461	19.2
517.16406	1.3
518.17999	7.1
671.28546	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	673.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67001	1.0
67.05506	1.2
70.06582	2.7
72.08164	0.9
79.05497	1.7
81.03387	1.1
81.07036	1.8
81.16690	0.7
86.09707	1.2
91.05455	1.9
93.07049	2.6
94.06566	2.4
94.15609	0.8
95.04966	0.9
95.07335	2.6
95.08590	0.8
96.08122	4.5
100.49154	0.7
105.07029	1.5
108.08111	3.9
110.09692	8.3
119.08575	0.8
120.08103	7.3
122.06037	2.2
122.51848	0.8
134.06046	1.7
136.07591	5.0
138.09149	9.9
148.07526	1.3
157.28038	0.8
162.05464	0.9
166.08643	12.8
182.90733	0.7
209.10724	2.4
221.10699	1.3
222.07687	0.9
223.12311	1.0
235.08728	2.2
236.09332	4.1
237.10219	13.1
238.10910	1.2
249.10257	11.5
250.10980	3.3
251.08092	1.3
251.11824	4.2
253.09843	2.0
261.10107	1.5
263.08011	1.3
263.11774	0.9
264.08929	8.7
265.09686	6.6
266.10416	0.9
267.11313	4.2
277.09683	10.2
278.10516	3.3
279.07947	1.3
279.11227	10.4
280.11935	0.9
281.09204	3.2
282.09402	0.8
283.10696	1.0
289.09683	1.0
291.07745	1.6
292.08380	0.9
292.11813	1.0
293.09253	33.6
293.12802	3.5
294.09778	1.3
295.10834	1.6
297.12302	1.1
305.09235	7.3
306.09830	1.0
307.10757	8.6
307.99313	1.0
309.08640	3.0
309.12375	2.4
311.10361	1.9
311.13824	1.4
313.11810	3.2
317.14984	1.0
319.10672	1.5
321.12350	1.4
323.10291	5.3
325.11920	4.2
327.13483	1.8
330.12268	0.8
333.08600	3.9
335.10150	1.4
337.11685	4.2
338.12704	1.0
339.13434	6.9
340.14343	0.8
342.12265	1.0
343.12823	0.9
351.09760	19.4
353.11115	1.8
354.12262	1.0
355.13049	2.2
356.13907	1.6
365.11182	3.5
366.12131	3.6
368.13779	2.0
370.11472	1.4
371.12238	2.9
383.12363	5.6
385.13763	3.5
386.15067	0.9
397.13849	5.1
398.14728	2.3
399.15512	0.9
418.17560	3.1
428.15836	1.0
438.14557	2.6
446.17123	11.1
456.15610	6.9
458.16943	2.0
462.32684	0.9
476.18130	3.6
477.19226	1.0
478.19778	10.2
486.16406	1.4
488.18161	1.7
490.19156	1.3
504.18262	1.3
518.19183	2.3
519.19739	3.0
520.21387	1.1
536.20203	4.1
550.13147	1.5
550.21832	44.3
551.22614	100.0
552.22668	4.4
609.23425	4.0
621.60980	0.9
623.24841	1.0
641.26166	10.3
673.34528	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	673.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
65.03948	0.5
67.05482	1.8
69.03418	0.6
69.77168	1.6
70.06577	0.7
79.05466	1.6
81.03436	0.7
81.07041	1.0
82.06554	0.5
84.04488	0.6
84.08135	0.8
89.03854	0.7
91.05471	1.0
93.06989	0.8
94.06554	1.9
95.04928	0.5
95.07354	0.4
95.08620	0.8
96.08118	1.3
105.06976	0.5
106.06564	0.5
108.08102	1.6
110.09641	1.1
116.04964	1.8
120.08078	1.5
122.06027	5.1
124.07570	5.3
128.54576	0.4
134.06015	0.5
136.07579	2.8
138.09134	2.1
140.06970	0.8
144.04424	4.9
146.06030	0.8
148.07556	1.1
150.05455	1.5
152.07027	1.0
160.03912	0.6
162.05431	2.1
164.07010	0.6
165.09108	1.8
166.08641	2.3
167.99805	0.4
168.06570	1.6
168.07950	0.8
170.09651	0.5
172.03914	17.7
172.07518	1.0
172.78593	0.5
174.05595	0.7
174.07762	0.5
179.74454	0.4
182.08110	1.2
185.10834	1.0
186.05495	0.6
187.08696	0.5
187.12228	0.7
190.04977	6.9
197.10753	0.6
198.09122	2.4
199.08592	1.0
199.12286	0.7
200.12988	0.6
201.10245	3.0
201.13818	0.4
204.06543	25.5
205.06888	0.6
211.08412	0.5
211.10136	0.6
212.10670	1.8
213.10135	3.2
213.13715	0.5
214.10854	1.0
215.11790	1.9
224.09351	0.6
225.10220	3.9
226.10985	0.7
227.08014	2.7
227.11726	1.2
228.12512	1.5
229.09689	2.8
229.13286	1.0
239.11668	1.1
240.10225	0.9
241.09668	5.9
241.13344	2.7
242.08093	1.0
242.10475	10.6
243.11253	4.9
244.12082	1.0
255.11249	1.9
256.12036	7.7
257.10370	0.7
257.12820	11.3
258.11191	1.8
258.13577	1.3
267.11273	1.1
269.09113	0.7
272.12863	1.0
273.12253	0.8
274.13394	0.7
279.11212	0.6
284.11530	6.8
285.12283	5.0
287.10199	1.3
289.12027	0.8
289.15439	3.6
297.12213	1.0
299.13837	0.8
301.11884	1.1
302.12704	3.1
307.10797	0.5
315.13467	0.8
317.14929	100.0
318.15341	3.2
325.11807	9.0
329.11304	1.4
339.13403	0.9
343.12741	2.6
344.13647	0.5
357.14383	2.6
414.13632	0.6
432.18777	0.7
448.18527	0.9
476.17676	1.6
488.18243	1.7
597.26874	2.9
609.23376	2.2
613.26849	0.9
641.25946	8.7
642.25952	0.7
673.26917	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	672.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	37.5
57.40453	2.1
69.07068	4.5
69.23811	26.5
71.08631	31.8
71.52634	2.2
73.06542	10.2
81.71774	2.3
83.08618	5.3
85.10162	16.4
87.04480	10.7
89.06029	100.0
89.06580	5.4
93.44550	2.2
97.10165	5.2
98.21558	4.9
99.11786	2.3
107.07071	5.7
111.11684	3.7
113.30594	2.2
117.09135	9.5
117.61249	2.4
127.14826	2.4
130.08624	5.2
131.07056	3.3
133.08600	60.7
161.11655	2.9
177.11220	23.8
211.78354	2.5
221.13811	5.9
240.76125	2.4
241.25232	2.8
282.96588	2.2
283.17493	3.0
285.27942	6.6
329.30576	4.5
594.13727	2.7
624.09601	2.3
655.49652	4.6
672.51599	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	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
53.15046	0.6
55.05519	4.3
57.03438	4.1
57.07074	32.1
61.02927	13.9
65.03947	0.6
66.80634	0.5
67.05501	10.9
69.03429	1.4
69.07062	6.8
69.86062	3.6
71.08630	27.8
72.08961	0.6
72.23151	0.5
73.02924	4.6
75.04466	1.8
79.05474	2.3
81.03397	1.9
81.07055	13.7
82.07368	1.0
83.08167	0.7
83.08620	11.4
85.02905	16.2
85.06548	0.7
85.10177	16.3
89.06007	1.3
91.03419	1.0
91.03953	14.4
91.05456	1.8
93.07016	2.1
95.04946	1.3
95.08605	22.9
95.43838	0.6
96.87778	0.6
97.02892	8.5
97.10172	6.6
99.04424	0.7
99.11701	1.1
103.07560	0.7
105.07046	1.6
107.08585	1.0
109.02884	0.9
109.10148	12.9
111.11676	1.4
115.03963	0.8
119.08576	0.9
123.11697	4.7
125.13293	0.9
127.03902	6.2
131.08621	0.7
135.11816	0.7
137.13257	2.0
145.04985	7.4
151.14853	0.8
163.06012	11.5
165.16406	0.9
169.63832	0.7
177.71048	0.6
221.22630	0.9
239.23676	21.5
239.26106	1.2
257.24731	2.5
300.92300	0.7
313.27350	100.0
314.27640	1.7
331.28391	38.5
331.65109	0.6
420.90753	0.7
463.48373	0.7
636.40179	1.2
650.67700	0.7
654.41516	1.1
672.30780	0.9
672.41608	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	671.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01866	1.3
55.62200	0.2
56.05033	0.3
57.03426	0.4
60.16281	0.2
61.02910	0.5
69.03440	1.5
70.06593	3.3
70.27997	0.9
70.28350	0.3
71.03423	0.2
71.04946	0.2
72.08138	0.8
72.55061	0.2
73.02919	0.2
74.06051	0.3
79.63642	0.2
81.03395	0.8
82.06590	0.2
84.04482	0.8
84.08126	1.0
85.02901	3.2
86.09716	1.0
87.04456	0.2
95.04968	0.2
97.02898	1.5
101.07159	0.3
106.06549	0.3
107.36910	0.2
108.04476	0.4
109.02889	0.3
110.06038	0.4
110.07150	0.5
116.07144	0.2
120.08104	0.5
122.05966	0.2
127.03934	1.0
129.10231	0.6
130.08627	0.2
134.06032	0.4
136.07574	0.4
137.05960	0.3
138.05455	0.5
138.09052	0.2
141.10118	0.2
145.02928	0.2
145.04967	0.4
147.04382	0.4
148.07571	0.2
150.05544	0.3
152.03419	0.6
152.07047	0.4
156.08028	0.2
160.03914	0.5
161.04739	0.4
162.05490	0.7
163.03938	0.4
166.08586	0.2
167.07057	0.3
168.06717	0.4
172.07556	0.3
176.07045	0.6
177.05481	0.6
178.04967	2.5
179.05664	0.2
182.09717	0.3
183.09143	0.3
184.07622	0.3
185.07098	0.6
185.10681	0.2
187.05020	1.7
195.09279	0.2
199.08722	1.4
199.10394	0.3
199.12358	0.3
201.06606	1.1
201.10220	0.8
205.06128	0.8
209.10672	0.3
210.09085	0.3
211.08730	0.5
212.09041	0.2
212.10815	0.3
213.06595	1.9
213.10284	1.7
213.12222	0.4
215.11815	0.4
219.07796	0.3
219.42554	0.2
220.14087	0.2
223.08743	0.2
226.08694	0.4
227.08145	2.9
227.11655	1.1
228.06566	0.4
228.10268	0.4
229.09753	1.6
229.13431	0.3
231.07622	1.8
237.10197	1.3
238.08647	0.8
239.08128	0.8
239.11813	0.5
241.06148	0.3
241.09743	2.4
242.10181	0.2
243.07695	0.4
243.11314	0.6
245.09271	0.8
251.08078	0.5
255.07651	4.8
255.11285	3.0
256.09848	0.3
257.09308	0.9
257.12808	1.1
259.07217	0.5
259.10782	0.5
265.09705	1.8
266.07965	0.3
267.07581	1.1
268.09644	0.3
269.09235	4.2
273.08710	3.2
273.12271	0.6
274.09351	0.3
275.10284	0.6
275.13535	0.4
283.07571	0.5
283.10767	9.4
284.08841	0.3
284.11505	0.3
285.09094	0.2
285.12421	0.6
287.10239	2.5
293.09204	3.1
296.07706	0.2
298.75278	0.3
301.11752	2.8
303.13535	0.3
311.10248	22.0
312.10538	0.7
319.12897	1.5
329.11307	44.1
330.11551	1.5
347.12363	100.0
348.12662	2.5
435.56088	0.2
447.16940	0.4
455.14523	0.3
473.15851	1.0
491.16705	0.8
492.16510	0.4
509.17624	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	671.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.98014	0.6
65.03924	0.7
67.05470	0.7
70.06590	6.4
71.55338	1.0
72.08153	3.0
77.03893	0.6
79.05473	0.8
81.03413	0.8
81.07039	1.2
83.06080	0.9
84.04496	3.1
84.08132	2.1
85.02908	1.1
86.09702	4.4
89.03911	1.7
91.05476	13.5
93.07037	6.8
95.04963	4.3
100.52235	0.6
103.05442	4.6
105.06991	0.7
107.04946	2.0
107.08574	1.0
109.02869	0.9
109.06545	0.6
110.07163	0.9
111.04395	0.6
117.03328	3.4
117.07024	0.7
118.89207	0.5
119.04939	8.2
120.08090	1.2
121.06497	34.7
129.06606	1.4
130.04967	1.7
131.04877	0.7
133.02840	6.9
133.10114	0.7
134.06007	0.8
135.04405	1.3
136.07568	1.8
137.05972	12.5
138.06302	1.6
141.03351	2.1
143.04956	0.8
145.02831	5.8
145.06493	1.5
147.04405	2.3
147.07648	1.1
149.05940	3.6
150.06750	0.7
151.03893	2.0
151.07521	11.2
152.06985	1.4
158.03566	0.7
160.05141	0.9
161.05989	1.5
161.13281	0.6
162.05519	1.6
163.03848	1.0
163.07529	1.1
164.07027	2.6
165.05484	0.8
167.06990	1.0
173.05962	1.2
175.03847	2.9
175.07544	2.5
176.07086	0.8
177.04083	0.8
177.05476	10.0
177.06940	1.1
178.05804	1.0
184.30902	0.5
186.03116	1.1
186.05400	0.7
189.06981	1.0
191.07024	4.4
192.06520	1.8
194.08043	2.2
201.05368	55.3
202.05765	1.9
202.59062	0.7
203.07214	0.7
205.06470	2.2
207.06448	1.4
218.08086	2.5
219.08105	1.4
220.05208	5.1
221.05901	0.9
222.06676	1.9
226.04930	1.0
228.06561	0.7
231.06511	1.4
233.05960	2.4
234.06729	1.8
235.07544	16.9
237.05435	2.0
237.09036	6.3
239.07001	1.1
244.06012	1.6
247.07495	1.4
248.04683	4.6
249.05470	2.7
250.06175	2.1
251.06955	1.7
252.07922	0.8
259.09628	1.3
260.04852	0.8
263.07031	24.3
264.07700	1.5
265.04990	4.6
265.08575	10.9
266.09167	0.9
267.06570	1.4
276.04245	1.1
279.06705	1.0
279.10016	0.7
280.07346	8.5
280.10260	1.1
282.08844	12.4
283.09427	0.7
289.05350	0.8
291.06497	10.7
292.07257	0.8
293.08011	1.6
295.09692	1.8
297.11142	6.6
299.09152	1.6
303.05145	0.7
307.09442	1.2
308.06683	4.5
308.09692	0.8
312.06094	0.8
312.12271	0.7
313.10593	5.5
321.07642	2.9
323.09109	100.0
324.09418	2.4
325.10773	4.6
326.10809	0.8
327.08438	1.0
327.11966	0.9
340.12146	0.8
351.08481	1.6
352.12189	0.9
353.10086	2.3
362.10309	1.6
364.11810	6.5
369.09641	2.0
392.11157	1.8
394.12756	3.5
458.16129	1.4
460.17538	32.1
461.17780	1.0
462.18512	0.7
486.15463	13.9
488.17047	18.8
490.18582	11.6
491.22427	0.7
516.16461	19.2
517.16406	1.3
518.17999	7.1
671.28546	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	671.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01854	0.6
55.05497	1.4
57.07063	0.8
65.03925	0.8
66.73221	0.4
67.05485	1.3
69.03424	13.1
69.07056	1.7
69.14411	0.4
69.43309	0.5
69.59490	2.8
70.06583	3.5
72.08127	1.5
77.03931	0.9
79.05494	1.5
81.03404	0.9
81.07054	4.8
83.08586	1.4
84.04491	1.6
84.08108	0.8
85.02884	2.0
86.09721	2.8
89.03900	0.5
91.05474	15.7
93.07028	1.8
95.04956	1.0
95.08595	3.2
97.02866	1.8
97.06494	0.6
97.10184	0.5
103.05429	0.7
105.03372	1.0
105.07034	1.1
107.04922	1.4
107.08565	1.3
109.02837	1.1
109.10126	1.8
111.11682	0.5
117.03344	1.5
119.04935	27.2
119.08576	0.9
120.08062	1.4
121.02837	1.0
121.06482	2.7
121.10149	0.6
123.11690	1.6
127.03919	6.0
129.03288	0.5
130.04967	0.7
131.04918	0.9
131.08562	0.5
132.02116	0.7
133.06448	0.6
133.10126	0.6
133.40915	0.4
135.04369	0.6
135.11664	0.6
136.07607	0.6
137.05981	4.4
137.13261	0.9
145.02826	3.4
147.04402	26.1
149.02386	0.9
149.05971	0.6
149.13257	0.9
151.07524	1.2
152.07010	0.6
153.01796	0.8
155.14346	0.7
157.03931	2.9
161.06015	0.7
163.03841	0.6
164.04625	1.0
164.07018	0.8
165.01865	0.6
165.09131	0.6
167.07016	3.0
173.06001	0.6
175.03899	47.7
177.05460	5.2
179.06943	1.8
191.07027	1.3
192.04175	0.8
201.05290	2.3
203.06937	0.5
207.06512	100.0
208.06844	0.8
217.04971	0.7
219.06441	1.0
225.07574	1.3
229.04951	1.1
233.08102	0.5
261.07477	0.6
275.27444	0.9
281.28372	0.7
291.08621	1.9
293.28375	2.0
296.12589	1.4
303.05017	16.5
311.29623	0.9
323.09216	1.5
339.08289	0.7
351.10794	10.1
369.11792	10.9
456.25250	0.8
504.16385	0.8
671.26215	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	670.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05513	27.9
57.03431	7.7
57.07085	11.6
61.02927	28.2
67.05502	35.2
69.03414	5.0
69.07068	46.9
70.95924	1.9
70.96272	2.9
71.04971	2.8
71.08635	10.2
73.02923	10.8
75.04472	2.5
79.05489	14.5
81.07056	47.8
83.08618	39.0
84.71375	1.8
85.02908	32.7
85.10162	3.6
86.18685	1.8
91.03954	29.4
91.05453	2.1
91.06061	1.7
93.07042	28.3
95.08605	36.8
95.09187	3.1
97.02876	11.5
97.06522	8.3
97.10167	23.8
99.04479	2.6
107.08595	19.4
109.02908	1.9
109.10154	15.2
111.08075	7.1
111.11736	7.0
115.03918	2.6
115.86225	1.6
115.87111	1.9
121.10137	42.4
123.11658	15.2
123.12314	1.4
125.09653	4.4
127.03895	10.6
135.11682	30.0
137.13242	12.5
139.11151	3.0
143.10710	1.7
145.04991	13.2
149.13251	13.7
163.05995	20.5
163.14836	5.7
210.82506	1.7
219.21078	43.5
221.45566	1.7
237.22113	100.0
238.22533	2.2
254.66548	1.8
255.23178	19.8
311.25790	99.8
312.26077	3.6
329.26859	62.1
333.60098	2.3
413.36041	1.7
435.24045	1.8
473.31323	3.4
544.12372	2.0
686.40717	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	666.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.1
51.02367	0.1
55.01875	0.2
56.05033	0.1
57.03429	0.3
58.03397	0.1
61.02910	0.4
62.36998	0.1
65.03933	0.4
65.51486	0.1
69.03426	1.3
69.07044	0.1
70.06592	0.9
71.57378	0.1
72.08144	0.6
73.02915	0.1
74.06046	0.1
75.05599	0.1
79.05511	0.1
81.03416	0.5
84.04492	0.4
84.08143	0.6
85.02900	2.9
86.09705	0.6
86.89088	0.1
87.04440	0.1
91.05471	5.9
97.02877	1.1
97.06577	0.1
99.04440	0.2
102.05557	0.2
109.02865	0.4
110.07159	0.2
112.08771	0.1
115.08647	0.1
116.07060	0.1
117.03359	0.1
119.04930	16.6
120.05272	0.3
120.08105	0.2
127.03893	0.4
129.10211	0.4
132.04448	0.6
136.07555	0.3
137.05945	0.2
145.02888	0.5
145.04942	0.3
147.04396	100.0
148.04756	1.4
150.05486	2.1
152.07033	0.2
162.05409	0.1
164.07030	0.2
165.05460	0.3
177.05455	0.7
178.04938	0.8
196.06050	1.9
196.07797	0.1
204.06677	0.1
237.02821	0.1
282.07648	0.3
291.08618	0.2
309.09637	0.7
324.08707	0.1
342.09695	12.4
343.10059	0.3
358.11520	0.2
398.13556	0.1
440.22528	0.1
504.15082	1.2
546.30536	0.1
616.22113	0.1
648.23694	0.1
666.39868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.7
55.90410	0.9
56.05035	22.1
60.04522	3.9
61.01152	19.1
65.92537	0.9
67.05508	1.8
69.07066	1.2
70.06587	6.1
70.84689	1.9
72.08157	41.3
73.98397	1.0
74.09719	4.6
75.13661	1.0
79.05480	1.3
81.03414	1.4
81.07067	1.7
84.04507	42.2
84.08149	2.3
85.02911	2.1
86.09709	4.0
91.05453	1.8
93.07047	2.4
95.08567	1.7
98.02390	1.0
98.06056	19.3
102.05545	57.6
104.05328	54.9
107.08600	1.0
107.24697	1.0
109.02865	1.0
110.07206	1.7
114.09186	1.1
119.08620	1.2
120.08113	26.1
120.08955	1.8
121.06490	3.0
124.07597	1.1
125.07112	1.6
126.05528	5.4
128.64986	0.9
129.10260	2.1
130.05008	1.3
133.02859	2.4
136.03960	2.3
136.07559	1.3
137.05971	3.0
140.53511	1.0
145.02853	1.6
146.06345	52.4
152.07077	1.1
153.05482	2.0
153.06540	6.8
154.04968	1.5
159.11322	6.4
171.07684	4.1
174.05833	34.4
177.05472	2.1
180.10185	16.5
181.06085	28.9
189.08728	3.0
199.07149	27.0
201.05504	2.5
217.08195	2.3
252.13420	2.1
256.72507	1.1
268.34753	1.1
279.16943	4.1
298.14124	5.5
303.10092	17.9
335.09195	1.1
353.10168	1.2
362.13708	2.8
372.12238	100.0
373.12622	2.4
390.13300	18.7
417.18079	1.1
443.19315	1.8
470.79910	1.1
471.19125	23.0
527.47064	1.2
668.22803	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	665.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
55.05501	3.4
56.05017	2.0
69.03423	2.2
69.07074	8.9
70.06588	20.5
71.51702	1.9
72.08154	8.6
74.06083	1.1
79.05501	1.9
80.04988	1.4
81.07043	2.5
83.04961	1.6
83.06068	1.5
83.08634	1.8
84.04516	7.8
84.08138	12.9
85.02891	3.0
86.09712	13.9
87.29168	1.3
91.05501	2.1
94.06573	5.4
95.04984	2.6
97.02879	2.1
100.11239	5.8
101.07159	1.8
105.07031	1.4
107.08574	1.9
109.10162	1.5
110.07136	2.5
112.02165	1.8
112.07616	2.0
120.08094	8.3
122.06023	16.1
123.04378	1.4
124.07598	1.5
127.03899	1.9
129.10228	4.0
130.06573	1.8
134.05981	1.7
135.04402	1.7
136.07561	3.9
137.05968	2.8
140.07057	31.4
140.10715	1.4
141.10228	1.4
142.12221	2.6
144.04460	1.5
145.02824	3.5
146.06010	10.3
147.04390	3.1
148.07541	3.6
152.07097	2.1
154.12286	3.5
162.05518	2.2
163.03874	2.4
163.06174	1.8
167.06915	1.5
172.03954	12.7
174.05513	15.2
176.07054	9.0
177.05452	6.1
182.15442	2.3
190.04982	4.7
191.05699	1.8
192.06516	2.8
197.10664	1.9
199.08603	2.2
204.06522	18.3
206.08139	5.7
207.06444	1.6
209.16522	1.5
210.14883	4.6
213.10191	3.6
215.11740	2.4
222.34167	1.2
225.10225	3.9
237.10272	3.2
239.11700	1.5
241.09818	1.9
243.11322	14.2
249.10236	2.7
251.11768	3.2
253.09801	2.0
256.86221	1.4
257.09280	1.5
261.12473	2.4
265.09628	3.8
267.11343	2.3
269.09143	3.5
271.05997	5.8
271.10718	1.8
274.94446	1.6
277.09088	1.4
283.10831	4.7
284.11469	2.4
285.12320	23.3
287.10339	4.5
287.13867	3.0
295.10486	1.7
297.12268	1.9
299.10248	2.8
300.11319	1.7
301.11771	3.5
302.12396	2.2
303.13351	25.0
313.11813	31.3
314.12378	1.5
315.13437	1.6
316.10818	1.7
316.14359	2.4
318.15796	2.6
326.12436	1.4
329.11652	1.5
331.12881	13.8
332.13806	1.8
344.13840	3.0
345.14438	10.8
346.15533	5.2
347.16092	4.0
354.12231	1.7
356.13910	2.3
358.15549	3.3
360.16995	2.8
363.15518	2.4
368.13953	1.7
370.15707	2.2
371.12442	2.5
372.13199	6.0
373.14035	2.7
374.14954	3.6
378.18454	1.7
384.17407	2.0
385.13998	1.8
386.14944	9.8
387.15649	5.7
388.16461	4.4
390.13773	3.2
396.13239	2.5
398.15195	1.7
400.16794	1.5
402.18597	2.0
404.16043	3.8
405.16785	1.9
406.17554	5.1
414.14392	7.0
415.15323	11.1
416.16000	19.4
418.17758	1.6
428.15814	2.9
429.16412	2.0
430.17624	4.0
432.15393	1.6
433.16290	4.2
434.17029	4.9
446.17059	5.5
447.17914	2.4
456.15399	6.1
457.16037	3.8
474.16562	20.6
475.17203	10.6
476.18063	8.0
485.22513	1.6
503.23877	1.8
506.19281	5.3
571.25232	2.8
573.22858	4.0
597.23505	12.7
615.24463	100.0
616.24652	6.8
633.25525	2.7
647.26678	3.7
665.30518	6.5
665.49677	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	663.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76275	0.7
53.03931	2.5
55.01876	4.4
55.05275	1.0
55.05511	14.4
57.03436	19.1
57.07068	8.8
61.02923	68.2
64.34316	0.8
65.03927	1.0
67.05502	19.6
69.03426	25.2
69.07064	22.5
70.77233	1.8
71.01336	2.4
71.04977	2.8
71.08626	4.3
73.02515	1.4
73.02912	22.6
73.06516	0.7
75.04465	2.0
77.94150	0.7
79.05492	7.2
81.03414	20.5
81.07053	22.6
83.01340	1.1
83.04966	3.6
83.08156	1.4
83.08615	18.3
85.02899	77.7
85.06510	1.6
85.10184	2.5
87.04457	2.4
91.03949	47.2
91.05475	2.6
93.07031	11.0
95.04961	2.5
95.08604	20.1
95.09151	0.6
97.02885	65.7
97.06521	3.2
97.10159	10.0
99.00845	0.8
99.04444	11.8
101.02364	7.9
103.03934	9.3
105.07002	1.6
107.04928	0.9
107.08560	7.0
109.02868	12.8
109.06488	1.4
109.10149	9.1
111.04428	2.5
111.08061	1.5
111.11703	3.2
115.03919	6.8
117.05484	2.0
119.08550	1.3
121.06427	0.9
121.10138	11.0
123.11696	2.5
125.09626	1.2
125.13280	1.0
127.03914	30.4
129.05446	5.7
133.10121	1.4
135.11687	9.8
137.05931	1.0
137.13242	1.8
139.11223	1.1
145.04953	19.3
145.10098	0.9
147.11702	0.8
149.13226	5.2
151.14803	1.8
153.12691	1.8
155.07056	1.4
159.06474	2.4
163.06030	5.2
163.14836	1.6
165.16418	2.3
171.06506	3.1
175.30765	0.9
177.16391	1.7
181.15800	0.9
183.06528	15.1
184.10468	0.7
201.07555	10.6
219.08615	1.5
229.45253	0.8
247.24197	7.5
263.23764	1.1
265.25272	23.8
283.26379	1.9
331.26431	1.2
337.27347	2.2
339.28922	100.0
340.29214	2.2
345.27914	1.0
349.27261	1.3
355.26337	1.4
367.28455	4.1
373.27463	4.1
381.30075	3.8
389.42188	0.7
391.28406	2.1
409.29266	1.2
411.31210	0.9
423.31039	1.4
447.30908	4.5
447.81860	0.8
465.32239	5.1
483.33228	11.8
501.33981	2.8
555.98590	0.8
568.14948	1.0
663.39301	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	664.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01859	2.5
55.05509	8.1
56.26025	1.1
57.03421	3.3
57.07056	4.6
61.02906	3.4
67.05503	15.5
68.99783	3.0
69.03429	14.4
69.07064	16.1
69.25656	2.9
69.26057	13.6
69.95930	1.0
70.06597	1.9
71.01342	2.1
71.08617	1.3
73.02903	2.5
74.82690	1.1
79.05079	1.5
79.05491	19.4
81.03426	11.0
81.07054	95.8
83.04975	1.5
83.08595	3.8
84.08119	2.7
85.02904	99.2
86.09727	2.6
87.00822	16.6
91.05476	6.3
93.07041	54.3
95.01304	3.3
95.04964	2.6
95.08607	40.9
97.02885	16.7
97.10172	3.1
99.00835	1.2
99.04434	4.2
103.03908	3.6
105.01865	28.7
105.07037	6.2
107.08590	29.9
109.02882	15.3
109.10155	29.1
111.11724	2.9
113.02329	1.9
119.08595	2.1
121.10140	100.0
122.10449	1.4
123.04443	1.7
123.11709	11.7
127.03915	36.3
129.01819	4.1
135.11687	15.4
136.06180	1.9
137.13235	5.4
139.03859	1.4
141.01811	14.8
145.04959	13.8
147.02876	2.3
149.02307	1.5
149.13252	37.1
159.02914	6.4
163.14845	3.2
168.22963	1.1
169.01410	1.0
171.02962	1.4
177.03931	1.5
189.03932	8.2
205.19508	31.4
213.03897	4.6
222.22198	1.7
231.04994	17.3
243.04846	1.4
247.04282	1.6
249.06102	9.2
261.06052	3.3
267.04861	1.7
273.06122	6.4
285.06107	3.6
389.07147	4.1
407.08121	3.9
412.55750	1.3
595.14758	1.3
664.33545	10.8
665.31799	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	662.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01858	1.3
55.05489	2.0
56.54413	0.6
57.03429	1.0
67.05512	3.3
68.99757	0.7
69.03423	5.9
69.07055	2.0
70.06590	4.2
70.73587	2.1
70.73949	0.8
71.04973	0.9
71.08633	7.6
72.08142	3.8
73.02925	1.5
77.22792	0.6
81.03424	5.4
81.07049	4.0
84.04489	1.4
84.08130	3.1
85.02898	6.3
86.05540	0.7
86.06065	13.9
86.09690	2.8
87.00823	2.1
91.05486	5.0
93.07041	3.7
94.06542	0.8
95.08611	7.7
96.08128	3.8
97.02877	2.9
97.06535	0.9
98.06036	1.1
98.09691	5.9
99.04453	1.8
99.08096	4.5
105.01856	0.9
105.07027	1.8
107.08614	0.9
108.08105	2.5
109.02872	5.3
109.10158	3.0
109.89516	0.7
110.09688	1.0
114.09182	1.0
116.10728	36.9
117.07034	0.7
119.08581	7.9
120.08083	1.1
122.09663	2.7
124.07574	1.9
126.09139	1.1
127.03935	7.8
129.10207	0.9
133.10097	1.2
137.09601	5.9
138.09094	1.3
140.10677	0.8
142.08629	2.1
143.10658	2.4
145.04903	1.7
147.08012	1.8
154.15903	3.1
155.10600	0.9
165.09091	1.2
166.08681	1.0
166.15854	1.8
168.17441	0.8
178.15935	1.7
183.10126	1.5
184.07445	0.7
194.27574	0.8
196.16969	7.6
201.11099	3.3
213.03949	1.2
214.18016	100.0
215.18419	1.1
227.12772	0.7
231.05011	1.2
245.13799	0.7
254.21010	3.2
256.19058	2.2
280.19064	3.0
298.20041	3.7
303.04965	2.0
304.05420	1.9
304.13702	0.8
316.21198	31.6
376.23114	1.2
396.27435	2.1
414.28476	15.5
415.15280	0.7
418.24393	3.0
462.23325	31.3
520.27460	2.2
546.16467	0.8
546.25061	1.3
564.26495	19.2
612.34967	0.9
618.34814	1.6
662.33557	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	662.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01847	1.4
55.05500	2.1
57.03415	1.8
65.03931	1.1
67.05502	5.0
68.66674	0.7
68.99786	0.9
69.03428	10.2
69.07062	2.0
70.06588	5.8
70.74004	2.6
71.04990	1.9
71.08628	7.2
72.08138	3.4
73.02910	1.5
81.03412	9.5
81.07042	3.8
82.06503	0.9
84.04501	1.1
84.08129	2.4
85.02899	8.4
86.06064	28.7
86.09673	2.5
87.00822	3.6
87.04443	1.1
88.03957	0.8
91.05489	7.8
93.07034	5.4
94.06540	1.0
95.04965	1.5
95.08597	10.2
96.08138	6.6
97.02891	5.0
97.06509	1.2
98.06065	1.9
98.09679	11.7
99.04427	5.1
99.08091	6.6
105.01861	1.4
105.07020	2.0
107.08588	0.9
108.08089	3.7
108.71551	0.8
109.02856	7.8
109.06512	0.9
109.10142	3.1
110.09666	2.7
114.09180	0.9
116.10722	69.3
119.08568	10.3
120.08080	2.2
121.10191	1.0
122.09640	2.8
123.08054	1.7
124.07581	2.6
124.11272	0.9
127.03916	12.4
129.01790	1.2
133.10101	0.9
134.09648	0.9
137.05975	1.3
137.09607	6.1
138.09128	3.1
140.10690	1.4
142.08650	6.6
142.12183	1.2
143.10689	2.4
145.04971	2.0
145.10129	1.0
147.08049	2.7
148.11310	1.0
148.20874	0.9
149.05928	0.9
149.34154	0.9
150.09138	1.4
152.10669	0.8
153.23544	1.0
159.02797	1.0
165.09065	2.3
166.08569	3.1
167.06993	1.9
167.09106	0.8
172.03911	1.4
172.70804	0.8
177.05391	0.9
187.06078	1.2
196.16974	1.5
201.07805	0.8
204.06546	1.9
209.11676	1.3
213.03923	1.5
214.18024	9.1
220.17024	1.2
227.12537	1.1
231.04919	3.1
236.20068	1.0
238.17995	2.7
245.13812	2.2
254.21074	8.6
256.19040	5.6
262.17932	1.7
265.09738	1.1
279.11267	1.1
280.19058	11.1
296.11243	0.9
298.20157	9.8
316.21170	100.0
317.21512	2.4
329.12183	1.6
337.11713	1.1
339.13516	0.9
347.13248	2.9
392.44196	0.9
396.27295	5.3
414.28479	25.5
462.23135	2.6
478.26367	2.6
502.26492	1.2
506.22327	1.1
507.19409	2.3
508.20953	2.0
509.20941	1.9
520.27399	5.3
539.22162	0.9
540.23303	1.1
546.25336	1.7
550.83856	0.8
564.26459	53.3
565.26910	1.7
576.33636	1.0
601.03943	0.8
618.34888	2.6
654.60864	0.8
662.33136	14.5
678.62769	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	663.302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.96196	0.8
67.05470	1.0
69.26326	3.2
69.26752	4.5
70.06602	1.1
75.34857	0.8
79.05486	1.3
81.07035	2.1
84.08112	0.9
86.09694	1.2
87.04444	0.8
91.05466	2.9
93.07071	2.1
94.06564	4.0
95.04950	1.1
95.08615	1.3
98.20750	1.6
105.07018	1.7
106.06544	7.5
107.07327	9.4
108.04499	1.3
108.08111	27.3
110.06010	2.1
110.09636	0.8
116.04988	1.5
116.10724	1.0
120.04447	4.2
120.08092	7.4
121.08907	1.6
122.06021	4.1
122.09663	21.2
123.50586	0.9
124.07555	1.0
132.04434	0.9
134.05998	1.5
134.09627	2.4
135.06789	2.2
136.07561	7.0
138.05438	1.1
140.07018	1.7
144.04431	3.0
146.05992	23.7
148.07553	11.8
150.09131	100.0
151.09439	1.0
152.07066	10.7
156.08124	0.9
158.06029	1.4
160.03998	1.0
160.07571	2.5
162.05479	1.4
164.07085	5.3
166.08627	49.8
172.03893	14.6
173.04187	0.8
174.05490	1.8
176.07066	1.4
177.05475	1.2
188.03433	0.9
190.04999	12.1
192.06464	1.2
192.10202	1.1
197.10760	1.6
198.11523	3.3
199.12189	1.2
201.10196	1.0
204.06538	19.5
206.08237	0.9
209.10744	3.3
210.09534	0.8
210.11418	4.8
211.12254	6.9
212.13046	2.4
213.10201	1.1
214.18034	3.3
215.18370	2.3
218.08165	2.5
220.09764	1.5
221.10770	1.4
222.11362	1.2
223.08733	1.0
223.12314	5.2
224.09564	1.1
224.13127	1.5
225.10223	4.9
225.13936	3.1
226.10976	2.4
227.11812	3.6
229.13341	1.6
235.08614	3.3
235.12367	1.7
236.09413	2.9
237.10197	9.1
237.13922	2.9
238.11011	7.6
239.11754	11.0
240.12575	1.3
241.13292	1.9
246.07501	1.9
248.09427	2.4
249.10237	12.5
250.10907	8.5
251.08127	1.2
251.11765	15.8
252.08798	1.1
252.12555	5.2
253.09741	2.7
253.13359	6.4
254.10347	0.9
255.11345	2.2
255.14917	3.9
256.12012	2.3
257.12827	4.6
259.14337	0.9
262.07150	1.4
262.10953	2.6
263.11758	31.3
263.14520	1.6
264.06290	0.9
264.08859	4.0
264.12469	8.2
265.09756	6.4
265.13336	15.1
266.10477	5.1
266.13751	1.4
267.11276	11.5
268.12051	0.9
269.12839	4.8
271.14389	2.6
275.11731	2.4
276.08801	1.5
277.09735	3.7
278.10510	5.4
279.11276	30.0
279.14410	1.5
280.11905	2.9
281.12851	25.0
282.09976	2.4
282.13162	1.2
283.10815	3.9
283.14441	8.9
284.11456	4.2
285.12277	10.9
287.13852	4.6
291.11246	26.4
291.14474	1.5
292.11960	7.8
293.12833	23.8
295.10751	5.5
295.14005	1.6
296.11456	3.3
297.12317	28.2
298.13022	4.3
299.13867	35.8
300.14346	1.3
303.13354	2.0
305.15030	4.1
307.10739	4.5
308.11383	1.2
309.12320	36.2
310.12979	3.2
311.10291	2.7
311.13879	13.3
315.13477	1.0
319.10748	18.1
321.12350	5.7
323.10153	6.6
323.16052	3.4
324.10947	1.0
325.11816	21.7
326.12582	1.2
327.13400	5.3
337.11789	94.2
338.12198	2.2
339.13330	6.3
341.15161	1.9
343.12796	2.4
344.17337	1.0
346.19171	1.5
357.14429	8.8
358.15314	2.6
360.20715	1.7
369.14383	7.7
370.15439	1.3
371.15869	1.8
374.18787	0.9
386.18692	1.5
388.20285	3.0
390.18018	0.8
398.14908	1.9
399.15518	2.3
401.13312	7.4
406.21133	2.4
414.17960	3.2
416.15564	1.8
416.20334	1.5
417.16315	1.0
430.21249	3.6
432.19089	3.5
433.19904	2.1
434.20660	3.4
440.16113	1.5
446.21335	7.2
448.22318	55.6
449.22729	1.6
450.19846	1.7
456.18677	1.1
458.16461	4.4
460.18542	2.6
464.18106	3.6
474.20233	78.1
475.20480	4.7
476.18152	3.7
482.19089	3.2
492.21356	8.4
494.18958	1.8
506.22830	38.5
507.23346	2.1
514.21906	1.5
526.21814	1.2
569.27618	1.4
571.25519	4.5
587.28656	2.3
595.25513	11.0
603.27179	0.8
613.26654	10.2
627.27179	1.0
631.27545	24.4
632.27765	1.1
663.30304	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	661.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.05511	2.1
65.03936	1.8
67.05499	1.7
70.06583	7.3
71.18775	2.5
72.08136	1.6
79.05492	2.9
80.04977	1.8
81.07073	2.0
84.04480	3.7
84.08140	4.2
86.09701	5.8
89.03941	1.3
91.05470	3.5
93.07079	1.3
94.06575	3.2
105.07013	2.0
106.06558	1.4
107.07323	10.3
108.04430	1.4
108.08115	37.6
110.09647	1.5
116.04996	5.0
120.04483	5.0
120.08089	6.1
122.06039	3.7
122.09655	19.9
124.07606	2.1
129.10277	2.1
133.10114	1.5
134.05995	3.8
135.06723	2.4
136.07582	5.2
138.09134	3.8
144.04433	7.9
146.06018	11.2
148.07588	2.1
150.09137	48.8
152.07086	2.8
160.03940	3.5
160.07573	1.5
162.05547	4.4
164.07085	4.1
166.08650	4.4
172.03923	29.2
174.05553	5.8
176.07077	6.3
177.05487	1.8
182.08122	3.1
190.04976	20.8
197.07129	1.7
197.10757	2.8
199.08701	2.0
204.06563	39.9
204.58107	1.4
207.09312	2.2
212.09299	2.6
213.10231	4.4
215.11789	4.5
224.09491	2.2
225.10303	3.4
227.11842	3.2
229.13440	3.1
235.08676	1.7
236.09361	2.0
237.10216	4.8
238.10866	3.2
239.08070	1.3
239.11906	1.7
241.09741	5.5
241.13278	1.9
243.11278	21.4
249.10269	2.8
250.10905	1.8
251.08157	3.0
251.11906	2.0
252.08835	2.8
252.12662	1.5
253.09787	3.5
255.11266	1.9
256.12100	2.0
257.12827	7.1
259.10718	1.5
263.08258	1.7
263.11807	2.2
264.09119	3.4
265.09930	3.2
266.10370	2.3
267.11212	2.4
269.09247	3.4
270.10043	2.3
271.10754	3.5
273.12265	2.1
277.09702	3.2
279.11218	4.5
281.09805	2.7
281.12866	9.2
283.10785	6.1
283.14371	4.8
284.11563	1.4
285.12302	36.3
285.15265	2.3
287.10208	7.0
291.11453	1.9
293.09058	1.7
297.12363	6.0
299.10315	3.0
300.14874	1.9
301.11911	4.8
302.12878	2.1
303.04956	2.8
303.13385	53.4
304.14160	1.8
307.10764	1.4
309.12299	34.8
311.13861	5.5
313.11942	2.1
314.16446	2.4
315.10266	2.1
316.11133	2.1
316.14484	3.2
317.15143	2.1
323.10275	9.1
325.11871	4.5
326.12848	3.2
327.13422	12.1
328.14389	2.2
329.11548	2.3
330.12390	3.8
330.16003	1.8
331.13342	1.7
331.17133	1.4
332.14291	2.1
337.11801	1.9
340.14377	2.1
341.15207	6.9
342.12387	2.3
343.13257	3.9
344.13882	5.9
345.15005	2.0
346.15262	3.9
347.16327	1.5
356.14029	2.7
357.14703	2.4
358.15530	6.7
359.13287	1.7
359.81628	1.5
360.13483	2.1
367.13040	1.4
368.14066	2.4
370.11859	4.0
371.12582	4.5
372.13419	5.7
373.14185	3.1
374.14786	4.1
382.15726	2.3
385.14108	4.3
386.15054	16.6
387.15854	7.9
389.13678	1.5
390.18207	2.2
396.13272	3.2
401.13519	2.1
402.13986	2.0
402.18497	2.3
403.14868	2.3
404.15927	5.1
406.17368	2.1
410.14771	2.0
412.16678	1.7
414.14514	17.0
415.15274	31.5
416.15668	2.5
418.17743	3.2
420.15527	3.0
428.15866	3.7
430.17813	2.7
432.15341	12.9
438.14996	3.2
444.15417	2.7
446.17099	3.6
456.15579	10.6
462.16678	11.9
474.16602	70.7
475.16519	1.7
488.18158	2.5
490.19672	1.9
494.18765	2.8
506.19266	15.8
523.23376	2.3
567.26398	2.8
569.24072	9.1
583.25427	6.7
593.24139	13.0
611.24945	100.0
612.25439	4.6
625.25964	3.9
629.25928	2.3
643.27148	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	662.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.3
55.47577	0.6
56.04754	0.9
56.05030	16.0
60.04521	1.0
61.01146	12.4
69.03423	1.4
70.02953	6.3
70.06593	6.7
70.32188	2.6
72.08150	35.0
74.06075	0.7
82.06552	1.3
82.32466	0.6
84.04500	8.1
84.08139	40.1
85.02910	1.4
86.09703	3.4
87.05585	81.3
88.03976	2.3
96.08134	1.1
98.02402	1.0
98.06050	13.5
98.21456	0.8
99.09221	1.1
101.10781	1.1
102.05534	5.7
104.05322	39.5
106.12270	0.7
107.02729	0.6
110.07150	1.3
116.07066	1.0
117.03369	1.0
119.04937	1.2
124.07591	1.8
127.08669	4.3
129.06546	0.8
129.10231	24.0
130.04977	1.0
130.08629	12.9
135.04468	1.2
136.07582	0.9
137.05962	1.1
139.04979	0.7
141.10257	5.9
141.14095	0.6
145.02850	5.4
145.06047	1.6
146.06335	38.7
147.04402	1.9
147.11267	12.9
149.05936	0.8
151.08701	0.7
152.07056	5.3
157.09700	1.5
163.03882	1.9
169.09709	5.5
173.07477	1.6
174.05833	31.6
177.05453	10.8
177.06860	0.8
179.85727	0.6
186.12358	10.9
187.10747	0.7
195.11328	1.2
197.09322	1.1
199.07253	0.6
201.12375	1.7
214.11850	3.2
216.13580	0.7
222.12410	1.4
229.11874	1.5
240.09959	0.7
240.13396	4.1
258.14511	13.3
276.15549	12.1
288.10107	25.8
339.10669	0.7
339.20056	1.0
342.15088	1.2
343.16174	2.2
343.19897	0.7
359.17416	10.9
375.22354	4.3
387.16931	19.2
472.24069	1.2
489.26584	4.1
499.18741	1.5
516.21216	2.4
644.30951	1.9
645.28937	1.0
662.31708	100.0
663.32245	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	661.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48743	0.5
55.05513	0.7
65.03945	0.8
67.05495	1.3
69.45315	1.3
69.45720	4.6
70.06586	1.9
70.53631	0.6
70.79373	0.6
72.08135	1.1
75.67262	0.5
79.05490	1.8
82.06565	1.3
84.04509	1.5
84.08139	1.1
86.09701	1.7
91.05482	2.2
93.05746	0.8
93.07036	5.1
94.06564	7.8
95.04964	0.8
95.07346	6.1
95.08609	0.8
96.08131	14.2
97.06511	0.8
102.05515	0.9
103.05485	1.4
106.06555	0.9
108.04480	0.9
108.08112	11.2
109.08916	0.9
110.07155	0.6
110.08912	1.2
110.09676	25.1
116.04993	2.0
116.10710	0.8
116.79087	0.6
120.04468	4.9
120.08102	18.0
120.51176	0.6
121.06521	0.6
122.06045	4.9
122.09729	0.6
123.06823	1.2
124.07586	7.1
127.58987	0.6
130.04999	0.7
132.43224	0.6
134.06023	1.7
136.07579	7.9
137.05948	0.6
138.05519	3.9
138.09135	36.2
144.04437	4.8
146.05989	4.4
148.07568	7.3
150.05519	0.8
150.09108	0.9
152.07092	1.7
159.09230	1.1
160.03928	1.6
162.05495	3.3
164.07076	1.2
166.05043	2.9
166.08633	63.2
172.03934	27.3
174.05545	1.4
176.07086	1.0
177.05359	0.7
178.04956	1.7
180.06535	0.7
181.04935	1.2
182.08167	0.7
184.09972	0.6
188.07219	0.6
190.04987	13.4
195.09062	0.7
197.10799	1.8
198.11504	0.8
199.08736	0.6
204.06555	12.5
209.10800	1.4
211.08669	0.7
211.12202	0.9
212.09447	3.2
213.10196	0.9
214.17960	5.8
216.06552	1.3
222.07813	0.5
222.11475	1.1
223.08609	1.5
223.12341	1.4
224.09532	2.2
225.10266	4.6
226.10986	0.9
227.11731	2.9
235.08722	1.5
236.09480	2.1
237.10188	8.4
238.11021	1.6
239.08121	1.5
239.11723	3.5
240.08902	1.0
241.09697	3.1
241.13588	0.7
245.12787	1.6
247.14450	2.3
249.10281	1.9
250.07332	1.6
250.10968	1.2
251.08177	1.9
251.11798	7.3
252.09009	1.7
252.12538	1.4
253.09702	6.4
253.13454	1.3
254.10364	0.7
255.11360	2.7
263.11880	1.8
264.08936	1.6
265.09708	15.6
266.10461	3.3
267.11304	4.7
268.08514	0.9
269.12961	2.6
271.10760	4.6
273.12274	5.4
277.09775	0.7
278.06619	4.3
278.09631	0.5
279.11298	7.4
280.08472	2.2
280.12009	0.7
281.09283	1.8
281.12915	3.4
282.10162	0.6
283.10727	6.0
284.11575	0.7
285.12375	3.0
287.13922	1.8
289.09705	0.9
291.11346	1.5
292.08304	1.8
293.09183	17.5
294.10004	4.6
295.10724	2.5
296.11731	1.0
297.12299	7.5
299.10312	3.1
299.13812	1.3
300.11115	1.9
304.14441	0.6
307.10794	4.2
309.12305	5.4
311.10193	2.9
312.11096	3.7
313.11798	5.4
315.13593	0.6
323.10300	2.0
325.11819	18.6
326.12396	0.8
327.13593	1.3
335.10242	7.1
340.10516	1.6
341.11334	17.3
342.12354	0.9
343.13013	2.0
353.11276	12.3
355.13046	0.9
356.13876	0.7
357.14417	4.8
358.15402	0.7
370.15503	0.6
373.13916	7.6
376.23499	1.3
382.12076	0.6
385.13934	3.9
386.15057	0.6
398.15097	1.6
399.15799	1.7
410.21011	0.7
416.15839	0.9
418.17371	1.1
432.19571	0.8
434.20712	2.4
437.19376	1.5
438.20209	0.7
442.17682	0.6
446.17081	1.6
450.19919	0.8
458.17120	2.9
460.18771	3.0
462.20099	1.4
465.18896	9.7
478.19690	5.6
488.18176	7.5
492.21606	0.6
493.22296	1.0
506.19211	100.0
507.19824	3.3
510.22363	1.3
520.20685	1.7
521.21344	2.5
538.21887	13.8
569.23059	0.7
611.25018	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	661.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.1
67.05508	9.2
69.78140	3.5
69.78546	6.6
70.06597	1.4
72.08144	1.6
79.05474	6.1
81.05794	1.6
81.07030	2.8
82.06575	3.5
91.05479	5.5
93.07050	10.1
94.06567	25.9
95.04971	2.5
95.07343	8.7
96.08128	22.8
97.06511	2.9
103.05467	2.5
105.07064	1.9
106.06527	3.6
107.07311	2.5
108.04445	3.6
108.08121	31.4
110.09681	36.0
110.29633	1.4
118.06542	1.4
120.04500	7.8
120.07241	2.2
120.08098	24.8
122.06034	21.3
122.09657	2.0
123.06823	1.4
124.07597	10.1
127.78113	1.3
132.08022	1.6
134.06026	1.6
136.07574	44.7
138.05463	1.6
138.09134	48.9
146.09518	1.6
148.07578	9.5
150.09123	4.1
152.07050	6.1
154.08566	2.1
158.09683	1.5
160.07632	2.3
162.05505	3.1
164.07051	5.1
166.07237	2.8
166.08635	55.6
168.08119	2.3
172.07593	2.2
172.11310	1.4
174.05539	2.2
174.09143	6.4
176.10828	1.4
178.04984	11.2
182.05995	2.2
184.07547	9.6
186.09148	2.7
187.08578	2.1
188.03433	28.3
188.10724	2.7
189.06532	1.9
191.11765	6.2
194.05965	2.1
196.06036	2.1
196.07597	16.6
197.08418	3.4
197.10640	1.4
198.09151	3.5
199.08577	2.4
201.06496	1.5
201.10240	2.7
204.10130	2.2
206.04512	3.5
209.10670	1.9
210.05513	17.2
210.09172	2.1
210.11404	1.6
211.08598	3.0
211.12270	3.0
212.07040	3.7
212.10773	1.8
213.10164	3.0
214.12331	2.3
215.04498	3.1
215.08199	2.5
215.11871	2.9
216.13853	3.6
219.11284	9.2
221.10677	3.0
222.05455	5.5
223.12288	4.4
224.07047	5.9
224.12917	1.6
225.10202	5.3
225.13959	2.1
226.08665	3.7
226.12190	1.8
227.08087	8.8
227.11736	3.8
228.06667	1.8
229.13220	2.0
235.12354	2.9
236.09419	1.8
237.10225	8.2
238.08701	2.9
238.10950	2.9
239.08150	8.7
239.11768	7.2
240.06482	5.2
240.10291	2.0
241.09560	8.2
242.08061	4.3
242.11763	4.1
243.11247	4.1
247.07092	2.4
248.10498	1.4
249.10229	10.1
250.08678	2.0
250.10956	8.3
251.07950	2.5
251.11769	22.6
253.09708	5.9
253.13373	4.1
254.04358	2.6
254.08078	4.3
255.11328	8.6
258.11380	2.2
263.11777	15.4
264.12576	5.3
265.09790	4.2
265.13345	6.7
266.04614	3.3
266.10452	4.8
267.11298	7.5
269.12766	4.2
271.14517	3.4
272.86545	1.7
273.10132	3.4
274.10974	1.7
275.11777	4.0
277.09683	4.7
278.10388	6.3
279.11310	15.0
280.12015	3.6
281.09576	2.8
281.12817	13.3
285.12302	7.6
286.11038	2.0
291.11224	6.0
292.11966	4.9
293.09607	2.2
293.12860	14.2
295.10727	3.1
297.12222	4.9
297.15747	1.6
302.10550	1.7
305.09097	1.9
307.09698	2.2
309.12344	3.5
311.13919	5.7
313.11819	6.4
313.15475	6.8
318.13156	1.8
319.14255	3.2
322.11890	4.5
323.13879	2.9
325.15509	4.5
329.12708	2.7
331.12888	6.2
337.11847	3.0
341.11340	2.9
347.13882	12.1
349.15442	2.9
357.14905	2.1
360.16913	3.0
362.14893	4.3
367.12665	2.7
368.12408	2.5
369.14856	2.4
372.17029	4.7
375.13394	43.3
378.18018	2.4
384.16943	2.1
386.14026	1.7
386.18509	6.4
392.16251	3.1
393.14429	4.4
402.18164	8.6
406.17242	2.5
407.15994	6.1
408.18900	3.3
414.18167	12.7
416.19739	2.7
418.21121	3.5
434.20999	21.9
444.19217	3.7
445.19629	2.1
446.20810	43.8
448.18640	2.9
453.31201	1.8
458.17093	2.1
463.33435	1.5
464.17999	2.5
476.17059	3.3
476.22641	2.6
478.23642	35.3
490.19550	10.8
496.21243	1.9
504.21140	4.3
508.20453	2.9
522.22473	7.9
539.26654	2.7
540.15350	2.4
540.23389	37.8
550.21796	1.6
553.27496	1.8
557.24097	2.1
567.26068	21.0
568.24310	3.1
569.23889	3.2
581.27478	4.4
585.26996	2.2
593.23535	2.7
597.26123	1.7
599.28632	100.0
600.29016	3.4
611.24750	5.9
625.26428	2.7
629.25946	11.7
643.27832	19.1
661.28650	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	660.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60314	0.5
54.09187	0.5
55.01855	1.4
56.05028	2.3
60.04518	1.5
67.05498	0.7
69.52621	4.5
70.02950	23.5
70.06593	2.5
71.06089	0.6
72.04506	0.8
72.08157	0.8
74.02432	3.7
74.06085	0.5
76.03996	7.6
82.06567	1.5
83.04988	1.3
83.06089	2.4
84.04504	6.9
84.08120	1.4
85.02846	0.6
86.09679	0.8
88.03991	2.9
92.99657	0.5
96.04476	0.9
99.05575	6.4
100.03968	0.7
102.05543	0.7
103.05098	1.2
107.06095	1.1
108.04470	1.2
109.07636	2.1
110.06028	1.1
111.04467	0.6
112.03936	1.1
116.03452	3.3
116.56238	0.6
117.06616	1.7
121.01057	1.7
124.03934	1.4
125.07127	1.7
126.05506	0.9
127.05049	1.6
129.06581	3.5
129.10245	0.7
130.05005	4.5
135.05540	1.0
136.03961	1.1
137.00592	0.6
137.07074	2.1
137.40071	0.5
144.47781	0.5
145.06076	100.0
149.00552	5.6
152.54152	0.5
153.06577	4.8
155.08141	2.8
160.00615	2.5
163.02167	2.5
163.03867	1.7
165.00063	0.6
165.06557	1.0
169.06090	1.5
175.02126	0.5
175.03947	0.6
177.05409	0.5
179.00056	0.6
179.01614	12.1
181.06058	1.5
183.07545	1.1
187.05347	0.8
189.00134	0.6
191.01572	1.0
192.99571	2.0
193.03185	1.4
193.06050	1.0
194.02699	6.8
195.01117	20.0
196.01144	0.5
199.07138	8.2
201.00006	0.7
207.01125	6.3
208.04292	2.2
209.02672	0.6
209.05556	0.7
211.07149	13.2
218.02736	0.9
219.01102	3.4
231.04411	0.8
236.03737	5.1
237.02261	1.5
257.07739	1.3
264.03253	30.2
274.10391	6.6
297.05331	1.4
322.03802	1.3
339.06409	4.4
347.06799	0.8
362.57648	0.6
365.07956	2.1
393.07465	11.1
405.07657	2.0
411.08139	0.7
423.08173	1.2
428.09982	2.5
468.10645	5.3
483.91550	0.6
531.12750	6.4
539.13147	0.9
585.13873	9.3
642.15448	0.8
660.06335	0.9
660.16992	16.2
676.40436	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	659.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
60.54748	0.4
65.03915	0.6
67.05486	1.2
69.03417	0.5
69.07046	0.4
70.06597	2.4
70.54548	0.4
71.33261	0.7
71.77735	0.4
72.08138	0.4
73.02913	0.5
75.05576	0.4
79.05450	1.0
80.04974	0.4
81.03392	0.7
81.07030	1.2
84.04481	0.8
84.08141	1.0
85.06506	1.3
86.09669	1.3
89.03873	0.8
91.05456	1.4
93.07025	2.1
94.06567	2.5
95.04935	0.5
95.07319	1.3
95.08592	0.8
96.08131	4.2
97.06494	1.0
99.07040	0.4
103.05436	0.5
106.06543	0.6
107.08599	0.4
108.04475	0.9
108.08095	3.8
109.10119	0.7
110.09676	6.1
116.04984	2.7
118.06536	0.6
120.04456	0.9
120.08096	5.4
121.06494	0.5
122.06030	5.2
124.07567	5.9
129.10191	0.5
130.06541	0.4
131.07388	0.4
132.04404	0.5
132.08051	0.5
133.05180	0.4
134.05981	1.0
136.07558	7.3
137.08380	0.6
137.09583	0.6
138.09143	7.5
143.08504	0.5
144.04434	7.0
146.05954	1.9
146.09621	0.5
148.07607	2.1
150.05495	1.4
152.06982	1.0
155.07275	0.7
157.10085	0.5
158.06010	0.6
160.03903	2.0
160.07544	0.4
161.07050	0.5
162.05473	4.1
164.07036	0.8
165.07799	0.8
165.09096	5.1
166.08630	9.7
167.07094	0.4
168.08087	0.4
169.08899	0.6
170.09616	3.6
172.03926	30.6
172.07573	0.8
172.09911	0.7
172.11201	1.0
173.04480	1.0
174.05489	0.6
174.09163	0.7
175.08606	1.5
178.05000	0.7
180.07945	0.4
182.09689	0.6
183.06812	1.2
184.07465	0.4
184.11189	1.0
186.09106	0.9
187.08562	0.6
187.12273	5.7
190.05008	7.6
197.10725	0.8
198.09140	24.0
200.09180	3.0
200.10770	1.4
201.13904	0.8
204.06549	43.9
205.06944	0.5
210.09201	0.5
211.12125	0.4
212.10814	5.0
213.10138	1.1
214.08612	0.7
215.11781	18.5
216.10078	0.6
225.10185	1.9
225.92171	0.4
226.08632	7.2
227.08160	1.8
227.11818	2.0
228.08887	1.1
229.09631	0.7
229.13399	1.1
230.10626	0.4
231.11203	0.9
237.10262	0.8
239.11870	1.0
240.10291	3.0
241.09758	2.3
241.13411	1.8
242.10294	2.1
243.11279	100.0
244.11607	2.4
251.11760	0.8
253.09882	0.7
255.11261	6.8
256.11749	0.6
257.12817	5.5
259.10852	0.5
265.09665	0.5
267.11313	1.0
269.09360	0.6
269.12726	0.7
279.11276	1.4
283.10742	0.9
284.11691	0.8
285.12320	99.8
286.12781	2.2
293.09119	0.8
295.10815	0.5
297.12103	1.9
298.12952	0.6
301.11795	7.1
302.12540	1.2
303.13376	95.5
304.13657	1.8
305.11230	0.6
307.10538	0.6
309.12344	0.5
313.11844	0.9
325.11752	6.1
329.14969	0.8
337.12885	0.5
339.13898	0.7
343.12943	2.4
357.14575	3.8
358.15247	1.6
359.16058	0.7
367.14066	0.5
385.15253	0.7
400.16714	0.5
418.17737	2.0
429.14526	0.6
430.17490	1.3
443.35202	0.8
446.16882	0.5
446.98669	0.5
462.16293	2.6
470.17419	2.4
474.16559	3.2
476.18234	3.2
484.18713	0.5
488.18137	1.4
494.19193	0.9
583.25488	4.2
599.24890	1.8
609.23083	1.3
613.26544	1.2
623.24811	1.5
627.24280	5.7
641.26044	11.6
642.25995	0.5
659.26392	0.4
659.34045	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	659.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.8
63.86348	1.3
67.05505	3.7
69.03402	2.1
69.07060	1.8
70.04461	7.1
70.06602	9.1
72.08159	4.5
75.90038	1.6
79.05479	4.5
81.03406	3.6
81.07048	3.4
82.06586	2.1
84.04503	2.7
85.02903	2.0
85.06541	3.2
86.09708	4.1
91.05463	4.6
93.07019	4.8
94.06567	2.3
95.04956	2.1
95.08546	1.9
96.08128	4.4
97.06565	1.7
100.43020	1.7
102.05564	1.6
105.07030	1.9
108.04488	1.9
108.08096	7.4
109.10168	2.1
110.09678	6.9
112.47872	1.5
116.05023	1.9
120.04425	2.5
120.08090	9.2
121.06506	3.1
121.10112	2.5
122.06027	5.4
124.07595	5.6
132.08031	2.3
136.07587	10.6
138.09077	9.1
141.65323	2.3
144.04471	4.7
144.08090	1.9
146.06013	2.8
147.04333	2.1
148.07590	3.3
150.05588	1.9
151.12114	1.7
155.33479	1.5
159.09186	3.8
162.05505	4.4
165.09091	10.1
166.08661	12.8
167.07152	1.9
170.09616	2.7
172.03922	28.2
174.05508	1.8
175.08745	1.9
177.05452	2.9
180.03215	1.6
181.04915	2.4
187.12305	4.4
189.42946	1.7
190.05051	6.9
198.09161	24.6
200.10855	1.6
204.06560	42.0
212.10809	3.5
213.10152	1.7
215.11807	18.0
225.10170	2.4
226.08643	4.4
227.08119	2.0
237.10152	1.8
240.10133	2.9
241.09782	3.2
241.13362	2.7
242.10603	2.0
243.11287	100.0
244.11620	2.1
255.11317	5.8
256.32803	1.6
257.12869	6.9
265.09665	1.9
279.11490	2.0
283.10522	2.0
285.12320	94.4
286.12659	2.3
301.11884	8.7
302.12531	2.1
303.13376	92.2
304.13776	2.9
305.11398	3.0
309.12628	1.8
311.10248	3.4
313.11938	1.7
325.11813	5.2
339.09720	3.5
357.14502	4.8
358.15298	2.3
371.12390	3.7
418.17426	1.6
462.16840	1.9
474.16385	3.7
504.17325	3.2
583.25000	3.6
599.25262	3.1
609.23370	3.7
627.24329	9.2
641.25916	9.1
659.26208	3.4
663.27020	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	659.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67191	0.7
52.29182	0.8
53.03939	5.6
55.01870	4.0
55.05507	9.4
57.03432	22.6
57.07064	1.6
61.02922	81.3
65.03922	1.6
67.05500	35.9
69.03424	31.8
69.07064	9.9
69.14948	0.7
70.18482	4.1
71.01344	5.0
71.04982	3.8
71.63204	0.7
73.02512	1.5
73.02909	24.8
75.04456	1.3
77.03911	0.8
79.05486	24.9
81.03413	20.9
81.07047	37.2
83.01318	1.4
83.04952	4.7
83.08617	4.4
85.02898	100.0
85.06539	1.2
87.04457	3.6
91.03947	60.9
91.05467	14.4
91.15136	0.8
93.07038	29.5
93.80553	0.7
95.04954	4.1
95.08598	30.6
97.02882	74.8
97.06519	2.4
97.10153	2.2
99.04448	13.7
99.08077	1.1
101.02361	8.0
103.03934	8.5
105.07024	11.5
107.04953	1.4
107.08579	16.0
109.02873	13.0
109.06519	2.9
109.10139	10.8
111.04430	3.3
111.07999	1.0
111.11704	1.0
115.03922	7.0
117.05463	3.4
117.07017	4.9
119.08575	10.6
121.10131	11.0
123.08040	1.5
123.11688	5.6
125.09573	1.2
127.03907	35.8
129.05473	5.0
129.07013	2.5
131.08546	8.7
133.10138	6.6
135.08118	1.1
135.11691	8.1
137.13206	1.7
139.03891	0.8
141.06938	0.8
143.08521	1.9
145.04942	23.5
145.10101	7.5
147.07985	1.2
147.11670	6.1
148.35539	0.9
149.09595	1.2
149.13223	5.5
151.11142	1.0
157.04903	1.0
157.10159	2.4
159.06534	1.8
159.07906	0.9
159.11679	7.5
161.13223	4.5
163.06047	8.7
163.14763	3.7
167.44374	0.8
168.44737	0.8
171.06525	2.1
171.11678	1.7
173.13206	5.5
175.11075	1.1
175.14798	1.9
177.12706	0.8
177.16521	1.0
182.89165	0.8
183.06516	6.4
185.13231	1.3
187.11075	0.9
187.14775	2.8
197.13176	0.9
199.14856	1.6
201.07591	4.1
201.16347	1.2
219.08649	0.8
223.14751	1.1
238.92143	0.8
243.21071	3.2
259.20532	2.3
261.22113	16.5
285.21976	1.3
301.21545	1.3
303.23148	2.7
315.23169	1.6
317.24673	1.4
327.23068	1.6
335.25772	59.5
336.26215	1.5
351.23029	1.1
353.26816	0.9
363.25333	3.1
369.24084	2.3
377.26831	1.1
387.25269	1.0
443.27878	3.0
461.28845	2.5
479.30112	6.4
497.31436	1.8
659.35669	1.3
683.38922	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	659.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78828	0.9
55.05493	1.3
60.08937	0.9
63.02359	1.0
65.03933	3.5
67.05492	4.5
69.03442	1.5
69.07065	1.9
69.94235	0.9
70.06580	6.2
70.80569	2.0
70.80907	0.9
72.08141	2.6
76.25906	0.9
79.05478	4.2
80.05007	2.3
81.07045	2.2
82.06549	2.3
84.04505	2.4
84.08141	2.4
85.02899	1.8
86.09689	5.9
89.03907	2.9
91.05473	4.9
92.05007	1.6
93.05750	1.6
93.07023	7.4
94.06565	15.4
95.04974	2.8
95.07352	8.1
95.08585	1.9
96.07566	1.6
96.08126	17.4
97.06496	2.2
103.05472	3.2
105.05824	1.1
105.07021	1.0
106.06544	1.8
107.04937	2.6
108.04446	2.3
108.08112	15.3
109.06512	1.7
109.08900	0.9
110.09675	21.9
116.04973	7.1
118.06517	1.2
119.04969	1.5
119.08617	1.0
120.04433	5.6
120.08092	21.6
121.06502	7.8
121.10113	1.2
122.06016	16.4
122.09658	1.1
123.04430	1.1
123.06783	0.9
124.07581	11.7
125.05968	0.9
127.03933	1.0
128.26439	0.8
129.10265	1.6
131.04900	1.7
132.08076	1.3
133.02814	1.4
134.05977	3.9
136.07573	20.0
137.05972	7.1
138.05481	9.3
138.06442	1.2
138.09123	32.1
138.89464	1.0
140.94574	0.9
144.04434	16.0
145.02869	2.3
146.05997	16.8
147.04393	1.4
148.07573	10.8
149.05984	1.7
150.05499	7.1
151.03848	1.3
152.07056	3.9
153.05487	2.0
156.08020	1.0
158.05894	1.1
160.03932	2.8
160.07536	1.1
161.05983	2.5
162.05476	7.9
163.07619	1.1
164.07043	4.6
166.08624	45.4
167.07059	4.2
168.06616	1.6
168.08076	1.0
170.09619	1.9
172.03922	73.3
173.04207	1.1
174.05466	2.9
176.07047	1.9
177.05470	3.1
178.05002	1.2
180.06584	1.4
181.04927	10.1
184.09863	1.5
187.12299	1.5
190.04979	37.2
191.06958	1.5
192.06459	1.6
193.08586	1.1
197.10724	2.4
198.09172	4.9
198.11462	1.1
199.08762	1.2
199.12419	1.3
201.05504	1.7
204.06541	100.0
205.06816	1.9
207.06635	1.1
209.07999	1.6
211.08595	1.8
212.09273	1.6
213.10284	4.7
215.11792	4.3
221.08109	2.6
223.08696	2.0
224.09454	3.5
225.10153	4.4
226.08723	1.2
227.11769	4.2
229.09634	1.5
233.08112	1.2
235.08502	1.3
236.09399	3.2
237.10226	7.9
238.10930	2.7
239.08035	1.5
239.11804	3.9
241.09628	4.6
243.11296	16.6
245.12907	2.4
249.07707	1.7
249.10191	5.0
250.07039	1.3
250.11040	2.6
251.08191	2.7
251.11768	4.2
252.08673	1.2
253.09654	3.6
253.13385	1.1
255.11298	7.6
257.12872	3.0
259.10703	6.1
261.10248	1.1
263.08374	1.5
263.11725	2.4
264.08817	2.9
265.09738	7.8
266.10519	2.3
267.11273	3.5
269.09097	1.5
269.12674	2.1
271.10770	4.3
273.12280	8.2
277.09692	2.5
278.06882	1.3
278.10315	2.2
279.08377	0.9
279.11273	5.8
280.08481	0.9
281.09286	1.5
281.12839	3.3
283.10715	7.5
285.12296	24.4
287.10263	2.0
287.14056	1.1
291.07770	1.7
293.09085	1.3
295.10565	2.1
297.12222	6.7
299.14005	2.8
301.11731	1.9
302.12985	1.5
303.04971	1.0
303.13467	6.3
305.08817	1.3
307.10760	4.2
309.08527	1.5
309.12234	1.7
311.10376	4.4
313.11801	11.3
314.13165	1.8
315.12134	5.5
316.10757	1.0
316.14600	1.4
318.12448	1.2
318.16104	1.9
323.10239	14.7
324.11172	1.5
325.11801	39.4
326.12488	2.8
327.13724	2.6
328.10825	1.4
329.11761	1.2
330.12350	1.5
331.13736	1.6
332.14136	2.0
337.12018	1.0
339.09573	3.8
339.13470	4.2
340.14334	1.9
342.12686	1.2
343.12830	11.2
344.13916	1.6
345.14359	1.9
346.15601	1.2
351.09760	3.9
353.11331	1.7
356.13736	2.5
357.10190	2.0
357.14401	23.8
358.11444	1.1
358.15414	3.8
367.02002	1.4
368.13837	1.1
369.10889	1.4
370.11563	1.2
371.12646	1.8
372.13257	2.0
373.14410	1.7
374.15024	5.5
376.16992	1.6
378.18036	1.1
383.12463	1.5
386.15018	15.0
387.15683	2.0
392.15973	2.2
396.13220	1.8
400.16339	1.7
402.14163	2.2
403.13992	1.4
404.15955	6.6
414.14249	2.6
415.14627	2.6
416.15970	1.9
417.15729	1.2
418.17712	6.0
428.15756	3.8
434.17160	11.9
438.14502	2.7
442.17502	1.1
444.15555	2.2
446.17102	12.2
456.15445	5.1
458.17050	3.8
460.18359	3.7
462.16400	7.4
474.16534	9.5
476.18216	4.9
478.19647	28.7
479.20105	1.2
486.16693	5.0
488.18170	4.0
504.17661	21.4
505.18433	1.5
506.19128	2.2
510.22403	9.3
536.20276	2.2
539.23413	1.2
557.23694	2.1
567.22070	1.2
581.24060	4.9
582.22913	1.1
585.23700	1.3
599.24957	54.4
600.24878	2.6
609.23370	7.4
623.24701	1.2
627.24353	24.3
628.24115	1.4
629.21570	1.2
631.27191	2.0
641.25330	4.9
659.27130	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	659.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
54.24797	0.5
55.01860	0.7
65.03940	1.4
67.05500	1.8
69.87765	3.2
70.06602	2.5
72.08155	1.1
77.03941	0.6
79.05480	2.7
80.05022	2.1
81.03441	0.5
81.05791	0.6
81.07040	0.8
82.06572	1.6
84.08160	1.2
86.09713	2.8
89.03923	1.3
91.05482	2.3
92.04996	0.7
93.03394	0.5
93.05789	1.6
93.07063	4.3
93.82173	0.5
94.06571	8.8
95.04969	1.2
95.07343	4.8
96.08133	11.4
97.06520	0.7
103.05483	1.7
106.06548	2.9
107.04966	1.7
107.07357	0.5
108.04474	4.2
108.08118	17.4
109.08926	0.5
110.06042	1.2
110.09680	18.1
116.04984	4.8
118.06562	1.3
119.35531	0.6
120.04469	5.2
120.08110	13.9
121.06496	4.3
122.06017	6.4
122.06793	0.7
123.06831	1.2
124.07589	10.9
129.10263	1.0
131.04892	1.0
132.04477	1.3
132.08122	0.7
134.06024	4.4
136.07582	14.1
137.05984	1.3
138.05528	0.9
138.09138	18.7
144.04448	8.6
145.02875	0.6
146.06015	8.7
146.07097	0.9
148.07571	6.2
150.05525	0.7
152.07109	3.3
158.06065	0.6
158.09720	0.6
159.05670	0.6
160.03960	3.5
160.07620	1.7
161.06024	0.7
162.05502	5.3
163.68666	0.5
164.07069	4.7
166.05005	0.6
166.08647	22.1
167.07054	0.5
170.08424	0.6
170.09702	1.1
172.03937	30.2
174.05524	3.6
176.07079	7.5
177.05550	1.1
178.05051	0.8
181.04958	0.7
182.09676	1.1
183.09181	0.8
184.09949	1.3
185.07162	0.7
185.10840	1.6
187.12257	1.2
188.07089	0.9
189.05502	0.9
190.04982	31.8
191.05367	0.6
191.07123	0.6
192.06528	0.9
195.09300	0.7
196.07568	0.8
196.09958	1.0
197.07065	1.0
197.10745	1.8
198.07777	1.0
198.09366	1.1
198.11494	0.8
199.08649	2.9
199.12271	0.9
201.05557	1.1
201.10155	1.1
204.06555	54.3
205.06955	1.0
208.09773	0.6
209.10782	1.2
211.08736	2.1
211.12357	0.6
212.09239	2.8
213.10187	6.4
214.10950	0.9
215.11829	3.8
221.08095	0.5
221.10718	0.8
223.08725	2.1
223.12265	0.7
224.09491	2.4
225.10202	4.9
226.08725	1.3
226.11005	0.8
227.11739	3.5
229.09863	0.7
229.13519	0.9
235.08757	1.0
236.09502	2.4
237.10294	4.6
238.11072	2.5
239.08110	1.1
239.11833	2.2
241.09692	4.8
243.11307	18.5
245.12946	1.4
247.08736	0.7
249.10201	3.2
250.10977	1.3
251.08266	1.6
251.11792	4.1
252.09010	1.6
253.09792	3.0
253.13289	0.8
254.10724	0.7
255.11292	3.1
256.12134	1.6
257.09180	0.8
257.12894	2.3
259.09512	3.2
262.11182	0.6
263.08185	2.4
263.11761	1.5
264.08951	4.4
265.09763	3.4
266.10458	1.4
267.11298	2.0
269.09244	4.3
269.12439	1.0
270.11414	1.5
271.10846	3.3
273.12314	10.1
274.13123	0.8
277.09821	2.9
278.10550	1.3
279.11279	5.5
281.09326	1.4
281.12906	1.6
283.10818	7.8
284.11578	1.7
285.12341	33.7
287.10257	10.6
288.11258	0.7
289.12637	0.7
290.12833	0.7
291.11218	0.8
293.08972	1.6
294.10077	1.2
295.10657	1.5
296.11691	0.9
297.12289	10.6
299.10342	2.0
299.14014	6.1
300.11606	1.0
300.15042	2.4
301.11905	4.6
302.12787	3.3
303.13388	33.7
304.14273	1.5
305.09329	0.8
305.12576	0.8
307.10791	2.1
308.55118	0.6
309.12271	1.3
311.10300	2.5
312.11810	0.6
312.15268	0.8
313.12164	2.7
313.15686	0.7
314.13007	1.7
314.16632	1.5
315.10236	1.8
315.13824	1.3
316.10892	3.2
316.14502	2.5
317.15326	1.3
318.15955	1.3
319.17020	0.7
323.10257	8.4
325.11838	40.1
326.12900	2.8
327.13644	7.0
328.10852	0.8
328.14447	1.8
329.11310	2.5
329.15234	1.3
330.12436	4.1
330.15930	1.0
331.13300	1.4
332.14047	1.2
337.12003	1.7
338.13101	0.5
339.13614	1.9
340.14502	2.1
341.12308	1.1
342.12234	2.6
342.16269	1.2
343.12921	9.6
343.16739	0.9
344.14093	5.1
345.14767	1.6
346.15604	3.9
347.16266	2.0
352.11545	1.5
353.11292	0.8
354.12640	2.4
355.13464	0.8
356.10135	0.8
356.14072	1.3
357.14545	10.0
358.11819	1.6
358.15564	8.1
359.16699	1.0
360.13361	0.7
360.17368	0.8
361.14398	0.9
367.13107	0.8
368.14218	1.7
369.14951	0.8
370.11929	3.8
370.15204	0.8
370.16010	1.2
371.12558	4.6
372.13297	7.0
372.17004	0.9
373.14246	2.3
374.15091	4.5
374.17874	0.9
374.19113	1.1
376.16754	1.9
381.10773	1.6
382.11301	0.8
382.15692	1.1
383.12607	1.3
384.13327	1.5
384.17615	0.8
385.14490	3.7
386.15015	16.4
387.15912	5.9
388.12653	1.4
388.16742	1.4
389.13760	0.8
390.18484	0.9
392.16061	2.0
393.17215	0.6
394.17706	1.5
396.13452	1.2
398.15106	1.2
399.16324	0.9
400.12445	1.2
400.16742	1.9
401.13303	1.1
402.13696	3.3
402.18381	2.1
403.15234	2.5
404.15961	9.4
406.17606	4.5
410.15042	2.2
412.16690	1.7
413.14615	1.3
414.14484	14.7
415.15305	28.3
416.15970	3.7
417.16907	1.2
418.17792	3.8
420.15421	5.6
426.14502	0.9
427.15311	0.8
428.15997	3.8
430.17767	5.1
432.15585	18.2
433.16272	1.8
438.16370	3.6
444.15515	5.1
446.17139	4.6
447.17966	0.8
456.15524	10.0
458.16953	1.1
460.17773	1.0
462.16586	22.5
463.17224	0.7
464.18118	2.4
474.16611	68.7
475.16864	2.3
476.18106	3.9
488.18033	1.7
494.19327	2.2
506.19269	12.6
555.27203	0.7
565.24652	0.9
567.22906	1.1
568.23029	1.0
581.23999	4.7
583.25671	4.8
585.23401	13.1
586.24384	0.8
591.22327	1.4
599.25177	4.8
609.23425	16.7
610.23322	0.9
623.24683	1.0
627.24481	100.0
628.24817	4.4
641.25842	0.9
659.26862	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	659.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.2
61.37918	3.3
67.05505	5.7
69.03419	4.8
70.06575	11.3
71.60433	6.7
78.80496	3.9
79.05482	7.8
81.07034	7.3
84.04491	8.5
84.08135	16.8
86.09702	18.4
91.05447	4.3
92.21775	4.2
93.07051	8.2
94.06564	10.9
96.08121	4.8
106.06537	7.0
108.08099	10.7
120.04504	3.6
120.08107	11.9
121.10132	4.7
122.06017	5.7
124.07588	12.1
129.10233	6.7
134.05989	17.4
136.07573	55.5
138.09076	4.1
146.05981	8.0
148.07578	16.3
150.09142	5.1
152.07054	45.8
164.07025	4.0
166.08641	17.0
166.26912	3.8
172.03917	16.4
177.05392	3.7
180.06552	17.3
183.90974	4.2
190.04980	17.7
197.10741	6.1
198.11459	6.1
204.06566	19.2
209.10796	4.6
210.11534	7.5
211.12308	10.0
213.10257	5.1
223.12343	15.0
225.10249	18.0
226.10980	8.2
227.11847	9.3
235.08667	4.7
237.10185	20.7
238.10910	12.3
239.11752	18.5
240.73528	4.1
249.10223	11.2
250.11165	4.1
251.11798	21.2
252.08810	6.4
253.09650	8.9
253.13313	8.4
256.12009	8.1
262.11066	7.4
263.11780	22.6
264.08929	4.4
264.12567	5.1
265.09613	20.5
265.13458	8.7
266.10519	11.5
267.11267	31.0
269.12885	10.6
271.10703	4.7
271.14392	11.7
278.10648	4.9
279.08368	7.2
279.11234	45.3
280.12088	6.6
281.12820	11.3
283.10712	14.9
284.11539	17.7
285.12308	52.4
287.10251	9.0
287.13715	4.9
291.11240	16.6
293.09503	4.8
293.12750	12.3
295.10855	8.8
296.11588	6.2
297.12347	64.5
309.12225	20.1
311.10229	10.2
313.11853	9.3
319.10739	13.4
321.12335	14.9
323.10272	15.4
325.11862	18.6
327.13486	13.1
337.11792	43.0
339.13370	5.3
346.19208	10.0
357.10904	6.2
358.15381	5.6
360.17014	6.5
371.12259	9.5
373.13815	4.0
385.14536	4.3
386.14951	7.4
390.18179	6.8
392.19531	14.6
402.18109	13.8
404.16068	10.5
418.17517	6.0
420.19489	4.3
421.52774	4.1
430.17673	16.5
448.18613	29.6
450.16275	7.0
460.18701	22.5
461.19601	6.2
463.17340	45.0
464.18170	25.6
476.18283	18.3
490.16092	15.9
491.16672	12.4
492.17529	15.9
493.22177	7.4
504.17636	100.0
505.17996	11.5
506.19077	21.7
536.20306	34.6
537.20966	13.4
544.44794	4.3
581.24011	6.3
609.23413	30.6
627.24561	77.4
641.25928	9.6
659.27155	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	658.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05513	8.0
57.03419	1.6
57.07071	4.8
64.39576	0.8
67.05500	30.3
69.07063	10.4
69.90855	4.4
71.04983	3.1
71.08627	3.1
79.05489	20.5
81.03415	0.8
81.07051	43.7
81.64397	0.6
83.04982	1.2
83.08605	3.0
85.06541	5.3
85.10171	1.5
88.41834	0.7
89.06039	4.9
91.05482	12.2
93.07041	18.8
95.04964	2.1
95.08601	41.5
96.08917	1.0
97.06519	2.0
97.10149	1.6
98.21471	0.8
98.98405	0.9
99.08113	1.2
105.07008	7.1
107.08588	6.8
109.10159	2.8
117.07043	1.7
119.08569	5.3
121.10138	8.4
123.11703	1.7
131.08557	3.0
133.08618	3.7
133.10120	2.0
135.11655	3.6
141.54388	0.7
145.10117	1.6
146.29265	0.7
147.11662	4.8
149.13275	1.2
150.47404	0.7
159.11758	1.3
161.13252	0.8
165.12776	3.0
177.07133	0.7
177.11279	1.3
183.13824	1.0
194.02817	0.7
208.16965	5.8
226.18045	6.8
257.17499	1.5
261.21918	1.5
306.14551	2.8
324.15787	1.1
335.25732	2.2
362.17398	1.9
380.18369	4.5
517.38861	100.0
518.39148	6.9
640.39679	8.2
654.37427	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	659.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.5
53.66919	0.4
54.73061	0.4
55.82881	0.4
63.48709	0.4
65.03903	1.0
67.05451	0.8
69.07005	0.5
70.02988	2.1
70.06561	0.8
72.34090	0.4
79.05482	2.0
80.04951	1.2
81.05756	0.6
82.06508	1.3
84.04472	0.6
84.08091	0.7
86.09662	0.9
89.03854	1.3
91.05417	1.4
92.04988	0.5
92.72617	0.4
93.05719	1.4
93.07040	4.5
94.06574	7.8
95.04921	0.8
95.07350	4.8
96.08131	9.7
96.08720	0.4
97.06451	0.6
103.05408	1.2
105.05740	0.6
106.06464	1.5
107.07306	0.7
108.04472	3.3
108.08108	12.1
109.08853	0.5
110.05986	0.8
110.09679	12.8
116.05000	4.2
118.06449	1.3
120.04453	4.2
120.08099	10.5
121.06447	0.8
122.06029	6.7
123.04321	0.4
123.06796	0.7
124.07587	10.8
132.04343	0.4
134.06021	3.6
136.07576	10.9
138.05412	1.3
138.09134	16.2
144.03427	0.5
144.04446	7.5
144.08057	0.8
145.07678	0.5
146.06000	8.2
148.07544	5.4
152.07007	2.8
158.05916	0.6
160.03896	3.0
160.07497	1.5
162.05518	6.4
163.06258	0.5
164.07060	2.5
166.08640	18.1
168.08023	0.9
170.08241	0.5
170.09593	0.6
172.03934	29.5
172.07491	0.8
174.05525	3.7
176.07068	5.9
177.05452	0.7
178.04967	0.5
181.04845	1.3
182.09636	0.5
183.09047	0.8
185.10684	1.8
186.09140	0.9
187.12277	0.7
188.07016	1.0
190.04980	24.6
191.05402	0.6
192.06595	0.7
195.09097	1.0
196.07642	0.5
196.09845	0.6
197.07004	1.3
197.10710	1.6
198.07796	1.6
199.08582	1.8
199.12137	0.7
200.09369	1.0
201.10158	1.1
204.06554	48.0
205.06885	0.8
207.09085	0.6
208.06024	0.5
209.10721	0.9
210.09265	0.4
210.11447	0.6
211.08618	1.8
211.12288	0.8
212.09294	2.5
213.06850	0.5
213.10239	7.0
214.10852	1.1
215.11795	3.4
222.11394	0.5
223.08569	1.6
223.12221	0.7
224.09398	2.3
225.10150	3.6
226.08560	1.4
226.10904	1.2
227.11765	3.1
228.12396	0.7
229.09671	0.9
229.13281	1.0
231.11176	0.5
233.10648	0.7
235.08612	1.6
236.09427	2.8
237.10229	4.2
238.10959	3.2
239.08089	0.8
239.11778	2.1
241.09647	4.8
242.10648	0.9
243.11282	14.3
244.11729	0.5
245.12982	1.0
249.10202	3.0
250.10985	0.9
251.08073	0.9
251.11836	2.4
252.08850	1.2
252.12447	0.6
253.09749	3.2
253.13329	0.6
255.11346	3.6
256.12021	1.1
257.09018	0.9
257.12775	1.9
259.10873	0.8
262.11212	0.5
263.08102	2.2
263.11682	0.8
264.08902	4.8
265.09674	3.3
266.10419	1.0
267.11215	2.4
269.09149	5.3
269.12381	0.9
270.09973	0.8
271.10721	2.5
271.14093	0.8
273.12311	7.9
274.12997	0.7
275.14008	0.6
277.09705	2.3
278.10605	0.6
279.11319	4.1
280.11926	0.8
281.09204	1.6
281.12854	1.7
282.09946	1.0
283.10742	6.5
284.11566	1.7
285.12338	27.6
286.12967	0.7
287.10236	8.9
288.11523	0.5
288.14856	0.9
293.09146	1.4
294.10065	0.8
295.10663	1.5
296.11609	0.9
297.09171	0.7
297.12329	10.2
299.10468	1.3
299.13919	6.0
300.11844	0.6
300.15079	1.1
301.11761	3.8
302.12878	3.2
303.13382	32.7
304.14175	1.9
305.08978	0.5
307.10706	1.9
308.11581	0.5
309.12256	0.9
311.10254	1.5
311.13748	0.5
312.11377	0.7
312.15045	0.6
313.12012	2.0
314.13113	0.7
314.16431	1.5
315.10291	0.9
315.13867	1.0
315.17383	0.6
316.10782	2.5
316.13904	2.6
317.11993	0.5
317.15302	1.3
318.15930	1.3
319.10690	0.8
319.16913	0.7
321.12244	0.6
323.10248	7.9
324.11090	0.7
325.11832	38.2
326.12543	2.2
327.13788	4.0
328.11017	1.2
328.14804	2.1
329.11481	3.2
329.15268	1.3
330.12323	4.2
330.16022	1.4
331.13153	1.3
332.13821	0.9
332.17542	0.7
339.13727	0.8
340.14856	0.8
341.15536	0.7
342.12241	2.4
342.15921	1.2
343.12939	7.7
343.16821	0.8
344.13904	3.8
345.14679	2.1
346.15518	2.8
347.16147	1.4
353.11334	0.8
354.12515	1.2
354.16415	0.8
355.13321	0.7
356.10144	1.0
356.14026	1.6
357.14493	9.1
358.11768	1.3
358.15552	7.6
359.16437	1.0
360.13300	0.6
360.17194	1.3
361.14029	1.0
367.13171	0.6
368.13947	1.4
370.11505	2.5
370.16003	0.8
371.12573	4.3
372.13412	5.1
372.17242	1.0
373.14127	2.4
374.14963	3.1
374.18924	0.8
376.16553	1.4
378.13779	0.4
378.18362	0.6
381.10892	1.2
382.11282	0.6
382.15497	1.3
383.12512	1.2
384.13397	1.4
384.17548	0.9
385.14447	3.5
386.15030	15.1
387.15869	5.4
388.12656	1.3
388.16656	1.5
389.13724	0.7
390.18130	1.1
392.16055	2.2
394.17621	2.2
396.13287	1.3
398.15076	0.9
400.12234	0.7
400.16608	1.6
401.13721	1.4
402.13583	2.9
402.19092	2.4
403.15030	1.9
404.16034	8.7
405.16827	0.6
406.17606	4.0
410.15091	1.9
412.16806	1.3
413.14636	1.2
414.14484	14.4
415.15286	24.9
416.16125	2.9
417.17044	0.9
418.17670	4.0
420.15622	4.3
428.16080	3.2
430.17679	4.1
432.15509	16.3
433.16263	1.0
438.16559	2.8
444.15594	3.5
446.17169	4.6
456.15463	7.1
458.17004	0.5
462.16605	22.8
463.16959	1.2
464.18149	2.5
474.16608	61.8
475.17023	2.5
476.18225	2.6
482.01956	0.5
488.18100	1.1
494.19342	2.2
506.19281	11.5
507.19604	0.9
565.24127	0.6
567.22247	1.0
568.22955	0.6
581.24158	4.2
583.25586	4.4
585.23419	11.1
586.23413	0.5
591.22479	1.8
599.24976	5.8
609.23413	14.0
610.23505	1.1
627.24481	100.0
628.24756	7.0
641.25964	0.9
651.55432	0.6
659.27429	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	657.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29256	0.2
55.05463	0.2
56.04987	0.4
60.04467	0.2
66.25037	0.2
69.03383	0.3
69.07034	0.4
70.02911	0.2
70.06525	6.3
71.06861	0.4
71.57763	0.2
72.08085	2.6
74.06030	0.6
81.03352	0.3
83.06046	0.3
84.04511	1.2
84.08142	1.9
85.02860	0.3
86.09709	4.0
87.09988	0.3
88.03943	0.2
88.60093	0.2
89.03855	0.3
91.05479	2.1
97.02848	0.2
99.06789	0.2
101.07078	0.3
102.05492	0.3
107.04952	1.4
110.07102	0.6
111.04372	0.3
112.05048	0.3
115.05440	0.5
115.95912	0.2
116.04901	0.5
116.07090	0.2
117.03316	0.3
119.04960	1.4
120.08100	1.2
121.02782	0.8
121.06452	0.3
124.07583	0.2
125.05959	0.5
128.82906	0.2
129.10173	0.9
130.04118	0.4
132.10156	0.2
134.05931	0.5
135.04373	0.4
136.07579	1.9
137.05896	0.9
137.07925	0.2
139.08705	0.2
141.03325	1.6
141.10179	0.3
144.04437	1.8
145.02773	0.6
145.06427	0.3
149.05923	0.4
151.03812	0.4
152.06992	0.2
159.09087	0.2
161.05878	0.2
162.03113	0.3
162.05495	6.6
163.03854	0.4
166.08620	0.3
169.13292	0.3
173.05917	0.8
177.05362	0.7
178.05730	0.2
186.03059	0.5
191.07005	4.3
192.05638	0.4
197.12836	0.3
201.05377	51.1
202.05717	0.5
205.06422	0.7
207.08037	0.3
209.05945	0.5
219.08044	0.3
220.05185	8.3
221.05803	0.2
226.04916	0.8
231.04494	0.3
233.05894	0.3
234.06731	0.4
235.07538	22.1
236.07831	0.5
237.05455	1.8
237.09059	1.2
247.07494	0.3
248.04694	5.8
249.05470	1.7
250.06171	0.7
251.06999	0.7
252.07800	1.0
263.07034	26.9
264.07748	2.7
265.02267	0.4
265.04944	5.6
265.08560	2.4
267.06519	0.4
267.10208	0.3
276.04041	0.4
280.07297	11.3
281.07690	0.4
282.08945	2.0
289.08627	0.3
291.06485	6.4
291.09723	0.4
292.07211	0.4
293.07758	0.2
295.06500	0.3
295.09619	1.8
297.11185	1.5
299.09097	1.2
301.07343	0.6
304.48920	0.2
308.06723	3.0
312.06317	0.6
313.07315	0.3
313.10715	4.8
321.11124	0.3
322.10776	0.6
323.09122	100.0
324.09186	2.1
324.12488	0.7
327.08521	1.2
329.06808	0.7
334.11078	0.2
336.12375	0.2
342.10367	0.2
344.09100	1.1
351.11255	0.2
352.11981	1.2
362.10211	6.8
364.11633	0.3
369.09674	0.9
385.52487	0.2
458.15997	19.6
459.16245	0.6
486.15485	43.5
487.15771	0.8
504.16595	3.4
621.22290	2.0
639.23383	1.1
657.36810	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	658.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61669	0.5
53.67419	0.4
55.05507	0.6
57.07074	7.6
58.06595	2.2
65.03933	0.8
68.05013	0.8
70.06586	19.4
71.08635	3.6
72.19380	0.5
80.21078	0.4
81.07056	0.6
85.10205	0.6
88.07627	21.5
100.37605	0.4
102.09180	16.9
109.10097	0.5
113.12515	0.4
120.95710	0.4
121.02846	0.6
131.04858	0.6
139.03856	0.7
147.04379	0.6
149.02335	39.8
149.03296	1.4
160.85858	0.4
175.03899	1.2
177.05519	0.9
193.04953	46.4
212.23819	0.5
219.06511	1.4
225.05469	1.1
230.02222	0.5
237.07559	12.4
256.26349	48.4
269.04572	1.5
297.03903	2.3
300.29172	1.2
313.06961	2.3
335.25928	0.5
341.06546	9.4
341.10385	0.8
359.07599	6.7
385.09149	20.5
386.09537	0.8
403.10095	0.5
408.68063	0.6
429.11786	27.3
430.11844	0.8
640.35071	1.4
658.35797	100.0
659.36292	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	655.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.8
57.03433	2.3
57.07075	38.8
61.02926	6.5
61.91574	1.1
67.05502	7.4
69.03418	1.1
69.07066	7.6
70.39073	4.1
71.08627	30.9
73.02905	3.0
75.04471	3.4
79.05502	2.0
81.07056	15.5
83.08627	9.6
85.02908	10.1
85.10179	15.2
91.03968	7.0
95.08603	23.8
96.20537	1.0
97.02877	5.5
97.10174	5.8
97.70249	1.0
105.19357	1.1
109.10154	10.9
119.08580	1.3
123.11720	5.1
127.03879	2.7
134.48351	1.1
137.13246	2.0
145.04953	3.6
151.14725	1.1
163.06003	6.4
172.38957	1.1
181.84488	1.0
239.23677	30.4
257.24734	3.8
269.72241	1.4
298.27554	1.8
313.27347	100.0
314.27570	1.4
331.28412	12.8
470.25085	1.2
475.32343	1.6
521.88696	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	656.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.96587	0.6
55.01867	0.7
55.05495	2.8
57.03437	7.1
57.07065	2.8
60.04519	0.8
61.02913	2.2
67.05505	4.8
69.03429	5.5
69.07069	5.7
69.67970	4.4
70.06588	5.3
71.01353	1.2
71.04604	1.5
71.04990	30.4
72.08145	2.5
73.02917	3.2
75.04467	3.5
75.66695	0.8
77.09560	0.6
79.05493	9.3
81.03420	2.5
81.07051	100.0
81.24950	0.7
83.04977	14.7
84.04525	1.2
84.08148	2.4
84.09679	0.7
85.02900	83.4
86.09716	3.9
87.04472	1.5
91.03957	2.1
91.05487	1.7
93.07031	2.2
95.01331	7.0
95.04971	1.0
95.07991	1.0
95.08604	20.9
97.02892	11.7
98.21528	1.4
99.00831	1.0
99.04462	2.2
103.03951	2.7
105.07034	1.0
107.04959	1.2
107.08624	0.8
109.02872	3.4
109.10178	2.1
110.07120	1.3
111.04436	13.2
113.02377	1.8
119.04937	1.6
120.08114	2.7
120.66068	0.8
121.06491	1.6
127.03922	12.5
127.04861	1.4
129.05472	23.8
129.06406	1.5
131.03404	2.0
136.07561	5.6
137.06027	2.4
137.13242	27.6
137.14262	1.4
141.01817	26.8
145.02904	1.3
145.04948	24.2
147.04489	0.7
147.06514	16.8
149.05977	0.7
152.07039	1.1
155.85120	0.7
159.02892	8.9
163.03955	0.8
163.06018	16.1
164.07045	1.1
164.09239	1.6
165.07643	1.6
167.07040	0.7
168.10236	1.5
177.03928	2.8
177.05489	2.0
199.00095	0.7
201.05557	1.3
225.84146	0.7
231.08723	1.1
235.07542	0.7
240.05753	0.8
250.05899	0.7
255.08784	1.7
263.07034	1.1
269.06598	1.9
273.09818	3.2
287.07648	3.9
303.07132	1.2
305.08661	4.2
309.11835	3.4
311.13950	1.1
321.08112	8.5
323.09363	4.1
324.09445	0.9
339.09399	1.2
410.20566	0.8
476.17078	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	657.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
53.94045	1.2
55.01868	2.0
67.05508	2.5
69.07066	1.7
70.06599	8.8
72.05566	1.6
72.08177	1.3
77.03909	1.3
79.05496	2.7
81.03369	1.3
81.07026	2.2
84.08131	1.9
85.02899	2.5
85.06539	1.3
86.09678	6.8
91.05481	20.8
93.07046	3.2
95.04956	3.6
95.08601	2.0
95.93322	1.4
101.11161	1.3
103.05462	2.7
105.07020	2.7
107.04951	26.2
107.08578	1.6
109.06460	2.2
109.10167	1.5
110.07188	1.6
111.04436	1.4
116.04955	2.9
116.48919	1.2
117.03325	1.5
117.07018	3.5
119.04943	11.6
119.23962	1.2
121.02870	5.1
121.06486	5.1
122.06023	1.3
123.52880	1.2
127.03884	1.3
129.10255	1.7
133.06494	3.3
134.06007	4.1
135.04446	1.7
135.06815	1.3
136.07579	18.6
137.05972	20.6
141.03403	1.3
141.81860	1.4
143.04886	2.9
144.04457	12.8
145.02852	3.4
145.06470	24.6
146.06070	2.2
147.04366	2.8
148.07683	1.4
149.05951	6.7
150.06718	1.7
151.03911	3.6
152.07053	1.4
155.06030	2.0
158.03621	2.3
161.05954	4.9
162.05505	38.8
164.07045	2.4
165.09100	8.2
173.06007	4.6
175.03918	5.7
175.07562	1.7
176.07077	5.1
177.05492	7.2
177.06906	2.9
181.04933	1.8
181.06418	2.8
183.07991	1.8
186.03108	10.3
188.07050	12.1
189.05467	3.7
194.07278	3.6
195.08086	1.6
201.05450	25.2
204.06264	1.3
205.04662	1.9
205.06502	18.4
206.08127	1.4
207.06502	8.1
207.08167	2.1
210.06883	1.8
211.07439	2.1
213.05518	1.5
213.16145	1.3
214.06381	1.3
215.03343	2.6
217.04726	1.4
219.08038	3.0
220.05183	2.9
221.05925	5.2
222.06784	11.9
222.08810	2.0
223.07480	2.4
224.08287	1.8
229.08655	1.7
232.05357	1.7
233.05980	22.3
234.06717	5.9
235.07527	8.6
236.08275	1.4
237.05455	2.4
237.09138	13.8
238.06227	4.6
239.07071	7.6
239.09224	1.3
247.07487	3.8
248.08275	2.8
249.05432	7.0
250.06233	17.8
251.07028	6.2
253.08560	6.4
254.09279	5.4
255.08946	2.3
261.05508	2.2
262.06204	2.6
263.07037	8.0
264.07773	9.4
265.05026	6.5
265.08615	32.4
266.09232	2.1
267.06558	3.6
269.10361	2.2
270.11224	25.1
271.11911	2.1
275.07010	2.5
277.04959	6.3
277.08566	2.0
278.05765	9.4
279.06442	2.7
279.10303	3.5
280.07260	5.1
281.08130	2.4
282.08853	3.5
282.62695	1.3
283.09738	1.5
291.06467	4.8
292.07251	33.4
293.04486	7.6
293.08078	31.2
294.08514	1.5
295.05988	4.5
295.09637	4.5
297.11270	5.5
299.09140	12.6
302.05548	1.6
304.03476	1.4
305.08066	1.5
307.09622	48.5
308.06763	27.0
308.09903	2.0
309.07098	1.4
310.08258	4.2
313.10773	3.0
317.08011	3.7
319.06039	3.6
320.06360	6.0
322.06976	1.9
323.05487	2.4
323.09134	26.9
325.10699	100.0
326.10959	2.6
328.11603	1.6
331.08594	1.3
335.09012	13.9
336.06146	7.4
337.09683	1.8
343.11682	4.0
349.10687	1.6
350.09650	1.4
351.08633	86.8
352.12003	11.8
355.08090	1.9
362.10406	8.6
364.11911	3.0
379.10471	4.4
380.11264	39.6
392.11438	6.8
434.16187	4.3
441.13251	1.6
458.15881	4.1
460.17508	58.3
461.17972	1.9
469.12628	2.5
481.20062	1.5
486.15494	78.2
487.15720	3.6
514.17657	2.2
515.18060	4.4
621.21918	9.2
639.23230	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	655.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.05503	1.3
57.03409	1.2
65.03918	1.4
67.05488	2.2
69.03393	1.2
69.07050	1.5
70.06570	3.3
70.07489	1.7
70.07908	2.1
72.08137	1.4
73.01919	0.7
76.09830	0.7
79.05480	1.3
79.80177	0.7
81.03404	2.1
81.07056	2.3
83.04910	0.9
84.04491	2.1
84.08128	2.5
85.02902	1.3
86.09681	2.4
91.05477	23.7
93.07036	12.7
95.04951	6.6
95.08608	2.0
97.02823	0.9
100.87479	0.7
103.05471	9.9
105.04514	0.9
105.06975	0.9
107.04947	1.9
107.08589	0.9
109.06515	0.8
109.10129	1.7
111.04408	1.0
117.03366	1.9
117.06986	1.3
119.04936	11.0
119.08537	1.2
121.06496	66.9
121.10212	1.0
123.08037	0.8
125.05996	0.9
130.05017	0.8
131.04904	0.9
131.08525	0.9
133.02884	1.2
133.10104	0.9
135.04416	0.8
135.08028	1.0
135.11653	1.0
136.05170	1.5
136.07564	1.6
137.05977	2.3
141.03325	3.0
145.02835	5.2
145.10188	0.8
147.04376	1.9
149.05927	2.1
151.03993	0.8
151.06297	1.5
151.07527	29.9
152.06992	1.8
155.05997	0.8
160.05203	1.6
163.94724	0.7
164.07072	4.8
165.09189	0.9
170.41219	0.7
173.05951	1.4
175.03897	1.9
177.05476	10.6
177.06921	1.5
179.08588	0.8
186.03082	1.1
186.05521	0.8
187.11278	0.9
189.07031	1.3
191.07025	5.6
194.08083	2.6
201.05353	88.5
202.05731	1.9
205.06477	3.0
207.06427	2.5
207.08075	4.9
219.08029	1.0
220.05168	7.5
221.05887	0.8
222.06734	2.1
224.08241	1.0
226.04913	1.1
231.04367	1.5
231.06505	16.1
232.05232	2.4
233.05908	3.2
234.06755	2.3
235.07521	22.1
237.05440	1.9
237.09081	8.2
239.07008	1.3
244.06139	3.4
247.07559	2.0
248.04652	5.9
249.05449	3.9
250.06136	3.6
251.06876	1.0
252.07776	2.5
256.05960	1.3
260.04660	14.4
261.05414	2.4
263.07019	26.9
264.07758	3.0
265.05002	5.1
265.08582	17.0
266.09192	0.9
267.06650	1.1
267.10080	3.6
267.15903	1.3
278.05646	3.4
279.06339	0.9
280.07306	9.3
281.07816	0.8
282.05725	1.3
282.08841	20.3
288.04187	1.3
291.06488	14.0
292.07220	1.4
293.04895	1.0
293.07959	4.4
295.09647	3.5
297.07733	1.9
297.11212	7.8
299.09091	1.0
306.05215	4.6
308.06744	3.9
312.09842	3.2
313.10669	2.9
321.07541	31.6
323.09106	100.0
324.09460	3.1
325.10690	2.8
327.08759	1.5
327.12219	2.3
338.07822	1.0
351.08588	2.6
353.10211	13.9
355.10059	0.8
361.11465	1.0
364.11761	12.8
394.12836	24.5
411.46860	0.9
460.17526	22.3
461.17798	1.2
488.17007	54.9
489.17349	2.3
490.18643	30.1
491.18735	1.1
518.18079	32.5
623.24274	0.9
655.26599	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	654.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03935	0.7
55.01868	0.4
56.05018	0.3
57.03424	0.6
60.04502	0.4
61.02912	1.0
64.24600	0.2
65.03934	0.6
66.04715	0.5
69.03430	3.4
69.07066	0.4
69.52987	1.6
70.06591	5.1
71.05013	0.3
72.08144	1.2
73.02910	0.5
74.06062	0.5
77.03931	0.3
79.05478	0.9
81.02940	0.3
81.03414	5.7
81.07050	0.5
84.04494	1.0
84.08154	1.1
85.02902	6.3
86.09699	2.8
87.04449	0.4
89.03899	0.3
91.03935	0.3
91.05480	2.9
93.07047	2.7
94.04179	1.9
95.04957	0.8
96.04443	0.2
97.02888	2.1
97.06531	0.3
99.04425	0.2
101.07136	0.3
102.05505	0.3
103.05463	3.1
105.03357	0.2
105.07037	0.5
107.04954	1.1
109.02868	1.0
109.06516	0.9
110.07166	0.9
111.04435	0.2
115.05451	3.6
117.03359	0.6
117.07020	2.1
119.04931	0.8
120.08097	0.9
121.02824	0.4
121.06499	21.4
122.02756	0.5
122.03638	3.9
122.09655	0.8
125.05978	0.4
127.03932	1.2
129.06981	0.2
129.10246	0.6
131.04910	2.6
132.05705	0.5
135.04411	1.0
136.07570	1.2
137.05974	100.0
138.06303	0.9
138.09119	0.6
143.04919	2.7
144.05652	1.3
145.02853	1.3
145.04980	0.5
145.06485	2.3
146.03629	1.3
146.06000	0.5
147.04385	1.1
149.06018	1.1
149.07004	0.2
150.09160	0.5
151.03923	0.9
152.07053	1.2
153.05489	0.5
154.08653	0.9
160.05190	5.6
161.05981	4.0
162.06793	0.4
163.03900	1.3
163.07558	2.0
164.07043	3.2
167.07007	0.6
168.10185	3.4
171.04448	1.0
172.05200	0.7
173.05806	0.4
175.07536	18.8
176.07884	0.3
177.05476	2.8
177.09103	1.4
184.07578	0.3
187.07524	6.9
188.04753	0.2
190.07768	0.3
191.08557	0.5
201.05463	1.2
203.07033	2.1
204.06436	0.2
205.08586	17.5
208.08983	0.3
219.08109	1.4
231.06572	0.5
235.07611	0.4
236.08182	0.3
237.09184	0.4
244.09671	0.2
247.07530	1.3
248.12840	0.3
249.09329	0.4
251.10681	1.1
253.08765	0.3
259.09579	1.9
264.07886	0.6
265.08609	0.9
267.96643	0.2
270.08908	0.4
277.08588	0.5
279.10101	2.2
280.10806	0.3
283.09692	0.4
284.10495	0.5
296.10434	0.9
297.11453	0.4
299.12802	0.7
309.11206	0.6
311.12769	5.6
325.10779	0.3
329.14111	0.4
337.10782	0.4
338.13846	0.9
340.15411	1.9
355.11874	0.7
368.14850	3.2
369.21274	0.4
386.15942	1.5
462.19177	0.6
474.19278	1.2
492.20178	23.8
493.20270	0.8
520.48334	0.2
654.24664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22175	1.0
53.03938	2.7
53.95677	1.0
55.01861	1.3
55.05492	1.2
67.05488	1.5
69.03435	1.3
70.06590	2.8
71.04972	1.8
71.51575	0.9
77.03899	1.1
78.99368	1.2
79.05485	1.7
81.03394	2.2
81.07047	3.2
86.09705	1.8
89.03919	8.7
91.05479	22.0
93.07062	7.7
95.04971	4.9
103.05458	7.5
105.07047	1.3
107.04935	2.3
107.08562	2.1
109.02834	1.3
109.10160	1.5
115.05428	1.2
117.03380	19.6
117.07000	1.4
119.04929	10.7
120.05734	1.3
121.06499	35.9
121.10084	1.1
124.53661	1.1
131.04906	2.2
133.02829	4.4
133.06441	2.0
134.03621	1.6
134.05916	2.1
135.04431	4.8
136.05186	2.7
136.07544	2.6
136.92090	1.0
137.05974	19.5
138.09117	3.1
143.04973	1.4
145.02841	48.0
147.04430	6.5
149.05963	14.0
150.06761	6.6
151.03911	1.2
151.07539	13.2
156.28252	1.1
158.03601	1.5
159.04385	1.5
161.05986	3.9
162.03052	1.3
164.04698	2.6
164.07037	4.0
165.05594	1.2
165.09052	1.6
172.07889	0.9
172.33383	1.0
173.05943	2.9
175.03871	10.5
175.07513	1.1
177.05467	100.0
177.06772	3.9
186.03090	4.7
186.05501	2.8
187.03912	5.1
188.84489	1.2
193.05016	1.1
193.12202	1.0
194.08240	6.7
195.06456	2.2
201.05461	16.2
205.04965	2.4
205.06528	7.6
207.08047	1.4
219.08067	2.4
220.05212	1.5
221.05966	2.6
222.06725	5.1
223.07593	1.2
233.05971	11.2
234.06702	3.4
235.07507	3.1
237.05472	1.4
237.09143	5.7
239.07051	2.9
247.07556	2.7
248.04765	1.5
249.05458	4.7
250.06253	8.0
251.06950	2.0
252.07942	1.3
261.05518	2.0
263.07098	4.8
264.07816	3.1
265.04953	12.1
265.08575	12.6
267.06342	2.5
275.07065	2.0
277.04984	3.0
278.05771	2.6
279.06628	2.8
279.09976	1.4
280.07202	2.6
282.08905	5.7
291.06519	4.4
292.07281	15.8
293.04404	13.7
293.08054	16.1
295.06073	2.5
295.09677	2.9
297.11169	2.2
299.12665	1.3
307.09634	25.6
308.06763	79.5
309.07452	2.8
310.08258	3.1
319.06003	3.9
323.09103	12.5
325.10696	93.4
326.10864	1.4
336.06219	3.8
342.13266	2.0
351.08618	83.5
352.08777	1.9
368.11179	4.1
462.19196	5.9
479.21817	6.3
488.17047	24.8
492.20126	17.1
518.17963	15.1
524.45306	1.1
655.26190	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	654.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.7
53.03940	1.5
55.01868	1.4
55.05503	0.7
55.56511	0.5
56.05026	1.0
57.03426	1.4
59.56370	0.4
60.04519	0.7
61.02917	1.5
67.05490	0.6
69.03431	5.5
69.07062	0.7
69.69817	0.5
70.06590	17.8
71.04993	0.6
71.06921	1.4
71.61610	0.5
72.08150	4.6
72.40343	0.5
73.02907	1.5
74.06047	0.8
75.05640	0.5
79.05489	2.1
81.03420	2.8
81.07055	2.4
83.06081	0.6
84.04517	2.7
84.08153	3.5
85.02905	11.9
86.09707	6.8
87.04469	0.9
89.03909	1.5
91.03917	0.5
91.05477	9.2
93.07045	7.5
94.04168	2.4
95.04964	2.3
97.02898	3.3
98.06063	0.4
98.21593	0.9
99.04438	0.9
101.07140	1.8
102.05580	0.6
103.05470	6.1
105.07031	1.1
107.04980	2.8
108.61858	0.5
109.02892	2.1
109.06526	8.7
110.07181	1.2
112.08736	0.5
113.07126	0.7
115.05458	1.6
115.08728	2.5
116.07086	0.8
117.03375	4.2
117.07011	1.2
119.04940	1.5
119.06075	0.5
119.08621	0.5
120.08112	6.8
121.06504	71.9
122.03648	5.6
122.06835	0.9
125.05951	0.7
127.03922	2.2
127.08663	0.9
129.10254	2.8
130.06523	0.6
131.04941	0.9
135.04443	2.1
136.07567	2.6
137.05975	90.1
138.06335	1.6
138.09137	17.8
141.03340	1.0
143.04968	0.7
143.08177	1.5
144.05722	0.9
145.02840	10.6
145.04866	0.9
145.06473	1.4
146.05960	0.8
147.04443	1.9
149.05963	2.4
149.43355	0.6
151.03947	0.9
152.07050	3.3
154.08594	1.2
155.08167	1.3
155.45752	0.6
160.05196	5.6
161.05981	2.2
163.03934	1.2
163.07640	0.5
164.07080	3.8
166.08649	0.8
167.07095	0.9
169.05977	0.7
172.05251	2.1
173.05940	0.5
175.07535	16.7
175.09047	0.8
177.05469	24.7
178.05812	0.6
186.03162	0.6
186.08815	1.2
187.07524	7.9
190.08701	1.1
191.07030	2.7
201.05406	51.0
202.05759	0.9
207.11328	1.0
212.10262	1.1
213.05510	0.6
219.08034	2.3
222.11302	0.6
229.47014	0.7
230.08098	2.7
230.11449	1.0
231.06517	7.9
234.07355	1.6
235.07530	1.1
236.08243	0.5
246.06889	0.5
247.07530	1.7
248.08119	0.8
249.09230	1.8
251.07048	1.2
251.10762	1.8
253.08563	0.9
261.09399	0.9
262.06284	1.7
263.07080	1.6
264.07819	1.7
265.08560	1.3
266.09430	0.6
268.07330	0.6
277.08609	5.7
278.09186	0.6
279.06848	0.9
279.10159	5.1
281.08176	1.2
283.09644	2.4
283.13995	0.9
292.27042	0.5
294.08801	1.4
295.09833	1.4
296.10373	9.2
305.08170	3.0
307.06009	0.6
309.11023	3.2
311.12811	5.3
322.08563	1.4
337.10672	6.5
338.13858	21.2
350.13840	1.9
355.11734	20.5
356.11713	0.6
394.13504	0.5
430.26035	1.2
457.75064	0.6
462.18619	0.8
465.76309	0.9
474.19104	17.7
474.24957	1.7
475.19470	0.8
492.20154	100.0
493.20538	5.0
636.24286	3.0
654.24939	1.1
654.38666	0.8
655.32001	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	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27662	3.5
67.05466	3.8
71.00610	7.2
91.05474	4.6
93.07013	7.2
94.06539	10.9
95.07331	3.9
96.08144	12.7
106.06544	5.5
108.08096	23.8
110.09681	26.9
120.04448	3.7
120.08089	18.8
122.06011	10.5
124.07558	12.2
134.05995	3.9
136.07571	43.7
138.09137	37.2
144.04451	4.4
146.05994	11.6
148.07556	23.9
150.09062	6.2
152.07074	26.6
160.03941	2.9
162.05423	4.0
164.07045	11.6
166.08635	55.7
172.03867	19.9
176.07101	5.2
190.04971	18.4
197.10725	2.9
198.11571	6.6
204.06554	35.5
210.11508	9.6
211.12248	15.2
212.09396	4.5
221.10638	3.7
223.12233	17.1
224.09343	3.1
225.10233	16.4
226.10933	11.6
227.11729	7.1
235.12265	4.6
236.09485	4.1
237.10257	17.5
238.11020	14.5
239.11708	19.6
240.12563	3.5
241.13188	3.0
249.10281	8.3
250.11035	4.4
251.11746	26.2
252.12555	8.0
253.13281	7.4
255.11223	5.2
256.12006	7.4
257.12909	4.4
262.10928	6.5
263.11777	22.2
264.08835	5.9
264.12448	7.5
265.09671	13.4
265.13300	11.7
266.10522	11.8
267.11267	38.8
269.12823	11.6
271.14368	11.9
273.12238	6.6
277.09720	3.6
277.13315	4.6
278.10342	7.0
279.11282	50.3
280.11929	8.5
281.12823	15.4
283.10693	9.3
284.11584	16.0
285.12344	64.4
287.05518	10.4
287.13919	7.0
289.15256	4.8
291.11325	17.9
292.12039	5.0
293.12830	17.5
295.10712	5.2
296.11624	5.5
297.12320	77.8
298.13092	4.2
299.13809	9.4
309.12222	21.8
310.12930	7.3
311.10193	9.1
311.13950	8.1
312.10959	3.8
313.11777	3.4
319.10699	11.9
321.12372	22.5
323.10260	19.1
325.11777	29.3
326.12201	3.4
327.13358	19.7
337.11765	60.3
338.12289	4.1
339.13278	9.6
346.19064	5.0
357.14368	7.6
358.15323	4.6
359.15976	3.7
369.14365	5.6
371.15891	3.4
390.18082	4.6
392.19507	5.3
400.16028	3.4
402.18112	5.5
404.19568	10.7
416.19913	3.3
418.17282	6.1
420.19235	4.5
422.20627	5.9
430.17670	20.4
431.17987	3.2
432.18994	12.1
442.17383	6.4
446.20801	6.3
448.18597	50.3
449.13712	3.4
449.19421	44.2
449.25150	5.1
450.20248	41.7
460.18518	44.3
461.19357	3.7
462.19894	9.8
474.20132	8.1
476.18210	18.5
477.18912	22.9
478.19717	21.0
490.19702	83.0
491.20340	23.6
492.14832	2.5
492.21201	29.5
493.21771	3.5
522.22235	26.6
523.23077	20.4
524.23077	4.3
567.25677	4.6
595.25299	19.7
613.26495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	3.7
67.59529	1.0
69.95780	6.1
79.05476	3.2
79.74471	1.0
80.05019	1.1
81.05797	1.4
82.06558	2.0
88.72026	0.9
91.05462	3.3
93.05749	1.6
93.07039	6.8
94.06564	13.0
95.04948	1.4
95.07352	6.0
96.08121	16.7
97.06497	2.1
98.20674	1.1
106.06540	6.0
107.07327	2.3
108.04474	2.2
108.08106	26.0
109.08866	1.0
110.09673	30.5
116.04968	2.6
118.06503	2.3
120.04464	7.8
120.08095	26.6
121.08892	1.6
122.06027	15.3
122.09658	1.8
124.07582	13.7
132.08061	2.1
134.05989	4.4
134.09633	2.0
136.07570	49.2
137.08055	0.9
138.05431	1.6
138.09134	44.5
138.10208	2.1
144.04451	6.1
144.08003	1.1
146.06010	12.8
146.09593	2.0
146.98763	0.9
148.07555	26.7
149.17525	1.1
150.09117	7.7
150.97231	0.9
152.07059	28.3
160.03937	1.6
160.07553	3.5
162.05516	5.2
164.07037	9.2
166.08626	68.1
167.06902	1.1
172.03915	31.8
174.05487	2.4
174.09113	2.7
176.07027	4.4
178.04976	1.4
180.10188	1.1
182.08165	2.1
184.09979	1.4
188.07034	1.4
190.04974	24.8
192.06487	1.5
194.08208	1.3
195.09256	1.1
197.10716	3.0
198.09259	1.0
198.11522	6.8
199.12323	2.0
204.06543	44.9
204.08475	2.2
208.09848	1.4
209.10735	3.1
210.09373	1.7
210.11472	8.8
211.08618	2.1
211.12305	16.2
212.09404	2.6
212.12994	4.9
213.10222	2.2
213.13823	2.3
218.08105	3.2
221.10754	2.9
222.11418	1.7
223.08760	1.4
223.12325	13.7
224.09436	3.6
224.12897	2.4
225.10204	17.7
225.13837	3.6
226.10982	11.2
227.11736	9.3
229.09772	1.8
229.13319	3.0
233.10704	2.1
233.61664	1.1
235.08678	4.0
235.12262	5.2
236.09373	4.4
236.13007	1.4
237.10197	20.7
237.13875	3.2
238.10979	20.6
239.11765	18.7
240.12442	2.9
241.09677	1.4
241.13341	2.2
245.12808	1.7
246.07571	3.1
248.09424	3.2
249.10214	15.0
250.10951	11.6
251.08083	1.3
251.08769	1.3
251.11797	28.0
252.08942	2.5
252.12556	6.1
253.09712	3.9
253.13318	12.3
254.10426	1.8
255.11269	6.9
256.11972	7.9
257.12787	4.0
259.14325	1.9
262.10983	8.1
263.08008	3.3
263.11786	31.1
264.08685	8.0
264.12515	9.3
265.09698	15.6
265.13330	17.9
266.10477	11.7
267.11267	37.9
268.11841	2.9
269.12848	12.2
271.10822	3.7
271.14365	15.9
273.12305	8.6
275.11850	2.4
276.08594	2.1
277.09680	5.2
277.13095	2.2
278.10535	7.3
279.11249	58.7
280.12033	9.8
281.09723	2.0
281.12811	18.5
282.10059	2.8
282.13522	2.6
283.10730	10.1
283.14172	1.7
284.11542	19.6
285.12311	61.8
286.12970	1.8
287.13858	4.8
289.15372	5.2
291.11279	23.9
292.12027	7.3
293.09314	2.5
293.12762	23.0
294.10065	1.3
294.13278	1.4
295.10675	6.3
295.14023	1.7
296.11627	11.0
297.12311	87.6
298.12756	7.1
299.13864	11.4
304.08499	1.4
305.09293	1.2
307.10745	3.5
309.12292	41.4
310.13156	8.6
311.10178	11.7
311.13889	6.2
312.10934	4.1
312.14542	1.6
313.11722	4.3
313.15222	1.1
316.14438	3.0
318.19788	1.4
319.10751	19.1
321.12326	25.6
322.13205	1.0
323.10281	21.4
323.13867	2.3
324.10547	1.4
325.11801	38.8
326.12186	2.8
327.13351	17.1
328.14066	2.2
330.15842	2.1
332.17493	1.4
337.11795	100.0
338.12479	5.0
339.13336	7.0
341.11218	2.4
342.15845	1.0
343.13095	4.0
344.13824	1.5
344.17828	1.3
346.15247	1.3
346.19159	3.4
348.20581	2.6
355.12894	2.8
355.16913	1.1
356.13675	1.6
357.14420	11.5
358.15384	2.5
359.15961	3.5
360.16864	2.7
367.13034	2.2
369.14359	6.6
370.15384	3.2
371.15979	3.9
372.16962	2.3
373.13916	2.8
374.18604	2.8
376.20142	4.2
380.19690	1.2
384.17181	2.3
385.14047	4.9
386.14719	2.2
387.15479	1.1
388.16351	2.3
388.20679	1.5
390.17966	4.0
392.19751	7.1
400.16574	4.3
402.18259	6.2
404.19952	8.2
406.17490	2.1
408.18759	1.6
412.16583	3.9
414.18124	2.2
416.19556	3.9
418.17477	3.0
420.18991	3.7
421.19916	2.8
422.20593	5.2
424.16754	1.6
430.17627	19.5
431.18134	2.4
432.19379	12.8
433.19901	2.0
436.18439	2.7
442.17389	3.7
444.18976	3.3
446.21014	10.0
447.20828	1.5
448.18628	57.9
449.19397	52.1
450.13852	2.1
450.20190	41.3
451.20602	1.7
460.18661	43.9
461.19440	4.4
462.20169	11.3
463.20779	2.9
472.18646	3.8
474.20273	11.2
476.18155	19.0
477.18903	18.6
478.19687	16.9
480.21347	3.0
490.19717	94.9
491.20392	19.6
492.14407	1.8
492.21201	25.6
493.22171	4.6
522.22314	31.7
523.23071	13.0
524.23566	2.8
567.25616	3.7
571.25293	2.0
574.77277	1.0
585.27380	1.4
595.25433	20.7
596.26160	1.6
613.26514	98.8
614.27045	6.6
645.29260	5.3
649.85767	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61873	0.8
55.01864	0.8
55.05489	0.9
57.03431	1.0
65.03927	2.0
67.05500	2.1
69.03441	1.3
69.07066	1.1
69.28117	7.5
70.06581	3.8
72.08121	1.4
79.05489	4.4
80.04997	1.1
80.97118	0.8
81.03410	1.6
81.05756	0.8
81.07035	2.8
82.06578	1.8
84.08155	2.0
85.02879	2.2
85.61104	0.9
86.09690	3.8
89.03918	1.1
91.05482	6.2
92.05003	1.0
93.05811	1.2
93.07053	6.8
94.06538	4.9
95.04959	3.3
95.07324	2.9
95.08606	1.8
96.08135	8.8
98.21460	1.6
103.05474	4.7
105.07014	2.2
106.06531	2.3
107.04941	2.3
108.04470	2.8
108.08119	11.7
109.02790	0.9
110.07113	1.1
110.09683	11.7
115.05450	1.1
116.04982	2.5
117.07013	1.9
119.04933	1.0
120.04474	5.8
120.08098	9.7
121.06503	21.3
122.05996	5.7
123.04399	1.7
124.07590	9.3
130.05029	0.9
131.04913	3.3
131.39201	0.9
133.06491	0.9
134.06023	4.9
136.07588	11.6
137.05948	4.0
138.09138	13.4
144.04456	6.3
144.75429	1.0
145.02841	1.1
145.06479	2.8
146.06018	7.7
147.08028	1.1
148.07562	4.9
149.05902	1.4
151.03949	2.3
151.07462	1.2
152.07057	2.9
155.05989	1.2
160.03925	4.5
160.05089	1.0
161.05910	1.9
162.05542	4.3
163.07465	1.6
164.07077	4.8
166.08624	14.9
167.07042	19.5
168.10213	1.7
172.03940	29.4
173.05966	2.3
174.05487	3.6
175.07591	1.4
176.04601	0.9
176.07053	4.1
177.05481	4.0
181.04958	10.2
184.09920	1.9
190.04985	21.4
191.07036	7.1
195.09189	1.3
197.07091	1.2
197.10712	3.0
199.12331	2.7
201.05443	7.5
204.06563	44.5
205.06516	1.1
209.07983	0.9
209.10751	2.4
210.09297	1.9
211.08693	3.7
211.12340	1.1
212.09334	2.5
213.10263	1.0
223.08534	1.1
223.12274	1.3
224.09399	2.0
225.10199	11.4
226.10999	2.5
227.11810	16.5
229.05055	2.4
229.13353	1.3
236.09512	3.0
237.10159	3.8
238.11008	2.4
239.11728	5.9
241.09612	2.1
241.13257	1.6
243.11176	1.0
249.10172	2.5
251.11743	4.6
252.09055	1.0
253.09802	6.7
255.11119	1.8
257.12839	1.4
259.09634	14.5
262.11191	1.1
263.08203	1.0
263.11780	1.6
264.08884	3.7
265.09656	2.2
266.10468	1.4
267.11234	3.4
269.12851	19.3
270.12897	1.1
271.10782	10.6
273.12311	6.4
274.10953	1.1
277.09750	2.8
278.10468	1.0
279.11295	6.0
281.12881	1.9
283.10785	6.4
284.11627	4.5
285.12360	6.5
287.13919	23.9
295.10602	2.6
297.12326	10.2
299.14108	6.3
300.11517	1.3
307.10315	1.0
312.15015	1.7
313.12769	1.4
314.12915	4.3
315.13794	1.2
316.10931	1.6
316.14389	2.1
323.10254	8.6
325.11795	26.0
326.12881	1.5
326.16632	1.8
327.09897	1.2
327.13525	4.7
327.17151	1.2
328.10687	4.5
328.14819	4.7
329.15253	1.6
330.15778	2.5
331.16806	1.8
337.11371	1.0
339.14105	1.1
341.11566	2.0
342.12354	9.2
342.15976	1.7
343.13071	10.1
343.16904	1.5
344.13745	1.6
344.17743	1.1
352.14655	1.4
354.12857	3.9
355.13171	1.9
356.14008	8.4
357.14478	12.0
358.15518	4.6
364.12030	1.4
365.11386	1.5
366.16321	1.2
369.10382	1.2
369.15805	1.0
370.11469	2.0
370.15775	6.0
371.16306	1.6
372.16953	1.5
376.16626	1.4
378.18118	1.4
380.13367	1.0
382.11816	6.2
383.12473	4.5
384.13248	4.0
384.17572	1.3
385.13864	4.6
386.14804	3.3
386.18661	3.2
387.14749	1.4
390.17941	3.2
394.15399	1.4
397.15326	1.5
398.14920	23.3
399.15759	29.3
400.16306	3.1
402.17957	1.9
404.15787	5.4
412.16577	3.3
414.18240	5.9
416.10291	1.0
416.16040	20.6
417.15826	6.0
422.17096	1.8
428.16214	3.6
430.17786	2.9
440.16132	7.2
446.17117	22.0
448.18478	2.1
458.17105	48.2
460.17941	3.5
462.18964	1.5
478.19452	2.4
488.17444	2.9
490.19711	11.0
539.26508	1.2
565.24139	3.6
567.25903	3.4
569.23944	8.9
583.25378	4.3
593.23883	10.2
611.25000	100.0
612.24927	3.6
643.24982	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	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31152	0.8
53.03935	1.3
56.05030	0.7
57.19685	0.6
65.03933	1.1
67.05499	3.2
67.08642	0.9
68.05053	0.8
69.07064	1.1
69.97102	3.9
70.06580	1.6
72.14768	0.7
73.79501	0.7
77.03906	0.7
79.05490	4.0
80.05005	2.1
81.03406	1.6
81.05766	0.8
81.07050	1.6
82.06581	3.7
84.04462	0.8
86.09683	1.4
89.03909	1.1
90.39114	0.8
91.05466	5.1
93.05800	1.9
93.07041	8.1
94.06564	15.6
95.04959	2.7
95.07361	7.8
95.08578	1.4
96.08124	19.8
97.06546	1.2
103.05472	1.3
106.06539	4.5
107.07359	1.8
108.04459	2.3
108.08113	25.9
109.08957	1.4
110.06075	1.0
110.09677	34.2
116.04996	3.0
118.06548	1.2
120.04459	6.0
120.08097	24.6
121.06522	1.8
121.08862	2.0
122.06023	16.9
122.06902	1.0
122.09672	2.6
124.07585	17.3
132.04436	0.9
132.08107	2.1
134.06004	4.6
134.09650	1.1
136.07571	53.8
138.05518	1.6
138.09129	47.0
144.04428	5.1
144.08109	0.9
146.06012	13.9
146.09677	2.3
148.07565	27.6
149.08319	0.9
150.05490	2.2
150.09134	9.1
151.06288	0.7
152.07068	29.4
152.08304	1.5
158.05919	0.9
160.03938	2.3
160.07582	2.8
162.05519	5.9
162.09122	1.1
164.07048	11.4
165.07855	2.2
166.08636	73.5
167.07080	2.5
170.09727	1.0
172.03926	35.6
174.05504	2.4
174.09201	4.2
176.07048	4.0
178.05038	1.2
178.08566	1.4
181.04958	1.4
182.08134	2.2
182.09583	0.9
184.09940	1.8
190.03236	1.2
190.04984	24.5
192.06636	1.4
192.10191	0.8
194.09650	1.0
195.09035	1.1
196.09871	1.2
197.10715	5.0
198.09830	1.0
198.11510	7.7
199.08577	1.3
199.12326	2.8
204.06551	46.3
206.08258	1.1
208.09755	1.3
209.10651	4.7
210.09305	1.9
210.11458	10.2
211.08701	1.7
211.12297	16.2
212.09503	2.6
212.13022	5.0
213.10219	3.1
213.13924	2.7
216.24452	1.0
218.08105	3.6
220.09961	1.7
221.10831	2.0
222.11522	2.0
223.08675	2.6
223.12248	14.6
224.07524	0.7
224.09303	4.0
224.13097	2.7
225.10216	18.1
225.13661	4.7
226.10954	12.3
227.11743	9.0
229.09711	1.4
229.13332	4.4
233.10796	1.4
234.11517	0.9
235.08647	4.2
235.12277	4.3
236.09409	4.9
236.13084	1.8
237.10216	25.0
237.13795	3.9
238.10966	18.4
239.11775	23.1
240.12541	2.2
241.09740	3.0
241.13382	3.3
243.11140	1.4
245.12862	1.4
246.07651	3.2
247.12334	1.1
248.09380	4.9
249.07645	1.3
249.10202	18.0
250.10989	13.3
251.08131	3.0
251.11781	37.6
252.08665	3.6
252.12595	9.2
253.09680	6.3
253.13356	10.9
254.10519	2.2
254.14175	0.8
255.11319	8.7
256.12054	11.0
257.12805	4.4
259.14438	2.0
261.10175	0.8
262.11078	8.4
263.08026	2.1
263.11780	36.5
264.08774	8.5
264.12497	8.3
265.09763	15.6
265.13394	18.4
266.10471	13.5
266.13452	1.2
267.11276	40.8
268.12030	3.5
269.12833	14.4
270.13742	0.8
271.10870	4.5
271.14459	13.7
273.12213	6.2
275.11859	2.9
276.08841	1.9
276.12064	1.1
277.09769	6.8
277.13422	2.6
278.10541	7.5
278.13257	1.2
279.11270	65.1
280.12018	10.8
281.09470	1.4
281.12845	18.0
282.10004	2.3
282.13629	3.6
283.10785	11.2
283.14203	1.7
284.11536	22.2
285.12326	71.0
286.12985	1.5
287.13806	6.0
288.15210	1.3
289.15414	5.4
291.11255	25.8
291.14474	1.3
292.12009	8.7
293.09271	4.6
293.12756	24.3
294.10001	1.5
294.13522	1.5
295.10818	7.1
295.14441	2.8
296.11594	12.5
297.12320	98.0
298.13058	5.0
299.13916	13.1
302.16660	0.8
303.11160	1.0
304.08539	1.7
304.18234	0.8
305.09271	1.0
307.10867	4.1
309.12338	40.9
310.13089	9.4
311.10287	11.3
311.13922	6.8
312.11023	4.5
313.11938	5.0
313.15356	1.5
314.12842	1.4
315.13593	2.6
316.14548	3.3
318.16122	1.5
319.10782	20.4
321.12311	28.6
323.10306	22.5
323.13824	1.9
324.10968	1.5
325.11807	41.9
326.12585	2.5
327.13367	18.4
328.14374	1.6
329.15326	0.9
330.16043	2.3
332.17661	2.0
337.11798	94.8
338.12393	5.1
339.13379	8.8
341.11365	3.5
342.12268	0.9
342.16107	1.7
343.12906	6.7
344.13910	2.2
344.17734	1.0
346.18906	4.2
348.20859	1.2
351.13354	1.1
354.16397	1.0
355.13028	2.4
356.13876	1.8
357.14435	14.2
358.15439	2.6
359.16205	5.2
360.17114	2.8
362.18585	2.1
367.13028	1.8
369.14462	5.8
370.15451	2.7
371.16193	2.8
372.17102	1.8
373.14053	2.6
374.14569	0.9
374.18671	3.5
376.16315	2.4
376.20300	3.1
383.16571	1.0
384.17126	2.1
385.13632	4.8
386.14850	2.5
386.19196	1.3
388.16437	2.5
388.20709	0.9
390.17917	4.1
392.19724	6.3
400.16406	4.3
401.17111	1.5
402.18115	7.1
404.19995	9.0
406.17477	1.1
408.19049	1.2
412.16525	3.4
414.18198	2.4
416.20181	3.6
418.17694	3.2
420.19238	4.0
421.19867	3.6
422.20731	5.6
428.20187	1.3
430.17532	19.2
431.18118	1.2
432.19235	11.9
433.19968	1.6
434.20807	1.4
436.18857	4.3
442.17719	5.1
444.19159	3.9
446.21075	9.7
448.18613	59.8
449.19434	47.8
450.20245	44.5
458.16852	1.4
460.18668	44.9
461.19327	3.7
462.20227	11.1
463.21054	3.2
472.18579	5.6
474.20230	10.9
476.18143	20.2
477.18924	17.5
478.19730	19.8
480.21307	3.9
490.19702	95.9
491.20523	17.8
492.21252	28.5
493.21869	4.5
508.20773	1.9
522.22339	31.4
523.23206	13.1
524.23779	1.8
567.26001	3.4
571.25488	2.5
595.25439	21.3
613.26532	100.0
614.26459	2.2
645.29230	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	643.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50039	0.5
60.83704	0.5
65.03920	1.1
67.05475	1.0
70.06565	1.4
70.22617	2.1
76.01453	0.5
77.03912	0.7
79.05466	1.3
80.05015	0.5
81.07039	0.7
82.06574	0.7
84.08098	0.9
86.09700	1.0
89.03901	1.0
91.05457	1.6
92.04990	1.1
93.05766	1.2
93.07047	2.5
94.06550	3.5
95.04929	0.7
95.07313	2.1
96.08130	5.5
97.06522	0.6
103.05475	0.6
105.07009	0.5
106.06533	1.0
108.04458	1.9
108.08115	7.8
110.09675	7.0
116.04988	3.5
118.06480	0.8
119.08598	0.7
120.04449	3.1
120.08102	6.6
121.06445	0.7
122.06031	3.8
124.07594	2.8
134.06003	3.2
136.07568	7.4
138.05490	0.6
138.09122	9.3
144.04442	9.1
146.06003	5.3
148.07565	2.7
152.07083	1.3
160.03938	2.4
162.05499	5.7
164.07036	1.9
166.08626	11.7
167.07095	1.3
172.03926	48.9
173.04233	1.0
174.05504	1.2
174.09082	0.8
176.07042	3.5
181.04877	0.7
182.09689	0.8
183.09180	1.1
184.09883	1.1
186.09119	0.7
190.04970	10.4
196.07564	0.5
197.07010	0.7
197.10675	2.1
199.08636	0.7
199.12314	2.2
204.06549	100.0
205.06844	1.4
209.10736	1.5
210.09305	1.2
210.11429	0.9
211.08681	3.5
211.12408	0.8
212.09460	1.9
213.10294	0.7
223.08553	0.8
223.12291	1.0
224.09268	1.1
225.10188	7.7
226.10953	1.7
227.11766	12.7
235.08463	0.6
236.09448	1.5
237.10184	2.9
238.11000	1.4
239.11819	3.1
241.09795	1.0
241.13345	1.5
245.12807	0.7
249.10240	1.5
251.08171	1.3
251.11765	2.6
252.08870	1.1
253.09737	5.0
254.10454	0.6
255.11288	1.4
257.12823	1.1
263.08167	1.3
264.08914	2.2
265.09729	1.8
266.10291	0.9
267.11230	2.0
269.12820	9.0
271.10751	7.9
273.12335	4.6
274.13086	0.6
277.09729	1.9
278.10416	0.6
279.11182	2.8
280.87888	0.6
281.09222	0.8
281.12668	0.6
282.10071	0.5
283.10727	4.6
284.11435	4.9
285.12326	4.8
286.13306	1.4
287.05377	1.1
287.13882	19.8
289.12677	0.5
293.09158	0.8
294.09879	0.8
295.10800	1.1
297.12228	5.7
299.14081	4.0
300.11606	0.8
302.13074	0.7
307.10858	0.6
311.14151	0.6
312.14902	1.6
313.12759	1.3
314.12967	2.1
315.13641	1.7
316.10965	1.0
316.14523	1.9
318.15921	0.7
323.10196	4.1
325.11838	7.5
325.15588	0.9
326.12759	1.2
326.16626	1.1
327.13556	4.1
328.10760	2.5
328.14410	3.1
329.11557	0.8
329.15039	1.8
330.15994	1.7
331.16824	1.4
339.13507	2.3
340.11063	0.8
340.14676	0.8
341.11813	1.2
342.12448	5.2
342.15878	1.0
343.12982	5.0
344.13928	1.3
354.12332	1.2
354.16159	0.8
355.13446	1.7
356.13852	4.7
357.14426	24.0
358.15558	3.5
367.13022	0.6
368.17856	0.6
369.11075	0.7
370.11899	1.1
370.15564	3.8
371.16190	1.0
372.17218	0.8
378.18085	1.3
380.13889	1.0
382.11658	3.7
383.12762	2.1
384.13187	4.5
384.17383	0.6
385.14383	2.3
386.14862	1.8
386.18857	2.3
387.15488	0.9
390.18106	2.6
397.14386	0.7
398.14993	16.9
399.15735	20.3
400.16406	2.7
402.18076	0.8
404.16110	4.2
412.16449	1.1
414.18335	3.6
416.16016	15.7
417.16248	1.1
422.17020	1.1
428.16122	1.4
430.17490	2.9
440.15805	3.2
446.17062	13.9
447.17657	1.1
448.18777	1.1
458.17102	33.5
459.17361	1.4
460.19000	1.2
476.18295	0.6
478.20059	2.0
490.19638	10.1
523.23419	0.5
551.22913	0.8
552.23621	0.7
565.24487	1.5
567.25348	2.6
569.23846	7.1
575.22528	0.9
583.25201	2.7
593.24023	7.1
611.24945	76.4
612.25531	3.2
643.26880	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	643.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.0
67.05488	0.4
71.53939	0.8
79.05493	1.6
80.05031	0.8
81.05792	0.6
82.06582	1.0
89.03918	1.1
91.05479	1.3
92.05019	1.4
93.05776	0.5
93.07040	2.0
94.06568	6.2
95.04967	0.7
95.07349	2.5
96.08131	6.4
103.05479	0.4
106.06563	1.7
107.07320	0.4
108.04467	2.8
108.08111	9.7
108.08782	0.8
110.06040	0.5
110.09675	9.2
116.04955	3.0
118.06532	0.7
120.04472	4.6
120.08098	7.7
120.08941	0.5
121.06545	0.5
122.06026	5.2
124.07579	7.6
132.04501	0.6
134.05997	3.0
136.07562	9.8
136.08566	0.7
138.09125	11.5
142.46849	0.4
144.04451	5.9
146.05998	6.0
148.07564	3.8
150.05533	0.7
152.07101	1.9
154.06432	0.4
158.09744	0.4
160.03918	3.1
160.07526	0.4
162.05482	5.1
164.07019	2.8
166.08626	12.7
167.07207	0.8
172.03928	26.6
172.07541	0.8
173.08420	0.4
174.05489	2.3
176.07071	3.7
178.05026	0.6
182.08350	0.8
182.09753	1.1
183.09201	0.9
185.10591	0.6
188.07161	0.6
190.04991	19.8
195.09177	0.6
196.09962	1.1
197.07034	0.5
197.10706	2.7
198.09286	0.5
198.11563	0.7
199.08740	1.6
199.12256	2.2
204.06549	40.6
205.06979	0.6
207.09181	0.6
208.09776	0.4
209.10754	2.1
210.09171	1.8
210.11333	0.9
211.08604	3.8
211.12242	0.9
212.07559	0.4
212.09293	2.3
213.10231	1.7
213.14038	0.4
215.11955	0.4
221.10748	0.6
223.08655	1.5
223.12376	0.5
224.09503	1.2
225.10216	10.3
226.11064	1.3
227.11786	16.6
229.13344	0.5
233.10774	0.6
235.08658	0.9
235.12250	0.6
236.09412	2.4
237.10178	3.6
238.10997	2.4
239.08342	0.6
239.11804	5.0
241.09795	1.5
241.13422	1.5
245.12910	0.8
249.10281	2.0
250.10934	0.6
251.08064	1.0
251.11807	2.8
252.08946	1.3
253.09698	5.9
253.12521	0.7
253.13351	0.7
255.11366	2.1
257.12912	1.2
261.10355	0.6
262.11142	0.5
263.08218	1.7
263.11893	0.6
264.09006	3.0
265.09589	2.2
265.76419	0.4
266.10544	1.0
267.08572	0.6
267.11218	2.7
268.08463	0.6
269.09909	0.8
269.12833	17.4
271.10742	10.9
273.12311	7.1
277.09695	2.9
279.11307	4.1
281.09445	0.8
281.12900	1.2
282.10080	0.7
283.10776	5.2
284.11536	5.3
285.12384	5.8
286.13129	1.5
287.13885	19.1
289.09521	0.6
289.13364	0.5
293.09341	1.1
294.10080	0.6
295.10812	0.8
296.11505	0.6
297.12354	8.4
298.10638	0.8
299.11234	0.6
299.13998	5.8
300.11383	1.2
300.14856	0.6
301.12204	0.6
302.12753	0.8
303.10825	0.5
305.09155	0.5
307.10834	1.2
311.10385	0.9
311.14508	0.5
312.14941	1.3
313.12930	2.7
314.13080	3.0
314.16339	0.9
315.13797	1.7
316.10959	1.1
316.14545	1.9
321.12384	1.0
323.10229	7.5
324.11063	0.9
324.14688	0.8
325.11804	27.2
326.12735	1.6
326.16641	1.2
327.13498	3.7
327.17477	1.0
328.10815	4.2
328.14545	3.1
329.11502	0.9
329.15253	1.8
330.12469	0.9
330.16055	2.8
331.13245	0.5
331.16843	1.7
338.13080	0.8
339.14078	2.0
340.14548	1.2
341.11569	2.2
342.12408	8.3
342.16214	1.3
343.12994	8.7
343.16675	0.6
344.13959	1.5
344.17667	0.7
352.14536	1.4
354.12570	1.2
354.16049	1.2
355.13004	2.0
355.17279	0.8
356.13974	7.0
357.14487	10.0
358.15524	5.0
365.11472	1.0
366.16037	0.7
368.10046	0.8
369.11111	1.0
369.15247	0.6
370.11627	0.7
370.15543	5.4
371.16187	1.5
372.12979	0.5
372.17065	1.5
374.18719	0.5
376.16595	0.7
378.18094	2.0
380.13977	1.4
381.15143	0.5
382.11783	5.3
383.12643	2.3
384.13333	5.0
385.14111	2.4
386.14273	2.5
386.19177	2.9
387.15994	0.6
388.16516	1.4
390.18024	2.6
394.15543	1.3
396.13147	0.5
397.14807	1.1
398.14987	20.2
399.15778	28.6
400.16315	2.1
401.13736	0.6
402.18146	1.1
404.15964	6.3
410.15094	0.5
412.16748	2.1
414.18289	4.5
416.16025	20.1
417.16464	0.9
422.17502	2.5
428.15955	3.0
430.17514	3.4
440.16025	5.9
446.17136	18.6
447.17273	0.7
448.18777	1.6
458.17099	46.2
459.17764	1.3
460.18710	1.3
476.18365	0.6
477.19046	0.5
478.19794	1.7
488.86154	0.6
490.19617	9.1
491.19891	0.5
523.23798	0.6
535.85315	0.5
539.26868	0.9
541.24280	0.5
551.23065	0.9
552.23480	0.8
565.24597	2.7
567.25867	3.6
569.23969	9.5
575.22827	0.9
583.25238	3.1
593.24066	10.7
611.24969	100.0
612.25409	2.2
643.27814	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	643.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01873	0.8
65.03931	1.1
67.05495	1.4
69.29705	6.0
70.06590	1.4
79.05476	2.5
80.04994	0.7
80.63000	0.6
81.05799	1.2
81.07070	1.5
82.06577	0.9
86.09721	0.9
89.03905	0.7
91.05487	3.0
92.05006	0.9
93.05763	1.5
93.07042	4.2
94.06567	7.4
95.04992	1.2
95.07347	2.3
96.08121	7.9
97.06511	1.6
103.05461	3.0
105.07056	1.1
106.06554	2.2
107.04945	1.2
107.07343	0.7
108.04488	3.2
108.08112	10.9
110.09675	10.4
111.67838	0.7
115.05453	1.4
116.04953	3.8
117.07031	1.0
118.06548	1.5
120.04456	5.6
120.08099	9.2
121.06502	2.2
122.06031	4.9
123.04445	1.3
124.07581	8.4
131.04915	1.3
133.06531	1.1
134.06020	4.0
136.07581	11.5
137.06023	1.3
138.09135	15.6
144.04477	6.9
144.08064	0.8
145.06525	2.2
146.05986	7.0
148.07555	3.6
149.05992	1.6
152.07114	2.6
160.03967	3.5
162.05540	5.8
163.07515	1.0
164.07091	2.8
165.05466	0.8
166.08656	15.1
167.07031	17.6
170.09633	0.8
172.03928	26.5
172.07561	1.6
173.06024	2.8
174.05539	1.7
176.07063	4.3
181.04936	9.3
182.08325	0.8
182.09760	1.5
183.09204	1.5
184.09940	1.5
186.05473	1.0
186.09200	0.9
187.08786	0.7
190.04982	22.0
191.06998	5.1
192.06535	1.0
194.82828	0.7
195.09113	1.0
196.09956	1.5
197.06990	0.8
197.10779	2.5
198.11481	0.7
199.08684	1.0
199.12309	2.7
200.10760	0.8
204.06560	42.1
205.08565	1.2
207.09314	0.7
209.10800	1.8
210.07639	0.9
210.09464	1.2
210.11475	1.0
211.08678	4.9
211.12350	1.5
212.07518	0.8
212.09268	3.1
213.10303	1.9
217.09808	0.8
223.08511	0.8
223.12245	1.3
224.09467	2.1
225.10199	11.9
226.10948	1.7
227.08318	0.9
227.11772	18.4
229.13399	0.9
233.08089	1.0
233.10800	0.7
235.09476	1.1
236.09468	3.2
237.10260	4.3
238.10968	2.4
239.05902	0.7
239.08281	0.7
239.11798	5.0
241.09801	1.5
241.13345	1.2
243.11304	0.6
248.09387	1.1
249.10287	4.4
250.11046	1.4
251.08165	1.4
251.11795	4.4
252.08885	1.1
253.09686	6.2
255.11418	1.8
257.12897	1.5
261.10300	1.3
263.08426	1.3
264.08984	4.8
265.09824	3.3
266.10315	1.0
267.11273	4.3
269.09912	1.4
269.12857	21.7
271.10724	9.5
273.12390	6.9
277.09717	3.0
278.10571	1.1
279.08578	0.9
279.11249	4.6
281.12723	0.9
283.10733	8.2
284.11578	6.7
285.12384	6.6
286.13266	1.2
287.13907	19.9
293.09402	1.0
293.12869	1.3
294.10019	1.5
295.10782	2.1
297.12296	11.2
298.10883	0.7
299.11243	0.7
299.14026	5.1
300.11450	2.2
301.12714	1.2
302.12997	1.4
305.09277	1.1
307.10876	1.9
309.12170	0.7
310.13907	0.9
311.10526	1.1
311.14362	0.8
312.11804	1.0
312.15073	2.3
313.12448	2.2
314.12967	3.0
315.13852	1.7
316.11005	1.6
316.14523	3.1
317.15225	1.3
318.16171	0.9
323.10272	7.9
323.13858	1.0
325.11801	27.7
326.12723	2.4
326.16644	1.9
326.87592	0.7
327.13528	5.4
327.17224	1.5
328.10831	4.2
328.14554	4.5
329.11661	0.8
329.15298	2.4
330.12436	1.6
330.16043	2.3
331.16995	1.9
335.10089	1.1
336.11264	0.7
337.11990	1.3
339.13596	7.0
340.10794	0.9
340.14554	1.5
341.11816	1.9
342.12473	10.1
342.16000	1.4
343.12970	8.6
343.16800	1.2
344.13821	1.8
344.17657	0.8
352.14404	1.3
353.12509	1.0
354.12653	1.8
354.16409	1.6
355.12930	3.7
356.13840	7.3
356.17322	0.8
357.14505	8.8
358.15494	5.5
365.11258	1.9
366.12134	1.1
367.12964	4.6
370.11676	1.5
370.15564	5.6
371.16232	1.2
372.17065	1.8
373.14267	0.8
376.16339	0.9
378.18152	2.5
380.14099	0.8
382.11771	5.0
383.12543	2.3
384.13174	5.3
385.14136	3.0
386.14786	2.2
386.19119	3.2
387.14807	1.8
388.16931	0.8
390.18051	4.1
394.15588	1.8
397.14633	1.2
398.14999	20.4
398.20129	1.2
399.15784	29.6
400.16415	2.3
401.13620	1.1
402.18146	1.6
404.15991	5.1
412.16684	1.8
414.18332	4.8
416.16046	19.7
417.15543	8.1
418.17026	0.9
422.17053	3.1
428.16132	3.0
430.17511	3.6
440.16037	7.7
446.17111	21.0
446.23062	1.2
447.17905	1.0
448.18762	1.5
458.17108	51.6
459.17554	2.1
460.18759	1.9
478.19550	1.4
488.18195	1.5
490.19711	8.9
492.21509	0.8
520.20819	12.5
521.21130	1.4
522.23120	1.2
551.22589	1.1
552.23492	0.9
565.24261	3.3
567.26074	4.8
569.23804	8.7
575.22205	0.9
583.25476	2.7
593.23889	11.0
594.22992	0.7
611.24969	100.0
612.25500	4.2
643.27045	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	642.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
54.90072	1.7
55.05510	13.7
56.05041	2.9
57.07074	18.6
60.04229	2.4
60.04523	44.6
65.44087	1.7
67.05502	21.0
68.81393	2.0
69.07061	20.3
70.06550	2.7
71.08623	11.5
71.10384	2.9
71.10709	3.4
79.05486	11.1
80.05003	7.0
81.03408	5.9
81.05793	2.4
81.07050	30.2
82.06580	6.7
83.04977	3.4
83.08611	13.0
84.08120	3.2
85.10178	7.2
87.71542	1.8
91.01347	1.7
91.05479	9.6
93.07042	12.5
94.06562	9.9
95.04960	5.6
95.08598	25.0
96.08131	4.4
97.06574	2.0
97.10187	9.4
98.06023	3.1
98.09679	3.0
102.05528	14.0
105.07047	8.9
107.08607	4.5
108.08106	8.7
109.06555	2.2
109.10149	9.6
111.11722	2.2
114.06448	2.0
119.08582	10.2
121.10105	4.3
122.09687	4.6
123.11658	3.1
133.10088	6.4
147.11671	3.3
153.81665	1.9
200.42575	1.8
238.25302	5.3
242.24770	12.4
245.22656	6.8
262.25275	62.1
263.23630	6.6
266.24741	23.8
280.26355	37.4
280.29352	3.0
322.27444	3.2
334.85443	2.0
340.28476	4.1
362.79318	1.8
432.99347	1.9
486.46646	5.3
504.47656	15.4
505.26553	2.2
522.48761	23.2
527.85980	2.2
546.48669	4.6
564.49799	100.0
565.50269	6.6
582.50842	16.7
606.50842	23.8
624.51935	11.8
660.11072	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	643.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03946	2.7
55.01868	3.0
55.03603	0.5
55.05499	0.8
56.91711	0.7
63.02385	0.7
65.03922	1.6
67.05502	3.8
67.41199	0.5
69.03421	0.9
69.07046	1.8
69.96806	1.2
69.97225	2.0
70.06573	2.4
71.04977	1.9
72.08134	0.8
77.03933	2.1
78.04689	0.8
79.05490	3.6
81.03414	1.5
81.07050	3.3
82.99747	0.5
84.04480	1.1
84.08160	0.7
85.02898	1.2
85.06567	0.6
86.09700	1.9
89.03898	4.2
91.05476	23.9
93.07042	19.7
94.04207	0.6
95.04964	7.4
95.08611	1.3
96.08093	1.1
97.06517	6.9
101.07195	0.6
103.05460	15.2
105.03393	2.6
105.04528	2.5
105.07008	1.4
107.04949	4.3
107.08591	2.3
108.04556	0.6
108.08125	1.4
109.10149	0.9
115.05446	2.5
117.03378	11.0
117.06997	1.8
118.04214	0.5
118.06532	0.7
119.04937	10.6
120.05705	1.4
120.08095	2.1
121.06495	84.0
122.03643	1.7
122.06024	0.8
122.06854	1.3
123.04456	1.4
124.05230	0.7
125.09651	0.6
127.03925	0.9
129.10275	1.1
131.04918	2.1
131.08562	1.4
133.02843	70.4
133.06500	1.9
133.10081	1.3
134.03589	1.0
134.06007	5.7
135.04390	4.6
135.08113	0.6
135.11711	0.7
136.07555	5.6
137.05963	12.6
138.09148	1.6
143.04878	1.0
144.04460	0.9
145.02832	29.0
145.06503	2.8
145.10106	0.8
146.03224	0.6
146.05989	1.7
147.04410	7.8
147.11705	0.7
148.05159	0.9
148.07524	0.7
149.04849	0.6
149.05965	16.1
150.05690	0.8
150.06758	7.3
151.03870	0.7
151.07530	2.0
152.04636	0.6
152.07074	0.9
157.03937	1.6
158.03632	2.0
159.11632	0.8
160.05283	0.7
161.05940	7.4
162.05499	1.3
163.03891	0.9
163.07562	1.6
164.07053	11.2
165.05478	8.6
166.08678	0.8
167.07034	11.8
172.03944	2.5
173.05974	6.3
175.03903	18.4
175.07487	1.3
176.07098	0.8
177.05463	65.2
177.12788	0.8
178.05782	1.4
181.04944	6.6
186.03128	1.8
186.05515	1.3
190.04944	1.6
191.07007	5.1
191.08450	0.7
192.06538	7.8
195.13808	2.8
201.05452	43.7
202.05829	0.8
204.06572	3.6
205.06480	2.7
207.06430	0.6
209.08081	1.4
213.10300	0.7
213.14949	1.0
219.08029	0.8
221.05949	1.4
221.07951	0.8
222.06813	1.3
225.10289	1.1
227.11743	0.7
233.05971	4.8
233.08008	1.1
236.07964	0.6
237.09143	1.2
247.07573	1.1
248.11978	0.5
249.05511	2.3
250.06209	1.4
251.11798	0.8
253.09619	0.7
261.05450	1.7
264.07950	1.7
265.08524	3.3
269.12796	1.7
269.17456	6.8
271.10889	0.6
271.18607	0.6
271.35251	0.5
275.07065	0.7
277.04849	0.8
278.05756	1.0
279.11237	0.8
283.10062	0.5
283.14404	0.8
285.12494	1.1
287.05563	0.9
287.13974	1.5
288.37726	0.6
291.06543	0.8
292.07300	3.1
293.04852	0.7
293.07840	2.7
297.11908	1.4
299.13055	0.8
307.09808	2.4
308.06882	1.9
310.08148	0.9
312.12268	15.1
313.12436	0.7
314.13803	3.3
315.12344	0.9
323.09521	0.7
325.10696	39.0
326.11047	1.0
327.13437	0.6
338.13770	3.7
342.12766	1.2
343.12912	0.9
351.08530	1.7
355.12997	1.0
357.14316	1.9
367.12759	1.3
373.13440	0.8
382.12015	0.8
385.12836	1.2
398.15140	1.1
399.15643	1.6
414.18439	0.7
416.16049	1.3
417.15433	2.3
445.16254	0.6
446.17365	0.9
458.17120	3.3
460.18542	1.8
462.19086	100.0
463.19485	4.4
463.29916	1.2
481.31519	3.9
488.17786	6.6
489.18524	0.6
490.19998	0.7
520.20776	6.6
566.42371	0.7
583.25323	0.7
593.23816	0.8
611.25018	8.0
625.25549	1.1
643.26489	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	641.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08229	2.0
65.20557	2.0
67.05498	4.3
70.06582	3.4
70.64349	4.5
70.64705	3.4
77.94024	2.2
79.05482	4.5
81.07046	5.4
91.05468	5.0
93.07033	11.3
94.06561	9.0
95.07356	5.8
96.08137	12.7
105.06999	2.4
108.08125	11.0
110.09682	17.3
120.08114	16.6
122.06038	8.2
123.02518	2.1
123.06725	2.3
136.07579	8.6
138.09135	25.5
148.07590	5.0
148.82394	2.6
166.08632	23.8
209.10788	2.1
211.08679	4.2
220.10092	2.4
221.10764	3.0
225.10255	2.4
235.08681	3.9
237.10326	3.0
247.08691	4.6
249.10294	23.2
250.11107	3.7
251.11839	2.1
257.60422	2.4
263.11749	4.0
275.08191	5.1
277.09644	13.9
293.09402	3.0
309.12418	7.7
312.11502	3.1
322.13464	3.7
323.14444	3.1
325.12479	2.4
326.12964	6.0
327.13797	2.6
328.11133	2.8
336.15247	3.2
338.12888	3.6
338.16513	3.1
339.14157	3.2
340.10782	5.3
340.14578	8.2
341.11691	4.2
341.15469	3.1
342.12393	3.6
343.13217	2.2
350.12848	2.4
352.10751	4.1
352.14642	3.4
353.12131	6.0
354.12399	12.6
354.16147	2.9
355.13214	9.4
356.14038	8.5
356.17740	3.0
357.14566	2.4
364.14389	11.6
365.15189	4.6
366.12274	3.0
366.16226	4.8
367.13593	8.6
368.10092	4.8
368.14023	21.0
369.14926	13.1
370.15604	5.8
376.55270	2.1
380.14127	6.3
382.11700	8.1
382.15881	13.2
383.12357	2.7
383.16608	4.3
384.17206	13.6
385.18506	2.1
386.15289	3.4
392.14066	6.2
393.14117	2.6
395.12881	5.7
396.13513	14.9
397.14282	4.9
398.14450	2.4
398.18674	13.1
408.13675	3.0
410.14890	12.9
412.16663	11.8
414.14493	4.2
420.13718	5.7
426.14059	4.9
428.16263	9.4
429.17117	2.4
438.14532	43.7
442.17599	2.9
444.19528	16.2
456.15497	94.0
458.17017	14.6
470.17578	4.8
476.18134	46.1
477.18671	2.7
477.82327	2.2
488.18130	38.2
591.22522	18.1
595.25232	4.2
609.23285	32.2
610.23810	3.9
613.26483	4.8
623.25037	35.0
641.25995	100.0
642.26141	4.9
665.87787	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	642.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01868	2.4
55.05518	9.1
56.05044	2.3
57.03412	2.5
57.07067	4.8
62.90563	1.6
65.03941	1.8
67.05499	16.0
69.03422	7.8
69.07069	29.7
70.02255	1.5
70.06581	15.5
70.90190	1.7
71.04991	4.6
71.08659	2.7
71.48788	2.5
72.08144	7.3
79.05491	11.6
81.03398	3.4
81.07051	44.1
83.04964	5.6
83.08611	7.4
84.04494	2.5
84.08135	6.2
85.02898	6.1
86.09706	14.3
87.00843	2.2
91.05464	20.8
93.07038	89.9
95.04963	16.2
95.08606	32.4
97.02882	4.0
97.06505	6.6
97.10154	3.7
99.04464	4.3
102.05545	2.0
103.29124	1.6
105.07025	10.0
107.04935	4.0
107.08583	17.8
109.02853	3.4
109.06493	14.3
109.10143	32.1
110.07168	3.9
111.08081	6.7
111.11704	4.3
112.26285	1.8
119.04938	5.2
119.08566	10.1
120.08085	8.1
121.04605	1.7
121.06503	6.2
121.10137	52.0
123.08080	4.4
123.11699	17.3
125.09608	11.6
127.03907	6.2
127.07523	3.0
127.29478	1.7
129.10226	3.6
131.08556	2.8
133.10101	6.8
135.08066	4.2
135.11668	8.3
136.07545	4.4
137.05948	17.9
137.09595	4.0
137.13251	8.4
139.11168	13.1
145.02872	5.4
145.04901	2.3
145.06497	2.1
145.10143	3.0
147.11681	5.1
149.05951	2.3
149.09605	6.2
149.13252	4.7
151.07492	11.6
151.11172	5.7
152.07059	4.6
153.12711	5.0
155.10718	1.8
157.10150	3.0
159.11729	6.4
160.05203	1.7
161.05931	3.0
161.09576	4.1
161.13269	5.3
163.11162	2.6
163.14784	2.1
167.07016	5.4
167.10655	19.1
167.14304	2.1
168.10251	3.5
173.05920	1.7
173.13213	2.1
175.11092	2.0
175.14813	4.7
177.05481	6.5
177.16357	2.6
179.10646	2.2
179.14372	1.8
181.04953	7.6
181.08463	2.0
181.12199	1.9
185.11732	4.6
187.14861	2.5
189.16348	3.3
191.07089	2.7
193.15857	3.7
197.11766	2.0
201.05481	13.6
202.05815	2.4
207.17429	6.5
213.16403	3.0
229.19420	2.7
231.06541	2.5
234.08734	2.2
235.20502	3.2
249.09114	2.0
259.24161	2.5
269.22653	6.7
275.23706	2.0
277.08627	3.5
287.23630	16.5
293.08044	2.0
293.24780	6.5
294.08823	3.4
305.07947	2.1
305.24725	47.8
309.11270	9.8
323.25797	100.0
341.26859	18.7
355.11691	5.5
409.78064	1.9
414.13467	2.5
492.19397	2.3
504.20038	7.8
522.21063	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	641.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01842	0.6
55.05493	0.4
56.05033	0.5
60.04521	0.4
65.03917	0.5
67.05493	0.5
69.03397	0.4
69.67324	0.6
69.67744	2.5
70.06268	0.5
70.06583	6.7
72.08150	2.0
73.28071	0.3
79.05474	0.8
81.03403	0.9
81.07040	0.7
84.04485	1.3
84.08141	2.0
86.09701	3.9
89.03889	0.3
91.05477	8.8
93.07037	10.4
94.06560	0.4
94.07356	0.6
95.04965	3.6
95.08590	0.5
98.21535	0.4
101.07107	0.5
102.04731	0.4
102.05492	0.5
103.05459	7.1
105.04493	0.8
107.04930	1.1
109.10118	0.5
110.07143	1.3
117.03344	1.2
117.06978	0.5
119.04932	1.6
120.08119	2.7
121.06495	67.2
122.06801	0.8
123.04414	0.4
125.05987	0.8
127.03907	0.5
129.10208	1.3
130.04132	0.6
131.01791	0.4
135.04376	0.8
136.07542	1.8
137.05972	1.2
138.09106	0.5
141.03336	3.3
143.11823	0.4
144.04410	1.1
145.02809	1.6
145.06433	0.7
149.05939	1.0
150.76208	0.4
151.03879	0.5
152.07051	0.4
155.08305	0.5
158.03551	0.5
161.05905	0.6
162.03151	0.5
162.05475	3.9
163.04054	0.4
164.07072	3.8
166.08598	0.5
167.07024	0.5
173.05968	1.5
177.05486	5.5
177.07004	0.4
181.04950	1.0
183.14935	0.4
186.03137	0.7
187.14510	0.5
188.06914	0.4
189.07019	0.7
191.07019	6.6
191.08594	0.7
192.05695	0.6
194.07243	0.5
201.05379	98.0
202.05862	1.1
204.06516	0.7
205.06532	2.5
207.06300	0.5
207.08072	0.9
209.05974	0.5
211.07458	0.5
219.08040	1.3
220.05193	6.5
221.05910	1.0
222.06758	1.6
224.08163	0.5
226.04962	0.6
233.05959	1.8
234.06659	1.8
235.07516	19.9
236.08054	0.4
237.05479	2.0
237.09085	8.4
239.06979	1.1
244.05980	2.7
247.07526	1.9
248.04666	5.5
248.08412	0.5
249.05453	2.6
250.06248	2.3
251.06877	0.5
252.07742	1.6
263.07016	27.9
264.07733	2.2
265.04962	5.3
265.08591	16.6
266.09109	1.1
267.06430	1.4
276.04010	0.7
279.10110	0.6
280.07260	10.8
282.08844	23.2
291.06482	13.8
295.06213	0.4
295.09494	2.1
297.11179	9.1
299.09076	1.2
308.06735	3.2
312.06226	0.8
313.10703	4.5
317.06567	1.3
322.10974	0.5
323.09106	100.0
324.09421	2.6
325.10703	0.8
327.08615	1.1
337.10165	0.4
351.08472	0.8
356.28018	0.5
362.10114	1.9
364.11749	17.8
364.16318	1.0
365.12119	0.7
368.11118	0.5
369.09940	0.4
458.15939	16.4
460.17538	12.4
486.15488	7.4
488.17014	81.4
489.17368	2.7
504.16614	3.1
623.23529	2.7
641.22137	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	641.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05508	1.0
56.05028	0.8
60.04510	1.1
65.03925	0.9
69.03410	0.9
69.07061	0.7
70.06219	0.5
70.06592	10.0
70.17660	2.0
71.63800	0.4
72.08150	6.4
77.03962	0.5
79.05474	0.7
81.03407	0.7
81.07027	1.1
82.92941	0.4
84.04530	2.7
84.08137	5.9
85.02910	0.8
86.09707	10.5
87.05583	0.6
87.10013	0.8
88.03968	0.8
89.03873	0.6
91.05474	9.9
93.07042	10.6
95.04977	4.0
95.08636	0.5
96.08086	0.4
102.05553	2.0
102.06113	0.4
103.04817	0.5
103.05462	7.5
105.04492	0.7
107.04950	3.2
109.06523	0.6
109.10127	0.8
110.07145	1.7
114.39649	0.5
115.08638	0.4
116.05059	0.6
117.03366	0.9
117.07056	0.5
117.36304	0.4
119.04947	1.4
120.08109	6.6
121.06502	57.9
123.04398	0.7
125.05987	0.8
127.03870	0.5
129.10255	2.8
130.04147	0.5
130.08644	0.5
131.04881	0.5
133.02849	2.0
134.06018	0.5
135.04358	0.9
136.07545	2.0
137.05936	2.0
141.03331	3.1
144.04434	1.5
145.02869	2.0
145.06458	2.0
146.05988	1.4
147.04405	1.0
147.11314	0.6
149.05988	1.7
151.03935	0.8
152.07043	0.6
161.06049	0.7
162.05486	3.8
163.03885	0.9
164.07069	5.1
167.06985	1.2
172.03870	0.8
173.05989	1.4
173.09181	1.7
175.03876	1.1
177.05530	4.0
181.04964	0.9
181.06448	0.5
185.16510	1.1
186.03046	0.8
187.10814	0.6
188.07021	0.6
191.07005	6.2
194.07227	1.1
197.12823	0.6
198.09740	0.4
199.18048	0.5
201.05385	80.6
202.05829	1.3
203.14120	0.5
204.06636	2.2
205.06458	2.0
205.08153	0.4
207.06450	0.6
219.08011	1.5
220.05150	5.3
221.05899	1.5
222.06744	2.3
226.05009	1.0
229.15526	0.8
233.06021	2.5
234.06760	2.1
235.07529	19.6
237.05429	1.9
237.09088	8.3
239.07068	0.9
243.11209	1.0
244.05992	1.7
247.07542	2.0
248.04700	7.3
248.07262	0.6
248.08427	0.5
249.05458	4.0
250.06303	3.4
251.07022	1.2
252.07771	1.2
259.09589	1.4
263.07034	26.0
264.07736	2.6
265.04965	4.8
265.08591	21.3
265.11514	0.7
266.05695	0.5
267.06543	1.6
270.11084	0.6
276.04074	1.0
279.09967	0.6
280.07288	10.9
281.07782	0.6
282.08853	26.3
283.09497	0.5
285.12308	1.2
291.06506	16.7
291.09799	0.9
292.07184	1.1
293.04294	0.8
293.07938	1.2
295.09607	1.9
297.11215	13.6
299.09183	0.7
300.15594	0.6
301.07303	1.1
307.09729	1.5
308.06732	3.8
313.10568	5.7
323.09125	100.0
324.09348	1.3
324.12396	1.3
325.10684	4.2
327.08713	1.2
329.06842	0.8
344.09238	1.2
351.08527	2.2
352.11896	1.5
362.10184	4.8
364.11768	10.9
369.09665	3.5
369.13910	0.6
415.14078	0.7
428.02411	0.5
458.16031	4.9
460.17548	71.8
461.17755	1.6
486.15463	44.0
487.15707	0.6
488.17047	17.4
504.16241	0.7
609.23407	1.0
623.23651	2.6
641.24866	0.9
666.85333	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	641.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18221	0.4
53.03928	0.6
55.01838	1.4
55.05475	0.6
56.05020	0.4
65.03921	0.6
67.05456	0.6
69.03408	0.7
69.07045	1.1
70.06598	2.9
71.04975	0.8
71.58166	0.9
72.08112	1.3
79.05443	1.4
81.03397	0.7
81.07009	2.1
83.08552	0.5
84.04482	0.6
84.08123	1.0
85.02860	1.2
85.06502	1.0
86.09691	2.6
91.05478	6.4
93.07039	4.2
95.04948	2.2
95.08570	1.3
103.05447	2.7
105.03309	0.5
105.06985	1.4
107.04952	4.3
107.08571	1.0
109.06451	0.8
109.10085	0.7
115.05399	1.7
117.03329	0.7
117.07014	2.7
119.04938	4.1
120.08088	1.2
121.02869	2.6
121.06493	26.2
122.03590	0.8
123.04372	1.1
123.11675	0.5
127.03868	0.8
127.34777	0.4
129.10176	0.6
131.04892	1.0
133.06445	0.6
134.03586	1.1
135.04376	1.3
136.07562	3.4
137.05972	10.5
137.09561	0.4
138.09125	8.4
141.03290	0.5
143.04903	1.6
144.04407	1.9
145.02795	1.5
145.06470	15.2
146.05966	1.6
147.04410	2.2
147.70050	0.4
149.05965	3.1
150.06750	0.9
151.03857	1.8
152.07034	1.5
155.06015	1.1
158.03593	1.9
160.05174	0.9
161.05923	1.4
162.05515	5.2
164.07040	2.9
165.06999	0.9
165.09097	4.8
167.06972	1.6
172.03909	0.9
173.05998	5.0
175.03860	2.2
175.07524	1.0
177.05400	4.2
177.06952	2.3
178.07680	0.9
179.08517	0.8
181.04932	1.2
186.03114	8.6
188.04755	0.6
188.05374	0.7
188.07031	5.5
189.05432	0.7
189.06972	1.0
190.17511	0.5
191.08559	0.9
192.05708	0.6
193.06439	0.9
194.07224	2.7
196.05008	0.5
199.07509	0.7
201.05438	18.5
203.06990	1.8
203.08652	1.0
204.06450	1.6
205.06477	13.7
205.15182	0.5
206.07375	1.0
207.06467	1.5
207.08133	1.5
211.07507	1.3
215.03326	1.0
217.06570	0.7
218.07225	0.7
219.04277	0.7
219.08093	2.4
220.05208	0.8
221.05994	3.9
221.09489	1.0
222.06741	8.6
223.07465	0.7
224.04671	0.6
227.06958	1.4
229.08405	0.5
233.05948	15.1
234.06670	4.7
235.07599	2.7
236.04628	0.6
236.08194	1.0
237.05411	1.2
237.09062	10.5
238.06210	1.0
239.06969	2.6
243.11394	0.8
247.07527	4.0
248.04651	0.9
248.08270	0.8
249.05458	4.6
249.08957	0.5
250.06203	13.9
251.06969	3.3
252.07741	0.6
253.08617	1.7
254.05824	0.5
254.09320	1.5
260.04623	0.7
261.05518	3.0
262.06192	1.4
263.07074	3.8
264.07785	9.7
265.04987	4.3
265.08566	21.0
266.09216	1.7
267.06546	3.5
270.11218	3.7
272.12744	1.5
273.11197	0.7
275.07047	1.5
276.04108	1.5
276.07739	0.9
277.04919	3.9
277.07919	0.8
278.05734	8.4
279.06787	1.1
279.10138	2.6
280.07294	3.1
281.07959	0.9
282.08774	2.6
283.09732	0.9
285.11935	1.4
291.06589	2.5
291.09320	0.5
292.07272	24.2
293.04465	5.5
293.08044	23.4
293.28418	0.8
294.08740	1.5
295.05951	2.1
295.09448	1.2
297.11121	4.2
299.09140	3.9
304.03638	1.1
305.04630	0.6
305.08057	0.7
307.09619	38.6
308.06772	19.7
308.10284	1.3
309.07318	0.9
310.08243	3.5
311.08978	0.7
319.06033	3.0
322.10764	0.8
323.09125	15.4
323.12857	1.3
324.12482	1.0
325.10678	100.0
326.10950	1.1
335.09003	2.4
336.06235	6.7
343.12271	0.7
349.10571	1.1
351.08606	73.8
352.12033	1.0
355.41217	0.5
362.10007	0.6
366.12912	0.6
380.11169	4.1
392.11014	0.9
410.77289	0.6
458.16806	0.7
459.18939	0.8
460.17557	16.4
462.19067	10.9
478.18811	0.5
486.15427	10.7
488.16888	4.3
517.19501	1.1
587.97607	0.5
609.24005	0.6
623.23950	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	641.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.6
55.38974	2.1
57.07048	3.6
65.03959	2.1
67.05505	12.9
69.03403	6.6
69.07059	5.5
70.06577	9.7
70.16499	10.0
71.04979	3.0
72.08138	5.4
79.05513	2.5
81.03382	4.7
81.07037	7.4
84.04501	2.9
84.08121	7.6
85.02892	6.2
85.06548	23.3
86.09691	11.5
91.05473	14.5
93.07034	9.5
95.04951	2.9
95.08595	8.4
97.10073	2.1
98.21402	3.1
103.05439	7.0
105.06990	3.3
107.04953	10.6
107.08576	3.3
109.02867	2.9
109.10158	6.6
110.09555	2.8
115.05463	3.9
117.03403	4.1
117.07014	5.6
119.04916	6.2
119.08554	4.9
120.08138	6.0
121.06490	36.0
127.03886	2.1
129.10249	2.4
131.05009	2.5
136.07602	4.9
137.05965	18.9
137.09630	11.1
138.09091	7.7
144.79091	2.2
145.02869	15.7
145.06511	11.5
147.04407	2.8
149.05949	6.7
152.07010	3.8
161.05934	4.0
162.05484	7.5
164.07085	3.8
165.09103	100.0
167.03442	3.4
167.07002	16.5
168.40585	2.2
173.05965	9.4
175.07509	2.8
177.05490	34.5
181.04945	40.6
186.03073	6.9
188.07050	4.7
191.06992	4.7
201.05441	20.7
204.06616	3.7
205.06512	11.5
205.12231	3.3
207.06516	5.3
209.32678	2.4
221.05971	3.7
222.06667	7.9
228.65736	2.2
233.06000	15.8
235.07527	4.9
235.09624	3.0
237.05426	2.8
237.09050	8.1
239.07018	2.8
249.05527	5.1
250.06168	10.9
251.06783	3.2
253.08510	2.7
261.05426	3.0
263.07037	4.8
264.07779	8.3
265.04892	4.4
265.08612	23.7
270.11298	4.1
277.05054	4.8
277.08331	3.0
278.05820	4.3
280.07211	3.2
282.08792	6.1
285.12244	4.1
291.06503	2.9
292.07327	20.4
293.04785	4.9
293.07965	21.9
297.11148	3.6
299.09070	6.2
307.09644	31.7
308.06763	18.1
310.08185	4.0
323.09207	14.8
325.10657	90.8
328.15442	3.4
335.09009	3.5
336.06137	3.8
351.08588	59.2
380.11215	6.3
385.12787	3.7
443.35172	5.5
460.17584	16.2
462.19113	18.6
470.16760	6.3
486.15543	17.6
488.17245	8.6
528.48169	2.7
623.23761	7.8
641.25226	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	641.1709
Annotation	Isorhamnetin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03941	0.6
55.01856	0.5
55.05494	0.2
56.05023	0.3
57.03431	1.1
58.85225	0.2
60.04519	0.3
61.02934	1.2
68.99795	0.2
69.03093	0.2
69.03431	3.3
70.06591	3.3
70.80100	0.5
71.04975	0.5
72.08149	1.0
73.02903	0.5
74.06071	0.3
81.03414	1.7
84.04488	0.7
84.08138	1.4
85.02904	13.1
86.09698	1.6
87.04469	0.3
88.03993	0.2
89.03921	0.3
91.03951	1.0
91.05473	0.3
92.02626	0.7
93.03394	0.6
93.90990	0.2
95.08611	0.2
97.02892	4.2
99.04443	0.9
102.05550	0.3
105.07037	0.2
107.04951	0.2
109.02882	1.1
110.07162	0.7
112.08641	0.2
115.90140	0.2
117.06975	0.2
120.08092	0.6
121.02846	0.8
121.06528	0.2
127.03907	3.0
129.10240	0.6
136.07570	0.5
137.02280	0.2
137.05980	0.5
139.03874	0.9
145.02834	0.7
145.04959	3.6
147.04378	0.4
151.03883	0.8
152.07053	0.3
153.01826	5.8
163.03932	0.5
163.06032	0.4
165.01854	0.5
177.05470	1.6
181.80785	0.2
194.64900	0.2
201.05513	0.5
217.04976	0.5
218.05753	0.4
228.04129	1.1
229.04958	2.8
231.02888	0.4
245.04523	1.1
246.05235	1.7
257.04431	2.4
260.03058	0.2
261.07440	0.3
268.39661	0.2
273.03946	1.5
274.04727	3.9
284.03329	0.5
285.03931	4.2
286.04276	0.2
288.06085	0.3
301.03366	0.2
302.04205	11.7
303.04639	0.4
316.05667	0.2
317.06549	100.0
318.06958	1.8
359.07535	0.7
389.63779	0.2
425.17307	0.2
443.09317	0.2
452.23560	0.2
479.11752	0.8
479.48004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01849	1.3
55.05481	0.7
56.03953	0.5
56.05029	1.2
65.03931	1.2
66.34294	0.6
67.76761	0.5
69.03409	0.9
69.07059	1.3
70.06586	17.9
70.65420	1.8
71.04969	0.7
71.06895	0.8
72.08156	1.4
74.06071	0.7
79.05481	1.9
81.03377	0.9
81.07043	1.5
84.04498	1.6
84.08143	6.4
85.02895	1.1
86.09694	11.0
87.10014	0.9
89.96716	0.6
91.05476	10.5
93.07027	2.2
95.04957	1.5
95.08621	0.7
97.02907	0.6
98.20885	0.6
103.05460	1.9
105.07018	2.2
106.06542	0.7
107.04949	14.1
107.08588	0.6
107.23280	0.7
108.05277	0.9
110.07156	1.6
111.13583	0.6
112.08736	1.0
115.05449	1.1
115.08695	0.6
116.04981	1.3
117.03356	0.6
117.07019	2.3
118.06503	0.8
119.04933	4.8
119.08560	0.9
120.08112	4.2
121.02854	2.6
121.06506	2.7
122.03608	1.1
122.05972	0.7
123.04417	0.8
127.03877	1.0
127.08662	0.7
129.10254	2.5
129.56194	0.5
130.04993	0.6
130.38710	0.5
131.04970	0.9
132.10217	2.7
133.06458	1.9
133.10094	0.7
134.05981	1.8
135.04398	2.0
135.11687	0.9
136.07562	10.5
137.05980	9.9
141.03293	0.5
143.04845	0.9
144.04442	4.3
144.05435	0.8
145.02838	1.8
145.05405	1.1
145.06479	12.3
145.07539	0.5
146.05957	1.5
147.04379	2.3
149.05952	3.3
149.13243	1.1
150.06717	0.9
151.03902	2.0
152.07063	4.2
155.06027	1.1
158.03613	1.3
161.06020	1.6
162.05490	12.8
163.03931	1.2
164.07080	2.2
165.06927	1.4
173.05988	2.6
175.03857	1.6
176.07066	2.5
177.05437	2.4
177.06850	1.4
179.08519	1.4
180.06630	0.7
183.08031	1.5
186.03111	5.4
188.07071	4.2
189.05501	0.8
189.07002	0.8
190.07858	0.9
193.06528	1.0
194.07256	2.2
201.05449	11.1
201.07213	0.9
203.07031	1.4
204.06573	0.6
205.06479	10.2
207.06360	3.5
207.08072	1.4
209.05946	0.6
210.09148	1.3
211.04051	0.6
211.07549	1.8
215.03348	1.5
217.06578	0.7
218.07332	0.8
219.07986	2.8
220.05179	2.2
221.05876	2.7
222.06789	6.1
223.07544	1.0
224.08253	1.3
227.07007	1.4
229.08592	1.0
233.03807	1.0
233.05974	11.5
234.06682	3.3
235.07532	4.9
236.04659	1.3
236.08241	1.2
237.05371	2.0
237.09160	6.0
238.06226	3.1
238.08548	1.1
239.07056	3.9
246.06880	0.6
247.07599	3.0
247.09779	0.6
248.04678	2.3
248.08308	0.7
249.05446	5.0
249.09059	0.8
250.06204	9.3
251.06874	2.7
251.10881	0.7
252.07774	2.2
252.10208	0.6
253.08609	4.4
254.05746	0.8
254.09195	2.6
255.09007	1.4
259.07379	0.7
261.05411	2.0
262.06274	1.7
263.06964	4.7
264.07809	5.0
265.04977	7.2
265.08597	12.0
266.09201	1.4
267.06540	1.1
267.10165	0.7
268.07199	0.7
270.11240	14.5
270.14175	0.7
271.11984	0.7
272.17249	0.7
274.06244	0.7
275.06973	1.5
276.04105	1.8
277.04913	3.4
277.08194	1.2
278.05737	4.8
279.06546	1.6
279.10175	2.2
280.07187	5.0
281.08081	0.8
282.08749	1.6
287.06863	0.7
291.06445	3.5
292.07251	20.4
293.04456	8.8
293.08075	15.4
293.11365	0.9
294.08072	0.7
295.06192	1.2
295.09604	3.2
297.11252	2.2
299.09100	4.5
302.05707	1.1
303.06409	0.7
304.03568	2.7
305.04349	1.2
305.07892	0.9
307.06769	0.6
307.09625	24.2
308.06732	27.9
308.22141	3.9
309.07047	1.1
310.08264	1.7
317.07748	1.1
319.05762	2.9
320.06717	2.4
321.04095	0.7
322.10773	0.9
323.09100	22.0
325.10672	47.5
326.10764	1.6
326.23154	3.2
328.11526	0.9
334.10818	0.9
335.09070	10.8
336.06070	7.8
337.09488	2.8
343.11578	1.1
347.07886	1.1
349.10776	0.9
350.10300	0.7
351.08597	100.0
352.12222	6.9
362.10254	7.4
364.11780	2.6
379.10364	2.9
380.11267	22.6
381.11325	1.3
392.11255	4.2
434.15955	0.8
441.13101	2.1
458.16019	1.1
460.17471	14.5
469.12683	2.0
486.15445	37.9
487.15710	1.2
515.18451	1.0
610.42053	0.7
621.22040	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	641.1712
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03925	0.3
54.32202	0.1
54.41502	0.1
55.01846	0.2
55.05478	0.2
56.03566	0.1
56.05016	0.2
57.03396	0.4
60.04491	0.2
61.02922	0.7
68.99767	0.2
69.03426	1.5
69.07024	0.2
69.27955	0.9
69.28370	0.3
70.06590	1.7
70.43320	0.1
71.04962	0.3
72.08160	0.8
73.02877	0.3
81.03424	1.0
81.07011	0.2
84.04459	0.4
84.08147	0.9
85.02907	6.0
86.09699	1.0
87.04448	0.1
91.03880	0.2
91.05435	0.2
92.02618	0.6
93.03371	0.6
93.06979	0.2
95.04908	0.2
97.02890	1.8
99.04403	0.4
99.33155	0.1
101.07072	0.2
107.04875	0.2
109.02914	0.6
110.07121	0.4
112.08633	0.1
120.08044	0.6
121.02843	0.8
121.06470	0.2
126.03152	0.2
127.03918	1.2
129.10182	0.4
135.04375	0.2
136.07541	0.3
137.02307	0.3
137.05930	0.4
139.03871	1.0
145.02815	0.3
145.04950	1.3
147.07761	0.2
151.03897	1.1
152.07059	0.4
153.00587	0.2
153.01820	4.3
161.05963	0.2
163.03874	0.5
164.04283	0.1
165.01779	0.5
167.03456	1.0
167.06940	0.2
168.10144	0.2
177.05473	0.9
181.04922	0.9
183.02916	0.2
183.14958	0.1
197.77240	0.1
200.04727	0.2
201.05435	0.6
201.12482	0.1
216.59868	0.1
217.04944	0.3
218.05728	0.3
228.04240	0.8
229.04961	2.6
231.02766	0.2
233.08159	0.2
243.06548	0.2
245.04457	0.5
246.05249	1.1
257.04425	1.9
260.03180	0.3
261.07645	0.2
264.15961	0.2
271.06024	0.3
273.03909	1.3
274.04715	3.7
284.03238	0.4
285.03903	3.3
286.04401	0.2
288.06198	0.2
302.04202	11.8
303.04855	0.3
303.08636	0.5
317.06540	100.0
318.06943	1.8
359.07562	0.3
415.13461	0.2
444.13895	0.2
479.11841	11.1
480.12061	0.2
641.22040	6.1
641.32758	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	639.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.4
53.03915	0.7
55.01838	0.8
55.05478	0.5
56.05004	0.5
60.20349	0.3
65.03894	1.1
69.03411	0.6
69.07048	0.8
69.61098	1.6
69.61524	0.9
70.06590	8.9
71.06905	0.5
72.08124	1.2
74.06061	0.3
79.05483	2.2
81.03371	0.5
81.07050	0.7
84.04458	1.1
84.08139	3.3
85.02867	0.4
86.09699	4.4
86.37003	0.4
87.27685	0.3
89.03888	1.5
91.05477	9.9
93.07001	1.1
94.04179	0.5
95.04975	3.8
101.07108	0.4
102.04627	0.4
103.05457	3.5
105.03336	0.8
105.04470	0.4
105.06976	1.2
107.04948	10.3
109.02833	0.5
110.07124	0.7
111.04323	0.5
115.05432	1.6
116.04943	0.9
117.03371	1.6
117.07002	2.3
118.04121	1.2
118.06500	0.4
119.04141	0.5
119.04937	9.1
120.08084	3.3
121.02043	0.4
121.02862	6.7
121.06488	2.3
121.08399	0.4
121.10055	0.3
122.03596	1.3
122.05996	0.8
123.04421	3.6
129.03354	0.3
129.10214	1.7
130.04147	0.8
130.06502	0.5
131.04924	2.5
132.02042	0.8
132.05711	0.7
133.02864	2.8
133.06464	3.2
134.06001	3.3
135.04395	2.2
135.06789	4.9
136.05225	0.5
136.07576	8.2
137.05972	17.5
141.10243	0.3
143.04871	0.5
144.02032	0.6
144.04459	3.8
144.05539	0.7
145.02855	3.2
145.06471	12.5
146.03636	0.9
146.06007	2.1
147.04402	6.2
148.05109	1.2
149.05963	3.0
150.06726	1.0
151.03896	2.8
152.07079	0.4
153.07050	0.5
155.06061	0.8
157.03906	0.9
158.03603	1.1
159.04405	2.6
159.06752	0.4
160.05226	0.7
160.07521	0.7
161.02350	0.8
161.04674	0.9
161.05957	6.4
162.05499	9.8
163.03917	2.8
164.04698	3.8
164.07013	0.4
165.05540	0.5
165.07002	1.0
167.07079	0.8
167.08466	0.8
168.04117	1.3
168.05576	0.4
173.02377	0.4
173.05951	2.2
174.03020	0.5
174.05482	1.1
174.06795	0.8
175.03911	9.1
175.06219	0.8
176.04774	2.2
176.07033	1.2
177.05495	8.5
177.06981	1.1
178.07672	0.8
179.08510	1.1
181.04938	1.7
181.06480	1.5
183.07997	0.7
186.03116	2.0
186.05386	0.4
187.03891	5.3
188.07071	3.0
189.05525	0.6
189.07057	0.9
191.03464	0.7
191.08543	0.6
192.05659	0.4
193.04900	1.8
193.06512	0.8
194.05693	0.4
194.07132	1.6
195.08005	1.6
201.05441	5.9
203.06952	0.4
204.06531	1.2
205.04858	1.5
205.06511	3.8
206.07256	1.1
207.06456	0.8
207.08099	5.7
208.08701	0.5
209.05864	0.8
210.06750	0.9
211.07587	1.2
215.03386	0.5
217.06625	0.7
218.07425	0.6
219.08000	1.1
220.05229	1.8
221.06100	3.0
222.06793	2.4
223.07513	3.4
224.08327	1.4
225.09108	0.4
226.06297	0.4
227.07025	0.5
229.08664	0.5
233.05972	4.9
233.08125	0.6
234.06697	2.3
235.07539	6.0
236.08286	0.6
237.05508	3.0
237.09091	3.3
238.06212	1.4
238.08438	0.7
239.07016	2.8
239.10710	0.5
242.07967	0.6
246.06804	0.5
247.07550	1.2
248.04662	1.5
249.05457	3.7
250.06274	3.8
250.08603	0.5
251.07005	2.3
252.07825	1.8
253.08627	3.9
254.05746	0.4
254.09265	2.3
255.09882	0.5
259.07489	0.5
260.30286	0.3
261.05453	1.4
262.06143	1.0
263.06995	6.5
264.07721	2.3
265.04947	10.8
265.08554	6.1
266.05658	0.9
266.08685	0.5
267.06631	2.4
267.10052	2.4
268.07123	0.5
269.10614	0.5
270.11249	5.3
275.07047	0.7
276.04129	0.8
277.04947	1.5
277.08209	0.5
278.05453	1.7
279.06479	2.7
279.09381	0.6
280.07291	4.3
281.08087	7.0
282.08551	1.0
282.11267	0.8
284.06723	0.5
289.08804	0.4
290.05704	0.8
291.06512	3.5
292.07239	5.0
292.09933	0.5
293.04425	11.7
293.08063	5.8
294.04880	0.5
294.08206	0.5
294.11270	0.7
295.05975	1.6
295.09579	2.6
296.09192	4.1
296.12805	2.4
297.07681	0.6
297.11227	0.9
299.09109	5.6
299.12399	0.5
303.06445	0.5
304.03546	0.5
305.08026	0.6
306.08853	1.0
307.05978	1.2
307.09601	7.6
308.06769	63.6
309.07425	4.1
310.07642	3.3
310.10806	2.9
311.09052	2.6
311.11636	2.0
312.12198	1.0
316.06253	0.5
317.08102	0.8
318.05109	0.5
319.05887	2.0
320.06479	0.6
322.10812	2.0
323.09119	14.1
323.12955	0.8
324.08737	1.7
325.10699	20.5
326.10529	0.7
328.11865	0.7
333.07431	0.8
335.09085	3.2
336.06131	3.3
336.12387	0.7
337.10373	0.6
338.10367	0.6
339.11029	6.6
340.11743	1.7
341.10101	1.9
343.11761	1.2
349.10773	2.5
350.10059	0.8
351.08615	100.0
352.08804	2.1
352.11951	2.0
362.10349	2.3
364.11722	0.9
366.13254	0.9
369.09808	0.6
379.10562	0.8
380.11255	9.3
392.11154	1.4
429.13217	0.4
429.18396	0.7
430.16663	1.2
434.15976	1.0
441.13025	0.7
442.13239	0.5
443.14035	0.7
454.12860	0.6
458.15878	1.1
460.17618	7.1
461.14508	0.8
468.14642	0.4
469.12503	0.8
486.15472	27.3
487.15964	0.9
497.17200	0.4
504.16522	29.5
505.17102	0.9
515.17755	0.6
561.20520	0.4
589.19672	0.5
621.21967	3.2
639.23346	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	641.1497
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03936	0.3
63.02362	0.4
67.05479	0.4
69.03426	10.0
69.07104	0.3
70.06586	0.6
70.85177	0.7
71.36848	0.2
72.08146	0.3
73.79851	0.2
75.57087	0.2
75.84264	0.2
78.04723	0.3
80.25698	0.3
81.03429	0.4
84.04505	0.3
84.08149	0.2
85.02900	0.6
86.09692	0.7
89.03907	4.2
91.05470	0.7
93.07028	0.5
95.04984	0.4
95.08608	0.3
97.02879	0.7
97.77942	0.2
99.04441	0.5
103.05470	0.9
103.26028	0.2
107.04971	0.3
109.02854	0.7
115.05466	0.3
117.03371	15.5
117.12570	0.2
119.04919	0.5
121.06493	2.0
122.39525	0.2
123.04431	0.3
127.03902	4.4
134.03615	1.1
135.04413	1.4
137.02301	0.6
137.05957	1.0
143.04869	0.2
145.02834	47.9
146.03162	0.7
147.04507	0.3
149.05951	5.8
151.03900	0.3
152.07117	0.2
153.01871	0.5
158.05949	0.3
160.04619	0.2
161.05927	0.4
163.03873	0.6
164.07091	0.3
167.07013	0.5
173.06032	0.3
175.03966	0.2
175.07420	0.3
177.05457	100.0
178.05782	1.7
181.04927	1.1
186.05447	1.3
187.07497	0.2
188.15933	0.2
189.05338	0.3
191.07025	0.4
195.06503	0.8
201.05479	1.2
205.04900	0.3
205.06616	0.4
207.06606	0.3
215.07022	0.3
217.08536	0.2
224.44785	0.3
229.04872	0.7
233.05971	0.4
233.08055	0.4
237.09119	0.3
257.04428	0.3
261.07535	0.7
265.08496	0.4
281.17651	0.3
293.07892	0.5
303.04974	11.3
307.09808	0.4
308.06790	0.5
311.09122	0.3
315.04816	0.4
321.09683	5.8
323.09125	0.4
325.10614	1.0
327.05099	0.3
328.11823	0.7
339.10773	5.8
351.08627	0.9
415.77890	0.2
417.15283	0.4
460.17160	0.5
465.19998	0.5
486.15274	0.8
488.16922	0.9
596.76331	0.2
641.23651	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	639.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.5
57.07069	0.7
58.06594	6.2
60.84498	0.4
64.25304	0.4
70.06568	0.8
70.64935	1.0
72.07760	0.7
72.08153	11.2
73.00910	0.4
73.06566	2.1
83.04970	1.2
84.08118	0.5
85.08946	0.5
86.09702	21.0
89.97620	0.4
98.06055	0.7
98.09692	0.7
100.11252	100.0
101.06010	2.2
101.11620	0.5
103.05341	0.4
128.10710	0.6
140.14359	3.0
146.11732	2.9
154.12274	1.7
158.57242	0.4
172.13339	2.3
182.11708	0.6
200.12843	0.7
200.16473	1.3
211.14447	0.7
214.14401	0.5
228.15929	6.5
285.21701	5.7
287.16559	0.5
299.23264	7.8
299.82434	0.4
327.22760	14.6
367.25760	0.5
383.24478	0.5
395.25510	1.3
412.31796	0.6
440.31064	3.4
458.32199	6.1
484.33945	0.9
512.33008	0.6
526.34808	0.4
611.43732	31.6
612.44312	1.1
639.43567	7.7
642.13025	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	634.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71987	0.9
55.01862	4.4
55.05510	8.1
56.05031	1.5
57.07074	0.9
58.85692	0.9
58.99585	7.2
60.10139	0.9
60.25013	1.0
67.05496	9.0
69.03406	1.5
69.07060	4.0
70.06583	4.7
70.80573	2.3
71.08622	6.0
74.00640	2.6
76.02230	30.2
76.04003	2.8
78.76246	1.1
79.05481	7.8
80.05012	2.3
81.03403	3.6
81.07065	10.4
82.06558	1.9
83.04966	3.0
83.06087	3.0
83.08616	7.7
83.28798	0.8
84.04499	12.3
84.08120	2.2
85.02894	1.5
85.04025	1.9
85.06521	1.3
86.00652	2.1
86.09689	3.5
86.99044	3.2
91.05479	6.1
93.07037	8.3
94.06556	1.1
95.04948	3.8
95.08612	6.8
97.01124	2.6
97.02863	1.5
97.06492	2.4
97.10162	5.7
99.05591	1.1
99.08072	5.7
100.02215	1.7
102.05552	1.8
105.07014	4.2
107.04911	1.6
107.08588	6.8
109.02819	1.5
109.06507	1.8
109.10133	3.7
111.02637	4.0
111.04443	2.2
111.08076	3.7
111.93892	0.9
112.02171	4.0
113.00564	2.5
114.03734	1.4
116.00914	1.3
116.01679	15.1
117.07026	2.2
119.08578	4.8
120.08059	2.3
121.06547	1.7
121.10107	2.7
123.02643	1.1
123.08041	2.8
124.02152	2.3
125.00509	1.0
125.04208	1.1
125.09586	2.8
126.03719	4.5
129.06592	3.7
129.10248	1.1
130.04991	6.9
131.04550	1.1
131.08571	3.0
133.10106	3.9
133.82944	0.9
135.02586	1.2
135.08052	1.3
135.11635	3.0
136.07622	1.3
137.09592	1.0
138.03664	1.3
139.02087	3.6
139.03156	1.5
140.01617	1.9
141.04794	1.5
142.03235	5.1
143.08542	1.1
144.01126	6.7
145.06046	1.5
145.10097	2.1
147.07835	1.6
149.09608	2.0
151.05710	1.0
151.07570	1.5
153.06544	1.2
153.12758	4.9
159.11786	1.2
161.09668	2.7
162.02219	14.2
162.03561	1.5
163.11189	2.8
165.65247	0.9
167.10649	1.4
170.02696	2.1
171.08392	2.4
175.11282	0.9
177.03265	3.6
179.04839	17.9
179.08817	1.2
181.12314	1.1
183.14990	1.0
185.03778	3.1
187.05353	2.8
189.03326	1.5
189.11168	1.5
191.10637	1.1
193.12248	4.3
194.09959	6.7
195.08418	2.1
196.11548	6.1
215.04933	1.5
222.09430	1.5
224.11069	2.0
225.09520	1.2
227.12802	3.8
228.10458	1.1
231.04320	6.2
233.05875	7.1
236.10934	2.3
238.12589	3.1
240.10486	3.7
242.12164	1.6
243.57355	1.0
245.05763	1.6
254.12106	4.7
256.13589	1.9
266.12070	3.0
268.44720	0.9
273.18457	1.3
277.16327	1.3
284.13031	1.6
291.19540	7.8
293.21008	1.0
299.14236	2.4
305.15585	1.7
308.09067	7.8
309.20618	5.4
311.14276	5.0
323.16861	9.9
345.14960	1.1
348.19870	10.7
349.18185	3.5
357.14774	13.4
366.20944	23.1
367.19370	10.4
369.14658	2.6
376.19128	1.2
384.22092	6.3
394.20389	2.9
402.23260	1.4
441.23978	1.4
451.22443	4.0
469.23666	28.8
487.24713	100.0
511.23068	1.2
541.25372	1.3
559.27148	10.6
575.90546	1.3
598.27667	3.4
616.29187	1.7
634.29999	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	633.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01863	2.6
55.05507	21.2
55.20996	1.9
57.03427	6.6
59.04989	3.3
65.03925	4.3
67.05504	100.0
69.03429	38.7
69.07075	16.4
71.04974	6.6
71.59191	4.2
76.09189	2.0
79.05074	3.2
79.05489	30.9
81.03418	24.0
81.07051	45.0
83.04971	7.0
83.08611	7.8
85.02903	4.1
85.06555	5.1
87.04458	2.0
91.05480	37.0
93.07046	37.4
95.04966	11.1
95.08606	30.3
97.02874	7.2
97.10161	5.6
99.04451	2.5
105.07033	21.2
107.04948	5.5
107.08608	21.6
109.02863	5.0
109.06490	6.9
109.10159	54.9
111.04401	5.6
111.08041	4.7
115.05534	2.1
117.07003	14.0
117.77669	2.1
119.08580	27.6
121.06484	4.5
121.10130	14.7
123.08047	2.7
125.09588	4.6
126.48508	2.0
127.03914	4.4
129.07024	10.2
131.08575	20.3
133.06462	3.0
133.10141	15.0
135.08049	5.8
135.11693	7.0
137.09592	5.9
141.06998	2.7
143.08566	9.5
145.06444	3.8
145.10103	15.3
147.08020	4.7
147.11725	10.3
149.09578	5.5
149.13237	2.6
153.09056	2.6
155.08496	3.2
157.10153	10.1
159.07993	3.5
159.11696	12.9
161.09648	3.3
161.13223	3.9
163.11142	3.1
166.31442	2.4
169.10107	6.0
171.11676	7.0
173.11719	16.3
173.13257	5.4
175.11256	4.2
183.11696	5.6
185.13245	3.9
187.14682	3.3
189.11227	3.3
197.09618	2.8
197.13283	4.6
199.14815	3.1
211.14851	2.4
227.12698	2.8
229.14311	18.5
237.67282	1.8
259.20615	4.1
261.22144	2.3
271.20453	2.3
273.22083	2.5
289.21692	2.4
299.14810	4.7
301.21533	7.4
301.27148	2.2
319.22638	4.1
327.23181	4.5
341.24725	4.8
351.23206	6.4
369.24228	10.4
387.25305	5.4
443.27841	5.8
461.28772	8.3
597.37842	4.5
615.38770	6.6
633.39911	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84173	1.0
55.05500	4.9
57.07077	12.0
62.48791	1.1
63.80264	1.0
67.05494	14.6
69.07064	8.1
70.08877	1.2
71.04978	1.8
71.08623	8.5
71.53507	1.4
71.53864	1.8
79.05493	3.3
81.07053	28.0
83.08617	4.1
83.93632	1.2
85.06525	4.8
85.10186	4.6
91.05442	1.4
91.09776	1.0
93.07014	2.1
95.08606	27.0
97.10179	1.3
109.10159	3.2
119.08604	2.5
123.11730	1.6
137.13272	1.7
138.93637	1.2
147.11667	2.4
165.12746	1.6
208.16974	5.3
223.65062	1.2
226.17966	7.2
239.23683	2.5
246.14499	1.2
277.53067	1.4
282.27832	1.6
313.27213	2.3
362.17175	1.9
380.18265	2.7
495.40421	100.0
496.40784	3.0
564.48895	1.5
618.41095	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	632.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33878	0.5
55.01869	0.6
55.05512	4.2
55.75499	0.5
56.05032	3.2
57.03413	0.8
57.07081	0.8
58.06585	0.6
58.94307	0.5
59.05003	1.0
59.83230	0.6
60.04511	0.8
61.02929	1.4
67.05501	1.4
69.03431	2.5
69.07062	1.4
69.76984	0.5
70.06591	10.9
71.08628	4.2
71.57792	0.8
72.08163	5.5
73.02930	0.6
74.06056	0.6
79.05502	0.9
81.03388	1.6
81.07066	1.8
82.06583	2.9
83.04976	5.7
83.06091	6.8
84.04502	75.5
84.08141	4.3
85.02898	11.2
86.06068	5.4
86.09702	8.0
87.04464	1.0
91.03929	0.7
91.05470	1.3
93.07043	0.8
95.04987	0.8
95.08597	0.9
96.08126	2.4
97.02895	2.4
98.09698	1.9
99.04504	0.8
99.08099	1.9
100.07618	14.2
101.06046	2.7
101.07132	4.0
102.05556	2.3
107.08558	0.8
108.08132	0.9
109.02887	0.9
110.06026	2.2
110.07176	1.4
110.09693	0.6
111.04441	16.3
112.03927	0.6
114.09187	0.7
114.67434	0.5
116.10731	14.2
119.04968	0.7
120.08122	5.4
120.39854	0.5
121.62422	0.5
122.09684	1.4
124.07571	0.7
127.03950	1.2
128.07077	42.4
129.05490	2.5
129.06606	11.2
129.10226	2.4
130.05000	10.5
136.07562	2.9
137.06006	1.0
138.09172	0.7
140.10709	0.6
141.10252	0.6
143.05878	0.5
143.10672	1.4
145.02858	0.6
146.08118	19.3
147.04410	1.0
147.06511	1.5
148.07590	4.2
150.09134	1.1
152.07121	1.0
154.08649	0.7
154.15904	1.7
155.08200	0.8
159.09180	1.0
163.03842	0.7
164.07034	0.5
166.08681	2.3
166.15935	2.2
167.07013	0.6
168.17445	0.9
173.12846	0.7
176.06990	3.2
177.05464	0.9
178.08641	2.2
178.15936	0.8
185.54549	0.7
193.09695	1.7
194.08156	7.3
195.11313	1.8
196.17000	6.0
211.10768	6.5
212.09213	1.6
214.18011	100.0
215.18408	1.1
221.09181	2.3
222.07613	2.6
226.14471	0.6
229.11749	2.7
239.10262	61.6
240.08620	3.7
240.10608	0.6
257.09332	0.3
257.11304	16.5
376.23282	55.4
452.18381	0.8
470.19376	0.8
470.28430	2.0
507.21890	0.9
632.33282	2.3
652.04327	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	633.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.9
55.01859	3.9
55.05507	20.5
57.03427	9.4
57.07077	3.1
59.04984	5.3
64.12283	3.0
65.03922	4.7
67.05500	100.0
69.03426	38.1
69.07058	14.4
69.54084	21.0
69.54492	6.1
71.04990	7.0
75.27998	3.2
79.05489	34.1
81.03413	31.4
81.07054	53.9
83.04973	9.0
83.08601	8.8
85.02888	6.6
85.06547	5.6
91.05477	37.7
93.07035	42.9
95.04964	14.4
95.08607	32.6
96.83365	2.9
97.02879	6.3
97.06529	6.5
97.10159	5.7
104.83555	3.1
105.07030	23.3
107.08608	32.1
109.06531	7.5
109.10150	61.4
111.04430	8.9
111.08040	5.0
117.07022	14.2
119.08561	29.2
121.06492	4.6
121.10152	19.2
123.04409	3.6
123.08027	6.8
123.11755	3.6
125.09620	5.7
127.03881	5.7
129.07016	10.2
130.83678	3.1
131.08569	19.5
133.06505	3.2
133.10135	17.8
135.08034	4.1
135.11687	9.1
137.09610	9.7
139.11096	3.9
143.08530	11.3
145.06563	4.2
145.10106	13.6
147.08087	5.9
147.11664	13.2
149.09605	3.9
149.13234	5.1
155.08514	6.1
157.10162	9.0
159.11685	11.5
161.13235	4.4
163.11243	4.4
169.10147	3.4
171.08083	4.0
171.11772	6.4
173.09738	3.7
173.10326	3.7
173.11725	27.3
173.13200	7.5
175.07486	3.6
175.11124	4.7
181.10031	3.8
183.11629	4.4
185.09666	4.2
185.13272	4.5
189.11165	6.0
189.12711	4.0
189.97705	3.1
199.10995	4.0
229.14301	21.3
259.20615	4.0
273.21768	3.3
277.21634	4.0
283.20499	4.1
289.21640	3.5
299.14728	6.2
301.21555	8.3
319.22806	4.7
327.23010	4.1
351.23306	6.5
355.17429	4.6
369.24106	15.0
387.25177	5.9
411.67664	3.5
443.27933	4.7
461.29199	7.8
597.37415	7.8
615.38721	13.3
633.39862	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01871	3.8
55.05507	7.8
56.05023	1.5
57.03426	1.2
57.88643	0.5
57.98790	1.0
58.99581	8.8
64.22118	0.5
65.03935	0.8
67.05504	7.5
68.04993	0.6
69.03428	1.1
69.07064	9.5
69.39015	1.3
69.39429	3.6
70.02946	1.3
70.06573	1.8
71.04987	0.7
73.01128	1.0
74.00656	2.0
76.02223	32.9
76.04007	2.7
79.05491	8.5
80.05016	2.8
81.03406	1.8
81.07053	17.0
83.04980	4.3
83.06101	3.4
83.08617	4.7
84.04502	13.0
84.08130	0.9
85.01114	0.8
85.02885	1.1
85.04024	1.1
86.00626	1.8
86.09719	1.3
86.99043	2.9
87.02673	0.8
88.02197	1.8
91.05466	6.5
93.07035	6.9
94.06571	0.9
95.04967	3.4
95.08604	5.8
97.01098	2.9
97.02863	1.2
97.06522	2.8
97.10160	5.8
98.00637	0.9
99.05589	0.6
100.02184	1.0
101.00599	0.7
102.05563	0.7
105.07036	4.6
107.04944	2.4
107.06071	0.6
107.08592	7.4
109.02871	1.1
109.06496	2.8
109.07623	0.7
109.10153	2.6
110.06052	0.7
111.02677	1.9
111.04428	1.2
111.08065	2.1
112.02190	5.0
113.00582	3.7
113.03499	0.6
113.04221	0.7
114.03756	2.2
116.01669	14.2
117.07006	3.2
119.08595	4.7
120.08076	1.2
121.06477	1.9
121.10132	2.5
121.84981	0.5
122.06011	0.9
123.01384	0.8
123.02634	0.8
123.04423	1.4
123.08025	4.1
124.02162	5.0
124.07571	0.7
125.04218	0.6
125.09614	4.9
126.03740	4.2
127.02150	0.8
129.06487	2.8
130.05002	6.7
131.04628	0.8
131.08557	2.0
133.06509	0.9
133.10103	2.8
134.09705	0.6
135.02644	1.2
135.08029	2.9
135.11687	1.9
136.02168	1.6
136.03908	1.0
137.04118	0.7
137.09647	1.0
138.03703	1.6
139.02142	1.1
139.05803	0.7
140.01659	1.3
140.05327	1.0
141.04802	1.0
142.03218	5.2
143.08537	1.4
144.01131	5.3
144.08095	0.6
145.06035	3.0
145.10127	2.2
147.07977	1.0
147.11674	0.9
149.04199	1.0
149.09564	1.4
150.03796	0.7
151.05779	1.2
151.11159	0.8
152.01665	1.3
152.05270	0.9
152.07048	0.7
153.06595	1.8
153.12723	3.3
155.08211	2.1
157.10159	0.9
159.08052	1.5
159.11632	0.9
160.11182	0.6
161.04147	0.8
161.09558	2.9
162.02190	15.0
163.07494	1.3
163.11162	1.6
165.09093	0.7
168.04684	0.6
170.02672	1.6
173.09590	1.2
175.05746	1.1
177.03357	2.8
177.05588	0.5
177.07335	1.9
177.09012	0.6
178.12302	0.7
179.04848	17.0
181.06104	1.1
181.12201	1.1
185.03786	3.5
187.05385	4.7
188.10847	0.8
189.03239	1.0
189.07292	0.8
189.09224	0.6
189.11243	1.9
191.05273	0.8
191.10645	1.2
192.08424	3.0
193.06850	2.7
193.12215	1.9
194.09987	4.1
194.38788	0.6
195.08348	0.8
196.11557	0.8
199.07201	1.7
204.08380	1.1
205.06665	0.8
212.10907	0.8
222.09465	2.9
222.15103	0.8
223.07874	0.6
224.11086	2.3
225.09431	0.8
227.12796	2.9
231.04341	7.1
233.05930	8.4
236.11057	1.7
238.12643	1.4
240.10472	3.9
241.11272	1.3
242.12128	2.5
245.05977	2.2
248.11029	1.3
250.12585	0.6
252.52161	0.6
254.11780	3.2
254.14317	1.1
256.13611	1.5
261.18408	0.8
266.12064	5.0
271.16946	1.4
275.14526	0.9
278.11972	3.7
282.11682	1.0
284.13150	1.8
288.06464	0.9
289.17953	7.9
291.06628	0.6
297.12943	1.4
303.05057	1.7
303.13901	1.7
307.18970	3.7
308.09100	6.8
311.14185	5.4
318.18976	0.7
319.17285	1.3
321.15170	9.8
329.15710	1.5
343.13254	1.0
345.14709	1.9
346.18314	7.2
347.16568	3.3
357.14740	8.7
361.03656	1.7
364.19415	22.7
365.17728	6.4
366.26718	0.8
369.14658	3.4
374.17822	1.4
382.20422	8.2
383.18744	1.4
387.15903	1.2
392.18875	2.1
400.21686	1.6
439.22775	1.0
449.21121	3.5
450.19547	0.8
467.22122	24.6
485.23141	100.0
486.23505	2.0
521.23389	1.3
533.23303	1.5
557.25208	11.1
588.34521	1.1
596.26282	2.8
600.25079	1.7
614.27423	1.8
615.26514	0.8
632.28461	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	630.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
55.21921	0.5
55.39562	0.6
57.07079	7.5
58.06593	2.4
59.04990	0.7
60.44439	0.6
67.05470	0.7
70.06205	1.1
70.06591	20.7
71.00326	1.4
71.08621	1.6
72.08158	1.1
75.14775	0.6
81.07051	0.6
85.10175	1.2
86.09674	0.7
88.07626	22.1
102.09176	15.0
105.03388	0.7
139.03918	0.7
144.33693	0.6
147.04359	0.8
149.02336	38.8
175.03973	0.9
177.05460	0.8
184.20622	0.7
191.07019	0.7
193.04953	48.6
219.06454	1.3
228.23225	51.6
237.07552	13.5
269.04419	1.5
272.25912	1.4
275.75531	0.7
297.04019	1.8
313.07080	2.6
341.06516	9.3
359.07608	8.2
385.09143	21.0
386.10355	0.6
429.11813	28.1
481.49115	0.7
612.31982	1.4
630.32697	100.0
631.33240	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	631.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18203	1.2
56.96549	2.0
57.68156	1.1
58.59781	1.1
66.03310	1.1
67.05489	3.1
69.07045	4.4
70.06585	7.3
71.18898	2.8
73.42152	1.2
79.05493	1.7
81.03412	2.1
81.07028	2.2
84.04505	2.3
84.08142	4.0
86.09684	1.8
86.30142	1.2
91.05485	3.2
94.06573	6.0
95.04954	1.4
95.08599	1.5
95.45255	1.4
105.06995	1.3
110.07132	1.2
118.06580	1.3
120.08076	1.9
121.06486	1.7
122.06026	18.9
130.04964	2.0
134.05969	1.7
136.07614	1.9
140.07040	28.9
144.04433	2.3
146.06001	11.1
148.07578	3.2
172.03952	16.3
172.07614	1.5
173.04610	1.6
174.05524	15.0
176.07033	6.7
182.87241	1.2
190.05031	3.1
191.05728	2.0
192.06598	1.8
194.09776	1.4
196.09798	1.5
197.10767	1.9
204.06541	30.7
206.08112	11.2
210.09262	1.4
211.08688	2.9
212.09392	1.8
225.10242	6.1
227.11789	13.6
236.09660	1.2
237.10274	2.6
238.11102	2.4
239.11813	2.4
241.09656	2.0
249.10287	1.5
251.07994	1.6
251.11760	2.5
261.12344	1.8
264.08838	1.6
265.09549	1.7
266.10510	1.6
267.11246	2.2
269.12820	12.0
270.09976	1.6
271.10788	4.2
277.09708	1.4
279.10980	1.6
283.10800	8.2
284.11511	6.1
285.12241	3.8
287.10992	2.1
287.13931	23.7
297.12378	2.9
301.12189	5.4
312.14999	2.0
313.11795	27.3
314.12823	1.9
315.14029	2.0
316.14291	6.4
323.10001	2.4
328.14511	2.3
329.11523	4.1
329.15128	1.7
330.12479	2.9
330.16000	5.5
331.12823	11.6
331.16724	5.2
342.12366	6.2
342.15915	1.4
343.13171	4.3
344.17627	5.3
345.14490	15.6
352.14536	1.9
356.13986	4.4
357.14703	2.1
358.15512	9.2
363.15363	1.6
370.11505	2.1
370.15555	4.1
372.17038	3.5
382.11749	3.9
383.12476	2.4
383.24393	1.5
384.13254	11.6
385.13913	2.0
386.14496	6.7
386.19159	2.8
388.16351	1.8
390.18015	4.7
398.14984	15.9
399.15717	23.6
400.16571	31.1
401.17062	1.6
402.14221	2.1
409.13754	1.3
412.16470	1.7
414.18124	4.7
415.19019	1.7
416.15747	2.4
417.16776	5.9
418.17700	8.5
430.17694	2.7
431.18503	2.4
440.16281	3.7
441.16647	3.4
444.15399	2.0
458.17111	31.9
459.17685	24.0
460.18719	4.0
490.19519	5.8
491.20261	4.5
527.28601	3.5
557.23932	5.7
581.23877	7.1
599.24994	100.0
600.24921	4.6
631.27301	3.4
631.37451	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	629.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05461	0.9
56.05008	0.6
56.08723	0.3
62.24227	0.3
65.03886	1.1
65.04192	0.4
69.03391	0.4
69.07033	0.5
70.06589	10.1
71.06864	0.4
71.51709	0.6
72.08154	5.3
73.63485	0.3
79.05444	0.7
79.95423	0.3
81.07027	0.8
84.04495	1.8
84.08144	3.0
85.02844	0.7
86.09700	8.9
87.05542	0.4
87.41080	0.3
88.55186	0.4
89.03873	0.5
91.05479	19.1
93.06996	0.5
101.07105	0.6
102.05531	0.6
103.05387	0.8
104.05289	0.4
105.06953	0.4
107.04897	0.8
109.06413	1.2
110.07085	1.1
111.04350	0.4
112.08672	0.5
119.04939	10.0
120.08064	2.1
121.06384	0.4
129.10263	2.4
130.04907	0.4
131.04884	0.9
135.04431	2.1
136.07481	1.0
137.05972	42.2
138.06262	0.6
138.24916	0.3
141.03252	1.0
141.10138	0.4
152.06972	1.2
154.08592	0.5
159.04367	0.8
160.05238	0.9
160.07295	0.4
161.05878	0.6
162.05394	0.6
162.42175	0.4
163.03848	0.9
165.06963	0.7
166.56351	0.3
167.07042	0.5
171.11230	0.5
171.14822	0.5
177.05458	6.6
180.06563	3.0
181.04913	0.4
181.06354	0.8
185.16492	0.6
187.03825	75.4
188.04219	0.9
193.06458	0.6
195.07910	0.4
199.18053	0.4
204.06366	0.3
205.06438	1.2
212.03365	0.7
213.15894	0.4
221.05965	32.9
222.06346	0.7
223.07552	3.2
227.17540	0.4
230.04501	3.6
233.05901	0.9
234.06694	0.5
239.06921	0.9
242.04398	1.0
249.05463	28.0
250.05940	1.1
251.06976	3.6
253.04877	1.0
266.05716	0.4
267.06509	4.5
269.08026	2.4
271.06024	0.9
277.04956	5.4
281.04413	1.1
285.07538	7.4
295.05994	100.0
296.06274	2.0
299.05496	1.0
341.06573	0.6
366.09705	14.5
366.14291	0.7
397.28009	0.4
448.13885	21.6
449.14508	0.8
476.13394	69.9
477.13763	1.1
629.21350	1.0
648.88641	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	627.2807
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05490	1.1
67.05493	1.7
67.55468	0.8
69.07056	0.9
70.02946	0.7
71.51772	0.9
79.05511	1.2
81.07063	1.6
81.47903	0.7
91.05486	1.7
95.04958	0.9
105.07036	1.1
130.59291	0.7
132.75949	0.6
133.10201	1.0
136.07578	2.1
146.09641	1.6
158.08372	0.8
160.96114	0.6
172.07591	1.2
172.10022	0.8
174.09103	4.4
187.08713	1.2
187.12312	4.5
188.10712	1.9
197.10753	0.8
198.09207	1.2
211.08624	2.0
213.10118	0.9
215.11867	3.2
225.10208	3.3
226.11072	0.9
227.11797	3.0
235.08781	1.3
237.10048	0.8
239.07864	0.8
239.11772	1.7
241.13269	3.7
243.11285	24.3
243.13669	1.5
249.10316	1.3
251.11871	2.3
252.08961	1.5
253.09790	1.7
263.08459	0.7
263.11807	1.1
265.13416	1.1
267.11243	7.7
269.12872	2.2
272.16675	0.7
277.09717	2.2
285.12378	2.3
291.11136	1.6
292.10889	0.7
295.10638	3.8
299.14059	1.1
301.12509	0.9
301.15494	4.6
305.11841	0.8
309.12436	2.1
314.12961	1.9
316.10883	1.1
316.14560	1.1
317.11130	0.9
319.10724	0.9
325.15494	10.3
327.13409	8.1
328.10724	2.7
328.14417	1.8
329.11563	1.2
330.12408	3.1
330.15964	1.1
331.13177	1.1
332.13843	1.0
334.15491	1.6
341.11859	0.8
342.12390	3.8
342.16104	1.0
343.13297	3.1
344.13849	3.5
345.14981	1.5
346.15445	3.0
348.09698	0.9
348.13394	3.8
351.13657	1.0
355.13345	1.2
356.13947	3.7
357.14786	1.5
358.15619	3.6
360.17093	1.0
366.18176	1.2
367.13715	0.8
370.15643	3.0
371.16544	0.9
372.13022	1.0
372.17068	4.0
374.14609	0.7
374.18777	0.8
376.12854	0.7
383.16339	0.9
384.17584	1.2
386.14694	1.8
386.18674	2.3
398.15082	1.3
400.16708	3.3
403.16019	1.3
405.16727	0.8
412.16928	1.1
416.16241	1.5
417.17026	1.1
418.17877	1.7
421.16742	0.9
423.18137	0.9
430.17737	1.6
431.18826	1.8
432.19540	3.9
435.18555	1.6
436.19324	1.4
437.19940	1.9
438.20978	0.9
444.19516	1.5
445.19974	1.3
447.22668	3.7
448.15094	0.8
449.15585	1.4
449.20392	0.9
450.16672	1.3
451.17215	1.6
460.18774	1.3
461.23529	2.4
462.24088	3.0
463.21423	2.7
464.18979	0.8
464.21161	0.7
465.18729	12.6
466.19440	1.0
467.21014	0.9
472.18900	1.2
477.19089	1.1
478.19745	2.1
479.20493	6.6
480.21484	4.7
481.22250	3.5
489.22812	1.0
490.20914	1.2
491.21075	1.3
492.21313	3.4
493.22928	5.0
504.21378	2.9
505.21671	1.3
506.23068	1.0
507.24136	5.1
508.21039	1.8
517.22339	1.7
520.21063	1.6
521.21460	1.1
535.23260	6.1
536.23566	1.2
537.21710	1.4
539.26282	0.9
540.23962	1.3
541.23950	1.9
545.21393	1.1
549.24951	14.0
552.23022	1.0
553.24658	2.6
563.22827	1.3
567.25995	69.6
568.26587	2.3
577.24780	2.8
595.25439	49.8
596.26025	1.5
609.26892	2.5
611.99921	0.9
627.28082	100.0
628.28247	2.9
636.82568	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	627.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
60.60020	0.9
67.05508	1.4
70.06565	2.2
71.51801	0.9
79.05480	1.6
81.07050	1.7
86.09686	1.2
91.05474	6.5
93.07044	9.2
94.04170	2.2
95.04961	2.8
95.08593	1.2
103.05468	6.6
105.07037	1.2
107.04964	1.3
109.10151	1.0
111.04386	1.0
115.05451	1.2
119.04931	1.1
119.08585	1.1
120.05767	1.0
121.06497	68.5
122.03632	8.9
129.10234	1.2
131.04913	3.8
136.07558	1.3
137.05974	100.0
138.06273	1.3
138.09138	2.9
143.04918	3.3
146.06131	1.0
147.04417	1.0
148.07561	10.1
149.06050	1.1
151.03894	2.0
152.07071	1.0
157.02794	1.2
159.04436	1.9
160.05193	1.8
161.05952	2.3
162.05450	1.1
163.07533	1.9
164.07080	3.1
167.07050	2.3
174.05536	1.6
175.07565	7.3
176.04730	2.1
177.05447	2.4
177.06956	1.3
189.05423	5.9
191.07027	16.5
201.05467	3.8
203.06981	5.0
205.06444	8.6
217.04930	6.9
219.08047	1.3
222.06728	2.9
233.05980	9.7
234.06622	1.9
237.09087	6.5
239.06853	1.7
240.15317	0.9
247.07672	2.0
249.05367	1.3
250.06192	9.8
251.06755	1.3
253.08475	0.9
261.05466	3.3
262.06146	1.2
263.07037	1.2
264.07886	5.6
265.08582	34.0
267.06531	2.4
272.12827	1.4
277.04904	1.5
277.08408	1.1
278.05713	4.8
279.06531	4.3
279.09778	0.9
281.08151	1.4
282.08807	3.1
292.07275	8.5
293.08044	35.6
294.08731	5.5
295.05969	2.5
297.11157	6.7
307.09589	9.8
309.07550	3.0
310.08347	11.7
325.10687	82.0
338.07791	1.0
353.10165	60.1
354.09521	1.1
354.13409	23.5
366.13348	17.9
462.18970	3.6
490.18582	58.2
491.19162	1.5
627.28320	2.9
645.56104	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	627.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03252	0.2
56.90376	0.1
58.11175	0.1
59.44649	0.2
71.50038	0.2
79.05470	0.2
93.77043	0.1
97.02879	0.2
106.06522	0.4
107.04951	2.0
109.05155	0.3
110.03532	0.8
128.04556	0.5
128.30089	0.2
133.04980	0.2
134.06036	0.5
135.03035	1.8
135.04402	1.7
137.05991	0.2
149.97255	0.2
150.07761	0.5
152.05676	100.0
152.07025	8.0
153.04082	4.1
153.05356	0.2
153.06018	0.5
153.07320	0.2
161.11246	0.2
167.33719	0.1
203.03731	0.2
239.55687	0.1
240.22394	0.2
284.09900	7.5
330.25317	0.2
476.12500	0.2
588.69897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01854	0.3
56.05017	0.1
56.16105	0.1
57.03418	0.5
57.05789	0.1
60.04516	0.2
61.02914	0.7
68.99782	0.4
69.03097	0.1
69.03432	2.0
69.07053	0.1
70.06586	3.0
70.26936	0.5
71.04983	0.2
72.08150	0.9
72.99290	0.1
73.02923	0.1
74.06072	0.1
75.23938	0.1
75.29140	0.1
80.63921	0.1
81.03417	0.8
84.04493	0.5
84.08155	0.8
85.02901	5.3
86.09704	1.2
87.05561	0.2
91.03951	0.3
91.05472	0.3
92.56464	0.1
93.03405	0.2
95.04934	0.3
97.02892	1.6
99.04465	0.3
102.05524	0.2
105.35366	0.1
107.04881	0.2
109.02885	0.8
110.07163	0.3
111.00770	0.7
112.08651	0.1
119.04885	0.1
120.08099	0.4
121.02851	0.8
127.03911	1.5
127.08666	0.1
129.10258	0.6
135.04344	0.2
136.07581	0.6
137.02341	2.9
137.03415	0.2
137.05984	0.1
145.02849	0.4
145.04944	1.2
145.06129	0.2
147.04391	0.3
149.02348	0.3
152.07028	0.4
153.01817	2.8
155.08130	0.1
161.06024	0.2
163.03893	0.7
165.01839	1.7
166.02617	0.2
169.13499	0.1
173.05968	0.3
177.05499	0.4
183.02916	0.8
183.04402	0.2
187.03848	0.2
191.03313	0.2
191.99202	0.1
195.02878	0.2
199.83295	0.1
201.05466	1.3
211.03955	0.2
213.05338	0.2
219.02979	0.1
219.06512	0.2
229.04965	3.4
247.06039	0.7
257.04422	2.6
263.13675	0.1
274.04803	0.8
275.05499	0.2
285.03976	1.3
286.04767	0.1
303.04965	100.0
304.05402	1.0
315.04959	0.1
320.89053	0.1
327.05173	0.1
345.06046	0.3
356.35849	0.1
358.77600	0.1
436.20465	0.1
465.10281	9.0
604.90863	0.2
627.23267	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01863	1.0
55.05512	3.2
55.61458	0.7
56.05020	0.5
56.96561	0.7
57.03422	0.8
57.07065	2.0
57.73013	0.6
57.80600	0.6
59.04995	1.2
67.05502	5.3
69.03433	2.8
69.07069	9.8
70.06581	2.3
71.04980	1.8
71.08631	1.2
71.51134	0.5
72.08118	1.0
79.05496	2.6
81.03416	2.2
81.07056	14.3
83.04991	1.0
83.08621	4.3
84.04462	0.7
84.08121	0.7
85.02898	2.8
85.06548	1.3
86.09698	2.0
91.05479	13.0
93.07042	65.7
94.07373	1.0
95.04380	0.9
95.04966	10.4
95.08597	10.8
97.02876	0.8
97.06529	1.5
97.10159	1.6
103.05477	4.7
105.01855	1.4
105.04517	1.3
105.07027	4.5
107.04951	1.2
107.08582	6.5
108.09000	0.6
109.02871	1.1
109.06516	2.1
109.10152	9.0
110.10441	0.7
111.04488	0.9
111.08094	4.2
111.11713	1.3
115.05414	0.7
117.07007	1.1
119.04944	0.5
119.08605	3.4
120.08106	1.3
121.06503	100.0
121.10134	6.8
122.03668	0.6
122.06841	1.4
123.04409	0.8
123.08078	0.7
123.11707	4.8
125.06060	0.6
125.09621	1.4
127.03931	1.5
129.10294	0.6
131.08557	1.1
133.10141	3.6
135.08038	0.7
135.11700	2.0
136.07559	0.5
137.05969	6.7
137.13280	1.7
138.09102	0.6
139.11162	1.0
145.02872	0.7
145.04965	0.8
145.10118	2.2
147.04411	0.8
147.11656	3.1
149.06039	0.9
149.09569	1.1
149.13239	2.7
151.03944	0.8
151.11186	0.9
152.07101	1.1
153.12772	0.8
159.02864	0.5
159.11693	1.6
160.91396	0.5
161.06007	0.7
161.13287	1.7
163.03880	0.6
163.11153	0.7
163.14851	0.7
164.07108	2.0
167.07040	5.7
167.10645	0.8
167.14252	0.6
171.04280	0.6
173.06038	1.2
173.13188	0.6
175.07574	1.3
175.14830	1.3
177.05476	2.4
177.12779	0.8
177.16371	0.9
179.14348	0.6
181.04987	2.3
189.16425	0.8
191.17828	0.6
195.17453	1.3
201.05499	1.1
201.16409	0.8
203.07082	1.3
207.06540	0.6
209.08199	0.8
209.19058	1.2
215.17883	0.7
217.04933	1.4
218.08125	39.9
238.09541	0.6
249.22133	1.0
265.08640	1.8
266.08926	1.0
271.24222	5.3
272.12775	1.5
273.13159	1.2
289.25256	11.7
292.07303	0.6
293.07904	1.3
294.08600	0.8
295.26321	2.3
307.09680	1.2
307.26303	11.7
308.09897	0.6
325.10687	2.8
325.27380	13.9
326.10971	2.7
343.19791	0.8
343.28394	0.7
351.08734	1.0
352.09039	2.4
417.15457	1.4
463.19061	0.9
489.17599	0.7
490.18787	1.5
523.25659	1.7
583.29565	1.1
627.27582	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	626.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95732	0.5
55.05520	3.0
56.05035	5.2
57.07085	0.9
57.62777	0.5
58.06599	94.4
67.05496	2.3
69.07064	1.1
69.44619	4.2
73.34977	0.5
77.80608	0.6
79.05494	2.3
81.07047	3.0
83.06091	4.9
83.08619	4.4
84.04501	85.2
86.09702	13.4
91.05498	1.4
93.07024	2.1
95.08595	2.2
97.06498	0.5
98.98432	0.7
100.11251	2.8
101.07137	100.0
103.08690	0.6
103.14640	0.5
105.07029	1.5
107.08517	1.1
108.08125	0.9
109.10169	1.0
113.07098	1.2
117.07094	0.9
118.11456	1.0
118.12285	17.7
118.14063	0.5
119.08555	0.8
128.10703	3.3
129.06586	2.1
133.10158	1.2
135.02951	0.6
135.08066	0.7
138.20096	0.5
141.06615	1.8
145.10066	0.7
152.07091	0.9
152.10663	1.0
169.13293	1.2
180.06520	1.7
196.14424	8.0
197.09149	1.1
197.12856	6.2
213.19574	4.5
214.11786	1.8
214.15536	4.5
224.13869	2.4
225.12254	1.2
231.20677	7.5
240.23213	9.1
242.14944	5.5
268.22705	34.2
307.74969	0.6
323.24249	1.7
324.22726	6.2
341.25485	7.1
342.23730	2.5
359.26605	3.4
396.28555	63.7
397.28384	1.1
413.37433	1.0
471.04065	0.6
509.36914	3.8
528.37451	1.2
529.38556	2.1
608.47430	11.2
609.44043	0.9
626.47839	1.3
627.26984	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	626.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91793	2.9
53.03947	6.0
55.01855	3.2
55.05502	19.4
57.07071	9.9
65.03928	4.6
67.05504	25.2
69.03421	9.7
69.07066	48.9
69.46756	12.1
69.47175	16.1
70.06579	24.2
71.04985	8.5
71.08640	3.5
72.08155	8.2
77.84492	3.0
79.05507	22.6
81.03429	6.7
81.06594	6.9
81.07051	100.0
83.04986	8.2
83.08601	15.6
84.04499	6.4
84.08128	12.0
85.02898	13.0
85.06547	5.7
85.10120	3.8
86.09713	15.7
87.00804	4.0
91.05446	23.6
91.21198	3.7
93.07043	76.9
95.04966	14.4
95.08598	71.1
97.02848	4.6
97.06503	10.9
97.10178	7.2
98.20735	3.4
99.08166	4.8
103.05456	9.0
105.07032	21.3
107.04951	13.6
107.08576	43.7
108.08880	5.4
109.06485	7.6
109.10155	51.2
111.08060	9.4
111.11701	7.5
119.08588	12.5
120.08086	7.6
121.06501	27.3
121.10134	45.7
122.06863	6.8
123.04418	7.1
123.07993	5.6
123.11707	31.4
125.09586	5.0
127.03908	7.7
131.08569	5.3
133.06496	3.4
133.10146	11.8
135.04419	5.2
135.11690	35.1
136.07613	4.7
137.05946	19.2
137.09608	6.6
137.13248	21.8
138.06384	4.5
139.11140	7.2
145.04964	4.8
145.06418	4.3
145.10152	10.2
147.04385	4.6
147.11687	7.8
149.13271	14.8
151.11191	11.2
153.12744	11.8
155.10654	5.5
155.14294	4.6
159.11674	11.2
161.05965	7.3
161.13237	10.8
162.05496	5.4
163.03999	4.8
163.11157	9.5
163.14763	4.4
164.07079	4.0
165.05486	4.7
167.07051	18.5
167.14296	5.0
169.12250	6.5
173.13286	5.2
175.07462	6.3
175.14844	7.8
177.05502	8.6
177.12761	3.5
177.16342	9.3
181.04939	38.8
181.12219	23.9
182.05249	10.7
189.16327	4.3
191.06886	4.8
199.13322	10.1
201.05507	9.8
202.05707	5.2
207.06454	5.4
215.18094	5.7
220.07129	4.0
252.59030	3.8
271.24197	15.2
289.25125	32.2
293.07886	4.6
295.26340	8.0
296.93225	3.6
307.26288	31.4
325.10812	7.3
325.27292	22.8
326.10916	8.2
328.14136	4.1
329.57928	4.1
343.28497	4.6
365.12134	5.4
386.13406	6.0
416.14371	8.1
417.14789	22.3
463.19171	14.7
627.29248	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	625.2542
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.02366	0.6
53.03938	1.9
55.01858	1.0
55.05484	0.6
65.03915	0.6
67.05490	1.1
69.03402	0.9
69.07059	0.8
70.06586	2.0
71.04968	0.3
72.08141	0.5
77.03932	0.8
79.05473	1.4
81.03394	1.3
81.07048	2.0
84.04465	0.5
84.08129	0.6
85.02904	0.4
86.09680	1.3
89.03906	0.4
91.04905	0.6
91.05476	12.2
93.07040	19.9
94.07391	0.4
95.04956	4.6
95.08592	0.8
96.81935	0.3
97.06513	0.9
100.11234	0.3
102.04706	0.3
103.05459	12.9
103.87511	0.3
105.04486	1.2
105.07034	0.6
107.04942	0.9
107.08588	0.8
109.06496	0.7
109.10136	0.8
110.03626	0.7
111.04433	0.5
111.08032	0.4
112.14697	0.3
115.05445	1.4
117.03384	1.1
117.07013	1.0
119.04905	1.3
119.08630	0.4
120.05723	1.1
120.08070	0.6
121.06499	100.0
122.06815	1.3
123.04433	0.7
123.11666	0.4
125.05965	0.9
125.09569	0.5
127.03924	0.3
129.10210	0.3
130.04115	0.5
131.04945	0.6
133.02843	0.9
133.10091	0.4
135.08110	0.3
135.11662	0.4
136.07529	0.9
137.05969	5.2
141.03381	2.1
143.04915	1.2
145.02823	2.3
145.05365	0.3
145.06488	2.1
146.05981	0.4
147.04396	1.0
147.11623	0.4
149.05971	1.2
151.03900	0.9
151.07542	0.4
152.07080	3.0
158.03621	1.4
160.05223	0.9
161.05891	0.6
162.03195	0.5
163.07541	0.5
163.58884	0.3
164.07071	2.7
167.07010	1.0
167.10641	0.4
171.04558	0.3
173.05962	2.6
175.03896	0.7
175.07544	1.5
177.05508	4.2
177.06914	0.7
179.08478	0.5
181.05003	0.6
186.03123	2.5
189.05443	1.2
189.07010	0.4
191.07048	3.8
194.07213	0.8
201.05402	76.2
202.05774	1.3
203.07072	0.9
205.06442	4.2
207.08076	0.5
219.08151	0.7
220.05222	1.2
221.05922	0.9
222.06734	2.4
226.04913	0.7
229.03580	0.5
233.05939	2.5
234.06775	1.2
235.07521	3.4
236.08232	0.4
237.05481	0.5
237.09088	7.8
239.07002	0.6
244.06042	6.1
247.07530	1.1
248.04654	1.5
249.05421	1.4
250.06270	2.7
251.07002	0.8
252.07831	0.4
263.07043	3.8
264.07822	1.0
265.04999	2.0
265.08588	10.2
266.09375	0.5
267.06528	1.9
269.17303	0.3
272.12793	4.2
276.04221	0.9
277.05106	0.4
278.05798	0.5
279.06448	0.7
280.07129	2.2
281.07779	0.4
282.08841	7.5
291.06479	5.2
292.07224	0.9
293.04483	1.3
293.08063	2.3
294.56247	0.3
295.09598	0.8
297.11203	4.0
299.12698	0.6
305.24304	0.3
306.25427	0.5
307.09607	1.3
308.06757	5.1
309.07153	0.4
310.08145	0.5
312.12292	0.4
313.10742	0.4
323.09125	12.5
323.25845	0.8
324.08923	0.4
324.26080	0.9
325.10651	4.9
336.06290	0.6
338.13843	2.1
350.10876	0.4
351.08716	2.8
353.10107	0.5
364.11768	18.1
365.12027	0.4
368.11328	1.6
369.09564	1.7
412.57770	0.4
416.14600	0.6
460.17545	11.8
461.17960	0.4
462.19104	6.5
463.30228	0.5
488.17032	63.0
489.17468	2.1
496.87820	0.3
625.24652	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	625.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.01869	0.9
55.05501	1.1
60.44559	0.7
62.63924	0.6
67.05505	1.5
69.03429	1.0
70.06590	1.7
70.80511	1.5
71.04988	0.7
72.08144	0.7
79.05490	1.4
81.07047	2.4
84.04486	0.6
84.08129	1.1
86.09708	1.3
91.05473	6.1
93.07029	5.6
95.04961	2.7
95.08597	0.7
103.05446	3.3
105.07022	1.5
107.04938	1.2
107.08588	1.0
108.11708	0.7
109.02785	0.8
109.10120	1.3
115.05376	0.9
119.04927	1.2
119.08548	1.2
120.08121	1.0
121.06494	23.8
127.03943	0.8
137.05942	4.6
138.09142	3.5
143.04936	1.4
145.02794	1.0
145.10168	0.7
147.04416	1.3
147.11618	0.8
149.05977	2.7
158.03572	1.2
161.05969	1.5
163.03888	2.3
164.07050	3.0
165.09117	0.8
167.07066	1.8
173.06035	2.4
175.07533	1.7
177.05551	3.3
177.06905	1.3
181.04945	4.2
186.03130	2.6
194.07231	1.3
201.05461	8.0
205.06502	5.2
207.08066	1.7
217.06551	0.8
219.08099	1.5
220.05153	1.1
221.05966	1.7
222.06729	3.6
231.04453	2.6
233.05931	7.4
234.06734	3.5
235.07483	1.7
236.08453	0.9
237.09116	3.9
247.07587	1.4
248.04677	2.8
249.05406	3.5
250.06331	4.3
251.06857	1.5
259.03946	5.2
260.04486	0.9
261.05484	1.3
262.06277	6.3
263.06985	2.7
264.07782	3.3
265.05014	2.2
265.08588	8.5
266.09290	1.1
267.06448	1.3
276.04132	5.8
277.04712	1.7
278.05786	3.6
279.06561	11.1
280.07156	2.6
282.08884	1.4
283.09491	0.8
287.03333	7.4
288.04166	2.3
290.05591	3.8
291.06531	7.5
292.07294	8.8
293.04483	2.3
293.08051	8.6
297.11224	1.8
299.12952	1.9
304.03656	3.0
305.04333	0.9
307.06232	1.1
307.09601	15.9
308.06796	10.5
308.09964	1.3
310.08401	1.2
318.05408	1.0
319.05997	16.7
323.09122	25.5
324.09494	1.1
325.10675	41.0
326.10931	0.9
333.07367	1.0
336.06262	2.8
351.08606	100.0
352.08691	3.4
416.14719	3.3
430.17523	1.0
456.14990	1.1
462.19147	17.2
488.16916	9.3
502.19714	0.9
504.17841	2.0
535.06836	0.8
625.25043	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	625.2539
Annotation	(+-)-Grossamide
Peak:m/z	Relative Intensity
53.03939	1.1
55.01873	1.1
57.34937	0.2
62.70903	0.2
65.03922	0.3
70.91489	0.6
70.91824	0.2
71.04991	0.6
79.05478	0.3
81.03394	0.3
81.07052	0.3
91.04913	0.3
91.05473	6.1
93.07034	5.6
95.04958	2.0
100.98548	0.2
103.05459	4.8
105.04490	0.5
105.07004	0.3
107.04958	0.5
109.06559	0.3
115.05455	2.2
115.22984	0.2
117.07022	0.7
119.04935	2.7
121.06490	35.7
122.03612	0.5
122.06824	0.6
123.04423	0.8
131.04951	0.3
133.06482	0.5
134.03641	0.8
135.04370	1.1
137.05968	8.1
138.09122	4.9
143.04913	2.9
144.05640	0.3
145.02856	0.3
145.06448	1.1
146.06073	0.5
147.04405	1.4
149.05963	2.4
150.06723	1.3
151.03944	1.1
151.05055	0.2
152.07071	0.7
155.04878	0.3
158.03598	1.4
160.05145	0.4
161.05959	0.4
163.05489	0.3
164.07071	3.4
165.07051	0.7
166.07788	0.3
173.05963	3.5
174.06725	0.5
175.03885	1.9
175.07538	1.8
176.06253	0.6
177.05469	0.8
177.06987	2.1
178.07799	0.4
179.08595	0.4
181.06488	0.3
185.02318	0.3
186.03093	7.1
187.03827	0.3
188.04646	0.4
189.05476	0.4
189.07001	0.5
190.07724	0.4
191.04926	0.2
191.08559	0.5
193.06468	0.3
194.07213	2.5
195.08134	0.5
200.04730	0.4
201.05450	15.4
202.05972	0.3
202.07767	0.4
203.07016	1.4
203.08617	0.4
204.05711	1.1
205.06468	11.7
206.07240	1.2
207.06448	0.4
207.08109	0.9
208.05182	0.5
209.06023	0.5
209.09450	0.4
211.03911	0.4
211.07655	0.6
215.03348	0.6
217.06441	0.7
218.07204	0.6
219.04488	0.3
219.08051	2.4
220.05180	0.5
221.05962	3.0
221.09589	0.3
222.06729	6.5
223.07397	0.6
224.04649	0.3
226.06239	0.4
227.07014	1.1
232.05269	0.5
233.05962	12.8
234.06706	3.9
235.07555	2.0
236.04636	1.0
236.08281	0.8
237.05566	1.1
237.09084	9.0
238.06143	0.3
238.09499	0.4
239.06949	1.5
240.07845	0.4
246.06795	0.3
247.07507	2.9
248.04613	0.8
248.08264	1.0
249.05447	4.9
249.09123	0.3
250.06236	11.3
251.07010	2.5
252.07803	0.8
253.04913	0.3
253.08537	0.6
254.05780	0.6
254.09349	0.7
260.04709	0.3
261.05447	2.4
262.06189	0.8
263.07053	2.7
264.07791	6.8
265.05014	4.0
265.08603	19.0
266.06216	0.3
266.09183	1.7
267.06537	2.3
267.09741	0.4
272.12671	1.2
275.07080	1.2
276.04193	1.1
276.07538	0.3
277.04953	3.3
277.08331	0.4
278.05710	6.2
279.06467	1.6
279.10172	2.8
280.07300	2.2
281.07993	0.8
282.08868	2.2
283.09720	0.4
291.06528	1.9
292.07272	19.9
293.04492	4.7
293.08075	20.4
294.08612	1.1
295.06039	2.4
295.09653	0.6
297.11176	3.3
299.12778	2.4
304.03683	1.5
307.09607	32.4
308.06750	15.8
308.09845	1.1
309.07373	1.1
310.08401	2.9
319.05914	1.5
321.03879	0.4
323.09100	11.2
324.05914	0.3
324.09470	0.5
325.10669	100.0
326.11029	3.0
327.12286	0.6
336.06281	5.1
351.08597	56.7
352.08972	2.0
460.17374	0.3
462.19061	33.0
463.19394	1.3
488.16733	1.9
625.25391	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	625.2546
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.02370	0.6
53.03951	2.1
55.01854	0.4
65.03925	0.6
67.05486	0.5
69.03422	0.5
69.07040	0.4
70.06583	1.8
70.26811	0.3
70.91418	0.7
70.91778	0.6
72.08121	0.5
74.06680	0.3
75.15906	0.4
77.03895	0.6
79.05496	0.6
81.03400	1.1
81.07043	1.4
82.07390	0.4
83.06068	0.3
84.04492	0.6
84.08112	1.3
85.02860	0.4
86.09665	1.2
90.20915	0.4
90.76713	0.3
91.05476	12.0
93.07038	18.0
95.04391	0.4
95.04968	4.9
95.05549	0.4
95.08582	0.6
97.02809	0.3
102.04713	0.5
102.05597	0.3
103.05457	12.6
105.04495	1.5
105.07008	0.4
106.28574	0.3
107.04924	0.5
107.08636	0.4
109.06475	0.7
109.10148	0.5
110.07095	0.4
118.06457	0.4
119.04920	1.5
119.08594	0.6
119.92645	0.3
120.08123	0.6
121.06496	100.0
122.06815	1.5
125.05997	0.7
129.10205	0.5
130.04099	0.7
135.04407	0.7
137.05951	1.4
141.03366	2.6
145.02814	0.7
145.06487	1.1
146.05989	1.1
147.04332	0.7
149.05946	1.0
152.07022	0.4
163.03918	0.4
164.07056	6.8
165.07256	0.4
167.07005	0.5
173.05963	0.6
174.06746	0.5
177.05464	1.2
177.06898	0.4
181.04890	0.8
186.03085	0.9
189.06934	0.5
191.07042	5.6
191.08594	0.5
194.07237	1.0
201.05362	77.6
202.05716	2.0
205.06502	3.6
207.08128	0.4
209.07962	0.4
211.07465	1.2
219.08003	2.1
220.05156	4.1
221.05988	1.6
221.07983	0.6
222.06789	3.3
223.07430	0.6
233.06026	3.0
234.06731	3.4
235.07523	12.2
236.08034	1.1
237.05315	1.0
237.09103	12.5
239.07002	1.3
244.06058	2.1
247.07472	3.3
248.04633	4.2
248.07361	0.4
248.08299	0.5
249.05429	5.1
250.06232	5.5
251.06950	1.2
252.07773	1.0
263.04147	0.7
263.07019	17.1
264.07745	2.6
265.05051	3.1
265.08575	28.1
265.57776	0.4
266.09113	1.5
267.06491	2.2
276.04193	1.1
279.10114	1.2
280.07315	5.3
281.07892	0.7
282.08853	40.3
283.09216	1.2
291.06494	20.9
292.07120	1.0
293.04520	0.4
293.07700	0.9
295.09479	0.6
297.11209	18.2
298.11493	0.5
299.09085	0.6
307.09653	0.7
308.06772	4.3
308.09961	0.5
310.07507	0.5
312.06192	0.4
313.10623	2.3
323.09116	55.5
324.09393	1.7
325.10501	1.7
326.10999	1.3
327.08289	0.6
327.11713	0.7
340.11969	0.6
351.08511	2.2
352.08856	2.0
353.09253	1.0
364.11765	18.6
365.12051	0.7
368.11038	0.5
369.09741	0.6
380.94775	0.4
416.14688	0.6
460.17532	63.1
461.17874	2.8
462.18930	0.6
488.17007	87.1
489.17422	3.9
518.50128	0.4
625.24390	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	624.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21752	1.6
52.22013	1.8
53.03936	4.9
55.01869	3.4
55.05506	21.8
56.61596	1.3
57.03427	7.1
57.07079	9.2
59.04991	4.9
61.02901	1.7
64.02637	1.3
66.17065	1.5
67.05503	27.5
69.03431	15.0
69.07066	52.1
70.06588	16.3
70.07289	1.4
71.04980	7.1
71.08613	2.8
71.19093	4.1
72.08141	3.7
73.02918	1.9
76.11648	1.6
79.05489	19.3
81.03419	7.8
81.07053	89.2
83.04969	8.5
83.08620	14.1
84.04459	2.2
84.08129	3.9
84.64804	1.4
85.02901	19.7
85.06525	5.9
85.10140	1.6
86.09718	8.8
87.00826	5.9
87.04449	2.8
90.63039	1.8
91.05478	20.5
92.19984	1.4
93.07040	100.0
95.04962	18.2
95.08605	64.4
97.02869	6.5
97.06528	12.3
97.10155	7.1
99.04437	5.8
99.08082	6.5
103.05457	2.1
105.01868	8.9
105.04478	1.6
105.07037	19.9
107.04923	3.0
107.08589	34.4
109.02847	5.9
109.06514	17.3
109.10154	50.3
110.07118	2.6
111.08095	12.4
111.11703	6.2
117.07053	1.6
119.08574	18.4
120.08125	3.6
121.06499	7.5
121.10138	77.4
123.08061	6.8
123.11703	38.5
125.05977	2.4
125.09630	14.9
127.03925	12.9
127.11134	1.7
129.06995	1.5
129.10251	2.1
131.08514	7.8
133.10141	13.8
135.11678	17.9
136.07588	2.8
137.05965	6.1
137.09598	6.9
137.13260	12.9
139.11182	23.4
140.03926	1.7
145.04939	4.9
145.10114	7.2
147.04379	1.9
147.11687	13.0
149.09619	13.7
149.13261	15.3
151.07480	1.9
151.11197	9.6
153.12695	10.7
155.10649	5.2
157.10092	5.7
157.12276	2.6
159.02806	2.3
159.11703	8.1
161.09624	2.3
161.13245	8.3
163.11180	4.6
163.14793	4.0
164.06921	1.7
165.12741	3.6
167.07014	4.0
167.10667	33.8
167.14243	3.3
169.12207	3.3
173.13255	4.1
173.15353	2.3
175.11206	3.3
175.14854	6.3
177.05466	4.7
177.12828	3.0
177.16385	3.6
179.10620	3.8
181.05034	2.8
181.12173	3.5
185.11729	5.8
185.13185	2.6
187.14813	3.9
189.16418	4.6
193.12149	2.4
193.15886	4.3
201.05437	3.2
201.16371	3.9
203.17937	3.0
205.15837	2.2
206.38028	1.6
207.17439	4.4
213.16380	2.8
215.17899	1.8
227.17903	1.7
229.19579	4.5
233.05916	3.2
235.20535	6.2
241.06981	1.7
243.21011	2.5
245.22725	2.0
247.20602	1.9
261.22092	2.6
265.08435	2.5
269.22729	8.6
275.23804	4.7
277.25012	3.4
287.23633	23.5
293.24750	13.6
305.24722	73.7
306.25067	1.9
307.09659	2.2
311.25879	2.8
323.25793	86.5
324.26007	3.4
325.10675	10.3
333.54434	1.6
341.26773	2.3
351.08212	2.1
462.19000	5.3
467.86072	2.1
624.21655	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	625.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
52.23362	0.5
53.03932	1.6
55.01860	1.0
55.05503	0.7
57.03428	0.8
61.38508	0.5
70.06573	2.0
70.97948	1.4
71.04983	0.8
72.08145	0.8
77.55798	0.6
79.05487	1.2
81.07036	0.7
83.04955	0.6
85.02882	0.7
86.09696	1.6
90.94576	0.6
91.05475	6.3
93.07038	7.3
95.04980	3.1
95.08578	0.8
103.05468	5.4
105.06997	0.7
107.04996	1.2
107.08595	0.7
109.99931	0.6
115.05423	1.9
117.07023	1.3
119.04922	2.4
120.08112	0.8
121.06498	35.3
123.04430	0.7
125.06029	0.7
130.88675	0.5
133.10150	0.7
136.07567	0.6
137.05965	9.9
138.09161	4.5
143.04884	3.3
145.06540	1.2
147.04398	2.0
149.05965	1.9
150.06786	1.2
151.03908	0.7
152.07019	1.3
158.03587	1.1
161.05968	1.1
163.07326	0.6
164.07082	2.9
165.07001	0.8
167.07025	1.2
173.05920	4.1
174.06641	0.7
175.03880	2.6
175.07521	2.5
176.06226	0.7
177.05473	1.6
177.06987	1.9
179.08514	0.8
181.04924	1.4
186.03107	7.7
193.06604	0.6
194.07205	3.0
201.05444	15.6
203.07014	1.7
205.06482	12.3
206.07182	0.9
207.06497	0.8
207.08153	1.0
208.05281	0.7
209.09758	0.9
215.03456	0.7
219.08035	1.9
221.05949	3.8
222.06755	7.9
223.07428	0.9
227.07133	1.7
233.05983	12.4
234.06697	4.3
235.07486	1.5
236.04698	1.2
237.05490	1.1
237.09093	9.4
238.06305	0.7
239.07079	1.7
247.07506	3.3
248.04639	0.9
248.08339	0.8
249.05467	5.4
249.09084	0.8
250.06232	11.5
251.06946	3.5
252.07803	1.2
254.09164	0.7
261.05423	1.7
262.06238	1.4
263.06985	2.5
264.07687	5.9
265.05035	3.3
265.08600	20.4
266.09100	2.2
267.06546	3.0
271.11023	0.5
272.12738	0.9
275.06802	0.8
276.04248	1.4
277.04874	3.4
278.05731	6.5
279.06812	2.8
279.10220	2.6
280.07257	2.6
282.05814	0.7
282.08740	2.7
285.12204	1.1
287.03391	0.7
291.06522	3.3
292.07269	20.4
293.04477	6.2
293.08054	23.8
294.05051	0.7
294.08569	1.5
295.06213	2.7
295.09399	0.9
297.11169	3.9
299.12845	1.0
304.03650	1.6
307.09622	36.5
308.06790	19.3
308.09979	1.2
309.07486	0.9
310.08362	3.8
311.08646	0.6
319.05966	3.2
319.09256	0.7
323.09116	12.0
325.10678	100.0
326.10962	2.2
336.06216	4.9
337.11935	0.8
343.16830	0.7
351.08621	46.4
352.08823	1.3
414.14362	0.8
416.14661	1.5
429.16794	1.7
430.17719	2.8
442.17596	1.2
460.17557	0.8
462.19080	41.3
463.19473	1.3
470.17062	0.7
488.17096	2.7
502.19897	1.3
593.23511	0.8
625.25415	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	623.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01867	4.7
55.05509	19.3
57.03421	8.6
58.17021	2.1
58.86827	2.1
61.02927	27.8
67.05181	3.9
67.05506	40.6
69.03411	8.1
69.07069	16.5
69.94593	5.7
69.95005	9.4
70.06599	5.7
71.04984	5.9
73.02900	7.6
77.91102	2.6
79.05079	2.6
79.05496	34.8
81.03393	8.8
81.07059	43.7
83.04977	5.7
83.08617	12.9
84.04491	4.0
85.02907	20.4
85.06519	3.7
91.03968	12.8
91.05480	49.7
93.07045	35.1
95.04951	7.9
95.08608	22.9
97.02884	17.5
97.06541	5.9
97.10142	5.1
98.21539	2.3
100.44120	2.4
105.07036	39.9
106.07308	2.3
107.04929	6.6
107.08587	15.8
109.02882	3.7
109.06500	6.4
109.10148	11.7
111.08086	4.9
115.05484	4.5
115.14646	2.2
117.06258	2.4
117.07024	29.9
117.69167	2.3
119.04929	3.5
119.08578	23.7
121.06470	7.3
121.10104	10.1
123.08082	5.5
125.09612	4.5
127.03878	6.1
128.06232	5.4
129.07005	33.7
131.08562	38.6
133.06462	6.0
133.10153	15.6
135.08072	5.0
135.11685	5.5
137.09593	4.2
141.07013	13.7
141.82051	2.2
143.08546	28.2
143.17996	2.5
145.06485	9.1
145.10098	19.9
147.08028	9.0
147.11642	7.9
149.09647	4.2
155.08548	27.5
157.06490	3.2
157.10114	19.2
159.08058	6.4
159.11685	10.4
161.09550	3.6
165.07025	4.6
166.07755	3.2
167.08565	11.6
169.10114	18.2
171.08034	3.4
171.11725	12.4
173.09586	2.6
173.13217	4.3
175.11237	3.6
177.12709	3.9
179.08504	4.1
181.10164	12.3
183.08029	2.7
183.11716	10.9
185.09685	2.1
185.13278	6.5
187.11162	4.0
187.14783	2.7
193.10201	4.0
194.10956	2.5
195.11694	10.9
197.13239	7.0
199.14905	3.8
203.14319	4.9
205.10121	2.5
207.11693	5.1
209.13246	7.6
211.11234	3.0
211.14893	5.2
213.12689	5.5
215.14282	9.3
221.13258	8.0
223.14827	7.1
227.14325	3.0
235.14838	5.8
239.10837	2.7
239.14278	7.6
239.52113	2.5
245.15471	2.6
251.95180	2.5
253.15898	6.3
257.15314	5.1
259.16895	4.0
271.17007	6.7
315.21146	4.3
323.23654	7.3
333.22177	13.4
341.24722	8.4
351.23221	39.8
352.23026	2.9
360.81308	2.8
369.20026	3.6
369.24280	36.3
387.25302	17.7
425.26859	8.7
443.21945	5.3
443.27939	100.0
455.58813	3.0
461.29028	70.1
490.96338	2.5
623.34088	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	625.2545
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
53.03932	3.5
54.92863	1.2
55.05489	1.4
64.64967	1.4
65.03927	2.1
67.05494	3.4
69.07052	1.2
70.06567	2.7
71.51434	1.6
79.05503	2.1
81.03409	2.1
81.07057	2.8
84.08118	2.2
84.17937	1.1
85.02872	1.5
89.03902	2.1
91.05481	24.9
92.91866	1.1
93.07050	16.1
95.04985	8.6
95.08600	1.8
99.54788	1.2
99.75445	1.2
103.05464	18.5
105.03362	1.5
105.04523	2.2
105.06993	2.1
107.04942	3.4
109.06532	1.2
109.10157	1.8
117.03371	4.0
119.04940	13.5
120.05722	4.7
121.06504	89.3
122.06854	2.5
129.07092	1.4
131.04893	2.4
133.02867	12.9
134.06039	2.1
135.04396	5.3
136.05286	1.2
136.06244	5.8
136.07553	10.9
137.05945	21.7
138.09120	4.8
145.02835	9.3
145.06390	1.1
147.04425	11.2
149.05986	15.9
150.03093	1.3
150.06789	7.8
150.07870	1.7
151.03868	1.8
152.07066	2.7
159.04443	3.4
161.05931	6.7
162.02905	1.1
162.05396	1.5
163.03854	2.3
164.04663	2.4
164.07088	7.2
165.05490	1.4
173.06003	1.7
174.03043	1.4
175.03888	17.9
175.07486	1.9
176.18773	1.1
177.05501	21.5
186.03337	1.3
187.03903	8.0
191.03407	2.1
201.05472	13.7
205.04929	2.3
233.05870	1.8
235.07578	2.3
237.05446	2.5
237.09099	1.9
249.05449	5.0
250.06163	1.7
263.06946	5.6
265.04962	16.3
265.08456	3.4
272.12854	4.8
280.07217	1.6
281.08017	2.9
282.07642	1.9
291.06497	3.2
293.04520	18.6
293.07755	1.9
295.09616	3.0
308.06784	100.0
309.07242	3.0
312.12241	3.5
312.99387	1.1
319.06009	4.2
323.09058	3.9
325.10666	19.5
336.05975	1.9
351.08636	65.5
352.09058	2.6
445.15186	2.7
460.17657	3.4
462.19098	17.7
463.19678	1.8
466.97919	1.3
488.17065	90.6
489.17349	4.5
625.25146	21.7
625.34174	2.4
626.24347	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	622.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98465	1.2
55.01870	18.4
58.04586	1.1
61.02937	1.6
64.83759	1.2
69.03410	2.8
70.93490	3.6
74.00671	2.4
76.04025	1.3
78.06041	1.2
81.03431	2.5
83.06102	4.6
84.04506	27.0
85.02902	7.1
112.03977	21.1
123.04453	1.4
127.02150	6.8
129.06580	9.8
130.04996	100.0
131.05037	1.4
146.06017	3.2
147.02631	16.3
149.00516	2.3
149.06111	1.3
151.03938	2.4
152.04684	4.3
155.01601	23.1
165.00349	1.2
165.03770	1.7
167.01620	7.8
168.02376	2.7
175.02129	18.4
185.02660	16.0
188.07053	5.0
189.07471	2.3
193.03177	90.4
205.09627	2.5
211.04211	15.8
221.02661	1.3
228.06880	5.4
231.01620	1.3
238.05182	1.7
254.80592	1.6
296.05792	17.4
314.06876	24.6
314.10315	1.9
331.09564	82.7
385.10605	15.4
460.13831	46.9
493.03073	1.6
493.14737	1.5
622.18921	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	622.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35041	0.2
53.03942	0.5
55.01873	0.3
55.05500	0.2
57.03430	0.3
61.02919	0.3
63.02376	0.3
68.99805	0.2
69.03436	1.6
69.07072	0.2
70.06588	1.9
70.80472	0.4
71.04980	0.2
72.08147	0.9
73.02914	0.3
75.79638	0.1
78.04708	0.3
81.03419	2.0
82.06589	0.2
84.04498	0.7
84.08154	1.0
85.02902	3.6
86.09701	1.9
87.00838	1.0
89.03909	4.5
91.05472	0.5
93.07051	0.3
95.04971	0.2
97.02889	1.5
99.04447	0.5
102.05515	0.3
103.05460	0.5
105.01879	1.1
107.04952	0.4
109.02896	1.8
110.07150	0.5
117.03374	14.8
119.04951	0.3
120.08099	1.2
121.06490	0.6
124.05183	0.3
125.06024	0.3
127.03907	2.8
129.10257	0.7
130.05000	0.2
131.04918	0.3
134.03593	0.9
135.04398	1.1
136.07558	0.5
137.05948	0.4
145.02838	41.7
146.03224	0.5
147.02933	0.2
147.04395	0.5
149.05972	5.5
156.07869	0.2
158.06090	0.4
159.02939	0.9
160.05107	0.3
161.05975	0.2
162.03136	2.0
163.03896	0.8
173.05913	0.2
175.03903	0.2
177.05458	100.0
178.05811	1.8
181.08553	1.5
186.05472	1.3
198.11237	0.6
201.05478	0.4
202.05772	0.2
207.06482	0.4
219.06511	0.3
224.09154	0.5
231.04990	0.8
261.16049	0.2
292.57822	0.2
374.15955	12.2
442.47574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.6
52.05444	0.6
53.03926	1.3
55.01859	0.8
55.05479	0.8
65.03928	1.1
67.05476	1.0
67.28408	0.6
69.03384	0.7
69.07038	0.7
69.78637	0.6
70.06596	3.4
71.11432	0.8
71.11758	1.1
72.08159	0.9
79.05449	1.5
81.03379	0.8
81.07033	1.4
84.08096	1.2
85.02894	1.0
86.09686	3.1
89.03901	1.6
91.05479	14.7
93.07037	7.2
94.04151	0.8
95.04977	3.6
103.05473	8.2
105.07001	1.4
107.04960	5.8
108.27919	0.6
109.06463	0.8
109.10150	0.7
110.07172	1.1
115.05469	0.7
116.04917	0.8
117.03354	2.8
119.04240	0.7
119.04948	8.5
119.08559	1.2
120.05727	17.5
120.08055	1.6
121.02858	2.0
121.06505	35.1
121.10163	0.6
131.04880	2.0
133.02841	3.0
133.06482	1.0
134.06017	7.5
135.04407	2.9
135.06764	2.2
136.07576	4.7
137.05974	17.8
144.04440	0.8
144.99367	0.7
145.02847	8.1
145.06474	1.0
146.05997	0.9
147.04408	9.2
149.05968	3.8
150.06688	0.9
151.03894	1.4
151.07489	0.6
159.04384	2.7
159.11617	0.7
161.02354	0.8
161.05936	4.5
162.05515	3.9
163.03891	1.0
164.04730	3.5
165.05653	0.8
165.07056	1.0
168.04037	0.9
175.03908	9.4
176.04640	1.9
176.07030	0.8
177.05481	18.0
179.06999	0.7
179.08478	0.8
181.06398	0.8
186.03236	0.7
187.03857	6.9
193.04935	1.6
194.07271	0.7
201.05458	3.4
205.04897	2.2
205.06572	1.0
207.08098	2.4
211.07585	0.8
220.05095	1.4
221.04274	1.4
221.06149	1.2
222.06732	1.2
223.07536	1.2
224.08252	0.8
233.05991	1.0
234.06647	1.1
235.07529	4.1
237.05452	2.8
238.06354	1.1
239.06944	1.4
239.10721	0.8
242.08086	0.7
248.04575	1.0
249.05428	2.5
249.09129	1.2
250.06296	1.1
251.06889	0.9
252.07727	1.5
253.08589	2.4
254.09526	1.4
257.15875	0.7
263.07019	5.3
264.07962	0.9
265.04977	9.4
265.07977	0.9
266.05527	0.7
267.06323	0.6
267.10114	2.1
270.11273	1.2
276.04153	1.1
277.04791	1.0
279.06491	2.5
280.07227	3.7
281.08005	6.9
282.07693	6.7
282.10727	1.0
291.06479	2.9
292.07327	1.0
293.04431	10.9
293.07724	1.3
295.09436	2.0
298.14157	1.0
307.06042	1.0
308.06781	74.2
309.07394	4.2
310.07144	4.7
310.10699	3.3
311.11502	2.2
312.12299	4.9
314.13864	0.9
319.05936	2.6
323.09161	10.1
323.83124	0.6
324.12265	1.4
325.09457	12.9
333.07492	1.0
336.06287	2.8
337.06769	0.9
338.13892	1.1
342.13455	1.0
351.08624	100.0
352.08914	3.2
368.11328	1.9
375.14325	2.2
379.16473	0.8
396.13895	0.7
445.15543	2.9
445.20746	0.7
462.19186	3.2
486.15393	2.6
488.17041	96.0
489.17444	3.2
513.38959	0.7
541.92389	0.8
623.23706	8.3
623.32971	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	623.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67842	0.8
51.87922	0.8
53.03956	1.3
55.01861	1.5
55.05498	1.6
56.05029	0.9
65.03923	1.7
66.34772	0.8
67.05504	1.6
69.07066	1.1
70.06596	7.2
71.04971	1.3
71.57993	1.4
72.08137	2.4
79.05482	2.2
81.07043	2.6
84.04498	2.4
84.08131	2.6
85.02888	1.3
86.09705	7.8
91.05477	7.9
93.07044	5.7
95.04948	3.9
95.08617	1.1
97.02888	1.3
99.31166	0.9
101.07140	2.0
103.05465	4.6
105.04512	1.1
105.07025	2.1
107.04951	10.1
107.08566	1.6
109.10184	1.4
115.05483	1.4
119.04933	3.9
120.08118	2.5
121.02863	3.2
121.06497	27.6
121.10140	1.6
123.04389	1.1
127.03894	1.2
129.10220	2.9
133.06494	3.4
134.05965	1.3
135.04390	1.0
136.07590	6.3
137.05983	9.2
138.09138	2.6
143.04901	1.3
145.06491	7.6
145.10155	1.2
146.05995	1.3
147.04411	4.2
149.05974	3.3
150.06816	1.2
151.03920	2.2
158.03644	1.0
161.05945	1.1
162.05460	2.4
164.07082	2.0
173.06021	2.2
175.03891	2.8
176.07074	1.7
177.05527	1.0
179.06975	1.2
179.08487	1.4
181.04976	0.9
186.03113	7.8
187.03200	0.9
187.14369	3.9
188.07033	1.3
193.08664	2.3
194.07266	1.8
201.05431	17.5
203.06993	1.5
205.06465	11.6
207.06544	2.8
207.08234	1.6
209.05930	1.4
211.07582	1.3
215.03377	1.3
215.14078	1.0
218.07294	0.9
219.08060	1.5
220.05122	1.1
221.05994	3.6
222.06726	6.6
227.07083	1.2
233.05983	11.3
234.06763	3.9
235.07584	3.7
237.05447	2.1
237.09134	7.2
238.06256	2.8
238.08485	1.1
239.07063	2.2
243.10246	2.0
247.07538	3.9
248.04630	2.8
249.05511	5.7
249.09225	1.2
250.06288	9.0
251.06912	3.1
252.07788	1.9
253.08609	4.2
254.09573	1.0
255.09097	1.0
261.05417	2.9
262.06146	1.2
263.07007	3.5
264.07748	6.1
265.05243	7.7
265.08545	14.6
266.09265	1.1
267.06558	2.1
270.11206	9.5
275.06830	1.2
276.04172	2.6
277.04889	3.0
277.08090	1.0
278.05655	5.1
279.06485	2.0
279.10162	3.0
280.07169	4.9
280.85062	1.0
282.08817	3.1
291.06375	4.6
292.07245	20.0
293.04419	8.3
293.08060	15.7
295.06226	1.8
295.09723	2.8
296.10361	1.2
297.11334	2.1
299.09183	1.4
304.03583	2.4
307.06284	1.3
307.09619	28.2
308.06802	35.2
308.10361	2.1
309.07446	1.5
309.74844	0.9
310.08350	3.4
317.08093	1.1
319.05893	2.8
320.06543	2.2
323.09131	24.7
325.10684	63.5
326.10873	1.6
335.09216	6.1
336.06213	8.0
337.09686	2.0
349.10678	1.4
351.08621	100.0
352.08878	0.9
352.11920	9.4
362.10208	7.2
364.11887	2.7
373.92505	1.1
379.10345	3.3
380.11331	18.7
392.11148	3.1
441.13257	1.9
454.38483	1.2
458.15854	3.0
460.17355	8.1
462.19189	10.3
469.12308	2.0
486.15466	38.9
488.17108	1.3
623.23322	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.26717	0.2
71.50659	0.4
83.04975	0.2
181.69614	0.2
209.10715	0.3
297.71301	0.3
324.14755	0.3
373.14493	0.3
374.15952	0.3
375.16071	0.5
376.17035	0.4
387.16473	0.6
388.16980	0.7
389.17526	2.3
390.18481	0.9
391.19345	0.7
401.17810	0.6
402.18536	1.0
403.15436	0.4
403.19412	3.6
404.20157	1.8
405.20749	1.9
415.14908	0.4
415.19730	0.3
416.16284	1.1
417.17026	2.8
417.21036	2.3
418.17093	0.4
418.21539	0.9
419.22327	6.8
420.22833	0.6
430.17847	0.9
431.17920	5.4
432.18948	2.4
433.20007	2.0
444.19684	0.5
445.20032	4.8
446.20901	5.2
447.21814	7.4
448.22543	0.4
458.21304	0.3
459.21820	1.6
460.22974	0.6
461.19635	1.2
462.19089	0.3
473.19629	0.9
473.23755	0.8
474.20297	5.3
475.21185	6.4
477.22812	0.3
478.23511	0.6
487.21298	2.8
488.21967	0.8
491.20944	1.0
492.24786	0.3
501.22809	1.7
502.23294	0.4
504.21313	0.3
505.25827	1.1
518.23383	0.5
519.19769	0.5
529.22144	0.6
533.25507	12.2
534.25940	0.7
546.22186	0.7
561.24945	18.7
562.25391	0.9
589.24323	0.8
593.27588	3.8
621.27020	100.0
622.27362	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	619.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
54.92540	4.1
55.05505	72.1
57.07065	18.2
59.04978	5.7
65.03922	7.5
67.05495	41.4
68.07758	3.9
69.03425	11.2
69.07064	19.1
71.04980	12.6
71.12934	5.3
71.13251	6.7
72.47737	4.2
77.03853	4.2
79.05488	35.6
81.07047	70.0
83.04987	21.9
83.08614	87.5
85.06525	10.8
87.04454	12.7
91.05483	40.3
93.07035	86.3
95.04958	23.3
95.08610	54.4
97.06518	30.4
99.04450	11.3
105.07027	100.0
107.04966	5.6
107.08588	76.4
108.08882	5.0
109.06509	18.2
109.10151	43.3
111.08065	5.5
111.76493	4.4
113.09618	12.6
117.06998	17.5
119.04942	4.7
119.08572	92.0
120.08919	6.7
121.06499	6.9
121.10139	58.2
123.08080	28.6
123.11660	7.4
124.44279	4.2
125.05949	5.2
125.09634	25.5
128.06184	7.9
129.06984	21.6
130.07770	9.7
131.08560	35.4
133.10121	70.7
135.08015	11.6
135.11671	18.8
137.09633	8.3
139.11176	19.5
142.07748	18.7
143.08549	33.8
144.09328	10.7
145.10112	81.3
146.10526	9.7
147.08057	16.0
147.11661	32.6
149.09576	21.4
151.07486	10.7
153.09010	6.1
155.08511	11.0
155.10628	20.8
156.09300	15.9
157.10114	42.1
158.10786	8.0
159.11700	40.3
161.09608	9.1
161.13258	13.3
163.11153	17.4
165.06914	7.9
165.09091	18.2
165.12756	6.4
167.08585	6.7
167.10759	9.0
167.14250	5.0
169.10112	23.8
170.10762	9.1
171.11673	33.6
172.12315	5.9
173.09354	4.1
173.13261	17.3
175.11230	5.6
175.14807	12.6
179.08514	14.0
179.14319	8.6
181.10149	13.6
181.12192	38.6
183.11729	25.1
185.13217	17.1
186.13802	5.8
187.14862	5.4
189.12749	7.3
191.14371	6.6
193.10161	8.3
193.12123	6.6
195.11707	15.4
195.13751	6.6
196.12401	4.7
197.13257	20.6
199.14816	29.5
201.16360	7.5
203.14342	14.2
207.11705	8.7
207.13737	9.6
209.13220	24.6
209.15117	7.2
211.14844	17.8
213.16443	7.4
221.13268	5.3
221.15312	69.4
222.15741	11.1
223.14719	15.2
225.14560	23.1
233.13257	9.2
233.15372	22.7
235.14728	10.7
235.16803	8.5
247.16991	7.8
249.16292	6.5
265.19556	5.6
267.95892	4.6
283.20660	8.0
285.18472	6.6
286.19421	5.6
287.19931	12.3
288.20407	5.6
300.20654	8.6
301.21765	7.7
353.24255	10.0
366.25177	5.2
367.26031	10.3
368.26846	5.7
393.27582	5.1
458.47351	4.7
491.35397	8.4
526.36896	5.6
539.36780	27.1
565.40265	4.9
583.40881	10.9
601.42194	8.1
619.43585	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	618.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.8
56.05002	0.6
57.03389	1.5
61.02928	9.2
67.05466	0.5
69.03421	3.2
70.06583	6.3
71.01322	0.5
71.57510	0.5
72.04447	0.5
72.08147	4.4
73.02912	5.5
74.06029	0.5
79.05477	0.6
81.03360	1.2
81.07011	0.7
84.04510	3.4
84.08143	3.2
85.02895	7.1
86.09703	5.9
87.05546	0.7
91.03954	5.0
91.05427	1.2
95.08547	0.8
97.02891	5.9
99.04376	0.6
101.02322	1.3
102.05468	1.7
104.05293	0.8
107.04943	0.7
109.02833	0.7
110.07124	0.9
115.03860	0.8
115.08672	0.6
116.07002	0.8
119.04871	0.9
120.08039	1.0
123.04360	0.5
127.03883	1.4
129.10234	2.2
130.06447	0.4
131.04861	1.3
133.06462	0.5
135.04300	0.5
136.07472	0.5
137.05954	4.3
143.04893	0.6
143.11757	0.6
145.02795	0.5
145.06418	1.0
146.05818	0.4
147.04337	1.3
149.04840	0.5
149.05942	2.5
152.07007	1.5
157.09827	0.5
160.05074	0.4
160.07562	0.4
161.05981	1.9
162.05496	3.0
163.07497	0.8
164.07057	13.3
172.07524	0.5
173.05981	3.3
173.09196	0.6
175.07468	1.7
176.07050	2.1
177.05363	0.7
177.07840	24.4
178.05742	0.5
178.08623	2.2
187.07454	0.6
189.09001	0.5
190.08609	2.4
191.09332	1.1
197.09477	0.4
199.07422	0.7
201.08919	0.8
201.12273	0.7
202.08624	0.8
204.10176	0.6
213.08954	0.6
215.13762	0.4
220.44539	0.4
243.13345	0.8
256.16870	0.5
257.15274	0.5
274.18005	14.1
284.16556	0.5
302.17484	19.2
320.18536	24.4
321.18890	0.7
346.20117	0.9
358.20227	0.5
376.21133	4.5
394.22217	100.0
395.22778	3.4
420.23758	0.5
436.23129	0.6
438.24835	17.7
556.27527	44.7
557.28088	2.0
582.28821	1.1
600.30090	68.5
601.30396	3.5
618.30988	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	619.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	51.0
57.03429	5.6
57.07065	22.6
65.09879	5.1
65.63006	4.8
67.05494	31.2
69.03430	6.4
69.07048	16.4
71.04972	7.1
71.53181	7.3
79.05489	34.1
79.47428	5.5
81.07051	67.2
83.04963	15.5
83.08614	81.6
83.65878	5.5
85.06541	11.5
91.05486	48.7
93.07046	71.6
94.07359	6.4
95.04974	28.2
95.08619	38.8
97.06532	35.5
97.42670	5.6
105.07029	100.0
106.07308	5.4
107.04918	9.1
107.08582	60.8
109.06491	20.3
109.10162	31.9
111.08071	9.1
113.05975	9.6
113.09631	12.7
117.07009	19.8
119.08570	83.7
121.06474	9.5
121.10144	58.8
123.08060	39.6
123.11681	7.2
125.06005	7.5
125.09649	7.3
128.06252	7.9
129.06969	16.2
131.08569	41.3
133.10120	64.1
135.08107	10.2
135.11691	21.2
137.09650	6.8
139.11189	13.6
141.06976	9.1
142.07730	15.9
143.08577	36.9
144.09305	9.2
145.10112	61.4
146.10495	7.0
147.08060	20.5
147.11679	27.6
149.09637	15.5
151.07547	8.4
155.08574	9.6
155.10655	22.9
156.09361	13.5
157.10112	53.6
158.10876	11.1
159.11696	38.9
160.08830	7.4
161.09576	12.6
161.13260	7.0
163.11176	14.4
165.09142	28.8
167.08559	5.9
167.10623	8.1
169.10115	26.8
170.10867	9.5
171.10336	7.3
171.11623	31.3
172.12123	8.3
173.13184	17.0
175.11191	7.4
175.14821	9.5
179.08531	7.2
179.10643	6.4
179.14218	7.4
180.09258	6.0
181.10155	8.7
181.12199	35.1
182.10663	8.9
183.11636	23.4
185.13261	19.3
187.14857	9.1
189.12775	8.4
191.14299	10.2
193.10162	7.3
194.10829	6.2
195.11664	11.0
197.13185	17.1
199.14746	24.2
201.16393	10.3
203.14294	9.7
207.11752	8.8
207.13669	11.0
209.13225	14.6
209.15137	7.2
211.14803	10.4
213.12854	5.4
221.13373	8.1
221.15338	69.3
222.15663	12.9
223.14761	13.5
225.14595	26.9
225.16663	6.7
233.15349	22.5
234.15939	9.1
235.14662	6.7
238.17183	6.0
247.17004	11.1
269.19034	5.3
283.20648	12.4
287.20032	21.8
288.20340	14.0
301.21594	13.4
316.31818	6.5
352.23468	11.3
353.24466	26.1
521.35004	8.4
526.36017	7.0
538.36346	8.7
539.36890	56.9
583.41180	7.3
601.42444	14.3
619.43713	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43950	1.7
53.03940	4.2
55.05505	16.0
57.07083	9.8
59.05000	15.2
60.11635	1.6
65.03931	3.1
67.05496	23.5
69.03416	8.0
69.07056	10.2
70.09859	6.5
71.05010	2.2
73.06537	7.5
77.03927	1.9
79.05490	21.0
81.03391	1.9
81.07048	31.9
83.04981	5.4
83.08611	5.1
85.06535	20.7
90.49588	2.1
91.05472	42.9
93.07038	59.3
95.04964	14.3
95.08600	41.0
97.06541	2.1
97.10200	2.5
99.04462	2.4
99.08055	4.4
99.21564	2.0
103.05455	2.8
105.07019	57.7
105.89622	1.7
107.08587	43.1
108.05724	3.3
109.06542	9.1
109.10139	19.4
110.10447	1.8
111.08067	10.4
115.05433	2.8
117.07019	15.6
119.08575	77.1
121.06519	7.8
121.10138	35.3
123.08059	42.5
123.11707	5.1
125.06005	3.8
125.09598	13.3
128.06213	6.5
129.06972	11.1
130.07800	4.7
131.08551	29.7
133.06465	3.2
133.10120	53.7
135.08083	12.8
135.11684	20.7
137.06041	2.6
137.09619	9.8
139.07503	2.7
139.11136	2.3
141.06953	3.0
142.07758	11.1
143.08557	19.6
144.09364	5.9
145.10121	33.4
146.52086	2.1
147.08023	19.1
147.11697	20.0
149.09651	11.3
149.13274	4.7
151.07541	54.6
151.11188	12.3
153.09032	2.2
155.08554	7.3
156.09344	6.4
157.10126	26.0
158.10829	4.0
159.08136	3.4
159.11696	24.2
161.09634	12.7
161.13264	9.4
161.38614	2.1
163.11166	12.2
165.09106	29.9
167.08572	3.9
168.09369	4.2
169.10132	12.1
170.10916	3.9
171.11636	16.1
172.08878	2.1
173.09651	4.3
173.13231	18.5
174.10423	2.3
175.11224	6.9
175.14809	22.0
177.09166	2.2
177.12787	3.6
179.08580	6.4
179.10611	2.1
180.09427	2.6
181.10094	8.5
181.12257	8.0
182.10890	5.4
183.11711	13.8
183.13560	1.8
185.09563	3.4
185.13281	8.3
187.11227	4.5
187.14787	8.9
189.12752	15.0
190.04649	1.7
191.14319	7.2
193.08591	1.9
193.10193	5.3
193.12192	4.0
193.15785	2.5
194.10991	2.8
195.11719	10.6
195.13713	3.2
196.12375	1.9
197.13240	11.4
199.11214	4.6
199.14825	5.1
201.12827	2.9
201.16357	3.9
203.14294	12.4
205.10220	2.4
205.15967	2.3
207.11703	5.5
207.13811	23.2
208.12531	3.8
209.13280	10.7
209.15126	2.8
211.13290	12.0
211.14951	4.8
213.12825	1.8
213.16461	2.9
215.14265	3.0
217.10190	2.6
217.15907	2.2
219.11789	3.3
221.13313	6.5
221.15332	89.9
223.14799	4.7
223.16956	12.5
225.12729	3.2
225.16466	5.0
227.14322	2.6
233.13275	2.9
235.14809	7.8
237.16367	4.8
247.14757	3.6
247.17068	3.0
249.16205	2.6
249.18643	2.7
251.16383	5.2
261.16388	2.7
263.17831	2.0
265.19476	2.7
279.21152	2.2
281.18872	2.6
283.20615	4.2
285.22244	2.4
286.19138	3.3
287.20142	3.9
297.21988	3.5
299.19925	9.3
315.22757	2.1
331.22989	2.0
375.26837	7.4
403.29797	2.3
407.29401	2.8
435.32764	2.4
491.35138	13.1
494.67926	1.9
565.39905	5.2
583.41260	30.4
597.43231	12.5
615.44043	100.0
616.44452	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	618.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.01863	6.5
55.05511	47.6
57.07064	5.6
59.04989	6.4
67.05502	27.9
69.03427	10.2
69.07053	19.9
70.35869	12.8
70.36275	10.4
71.04987	5.0
75.73444	4.4
79.05491	30.4
81.07043	49.9
83.04969	21.3
83.08611	58.1
84.94547	4.8
85.06535	10.1
86.09691	11.3
87.04482	6.3
90.33138	4.9
91.05466	49.9
93.07040	61.4
93.81937	4.3
95.04964	27.4
95.08598	40.8
97.06540	25.0
97.10175	5.9
99.04448	8.8
103.05472	7.2
104.10739	83.4
105.07039	100.0
107.08578	64.1
109.06506	15.6
109.10181	25.7
113.09630	12.7
117.07018	27.7
119.08583	89.4
121.06490	7.9
121.10139	58.7
123.08044	22.2
123.11687	7.6
123.77183	5.2
125.09604	17.5
128.06209	11.9
129.06993	23.5
130.07791	14.0
131.08583	51.0
132.09380	4.9
133.06485	5.8
133.10115	50.6
135.08031	8.1
135.11679	8.6
137.09631	8.0
139.11157	18.7
141.06932	7.2
142.07774	24.0
143.08578	50.1
144.09290	11.3
145.06425	5.5
145.10094	66.0
147.08009	14.6
147.11678	16.4
149.09608	16.2
155.08585	18.6
155.10703	17.3
156.09296	21.6
157.10124	60.2
158.10863	6.9
159.00378	5.0
159.08072	13.9
159.11658	32.7
160.08818	12.2
161.09576	22.0
163.11140	8.7
165.07005	6.7
165.09055	5.7
166.07762	6.4
167.08568	11.7
167.10654	18.0
168.09352	6.3
169.10138	33.0
170.10838	8.9
171.11653	38.0
173.09615	11.4
173.13239	14.0
175.11279	12.6
179.08543	14.9
179.14317	7.5
180.09265	6.0
181.10126	16.7
181.12248	24.2
182.10884	18.1
183.11681	27.8
184.12193	5.7
185.13248	20.4
186.13928	7.0
187.14771	8.2
189.12820	10.2
191.14255	12.4
192.09320	6.1
193.10098	16.5
194.10832	14.2
195.11726	25.7
196.12410	10.0
197.13266	29.7
198.96764	15.2
199.11107	5.2
199.14870	15.6
206.10809	5.4
207.11620	17.6
207.13654	6.0
208.12440	10.1
209.13373	26.5
209.15079	7.8
211.14758	16.0
213.12646	6.2
213.16292	7.6
215.14323	17.8
216.97987	5.8
220.12468	6.4
221.13205	13.4
221.15376	21.5
223.14778	16.8
225.12801	5.9
225.14786	15.0
225.16594	10.0
227.17964	5.2
232.12511	7.4
233.13266	10.5
233.15372	47.2
235.14835	15.4
237.16408	13.0
241.15845	6.4
245.13206	6.2
246.16096	5.9
247.14798	13.1
247.17091	11.6
249.16377	15.6
251.17914	6.8
255.17444	33.2
261.16385	9.4
263.17868	5.6
275.17767	6.0
281.19031	10.0
289.19348	7.6
299.20193	10.4
304.52509	5.7
310.27142	5.2
337.20404	9.8
337.25357	9.4
347.23685	11.7
383.25867	11.3
502.26141	9.7
558.28656	11.3
618.42407	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	617.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76643	0.6
53.73460	0.6
55.05503	1.8
56.96564	26.7
57.07077	0.6
67.05502	1.4
69.07069	1.1
69.44548	2.9
69.44968	2.5
71.95260	1.3
74.97621	1.2
78.23304	0.6
79.05504	2.3
81.03426	0.7
81.07060	2.1
83.08598	1.2
84.96025	17.9
88.88456	0.7
91.05509	1.8
93.07041	2.3
95.08617	2.1
98.97591	11.9
98.98466	2.2
102.76363	0.6
102.97077	2.9
105.07017	3.0
107.08610	1.5
109.06493	0.7
109.10152	1.5
110.97563	0.8
116.98615	9.8
119.08588	2.7
120.98074	1.3
121.10163	1.6
123.08063	2.3
124.99116	1.3
128.06233	0.6
128.98586	3.0
131.00171	2.0
131.08586	2.1
133.10155	1.7
134.99669	5.0
135.08081	1.4
135.11681	0.8
138.99171	0.6
140.00241	1.0
140.98604	1.7
142.07852	0.8
143.00137	8.4
143.08551	1.3
144.98087	3.6
145.10150	1.5
146.99646	6.0
147.08063	1.4
147.11699	1.2
149.01181	4.5
151.07587	0.9
155.00180	1.9
157.01689	1.4
157.10121	1.5
158.01241	0.8
158.99673	3.9
159.08029	0.7
159.11699	1.3
161.01216	18.6
162.99133	6.8
163.11217	0.7
165.00713	1.4
165.09071	1.0
166.01726	0.7
167.02319	1.7
170.01228	0.9
171.11708	0.7
172.94191	1.4
173.01134	3.7
173.13200	0.8
177.00751	1.9
179.02296	3.5
179.14339	2.0
180.94795	1.3
181.00200	0.9
181.10060	0.6
182.99648	4.3
184.02864	1.2
185.09734	0.7
189.00728	0.8
189.12862	0.7
190.95436	1.5
191.02299	2.1
195.11732	0.8
198.95834	5.1
201.00694	12.3
203.02296	1.1
216.96970	2.0
219.01831	4.5
221.15419	2.9
224.02170	1.3
224.97408	1.9
228.96887	2.2
233.15132	0.7
240.96852	3.6
242.98570	1.5
246.95836	2.0
246.98029	2.2
254.98557	1.0
258.98105	1.8
263.98550	0.9
264.96902	10.3
282.97937	17.3
283.01462	0.9
286.19193	1.0
287.98880	0.8
296.99466	1.7
297.19156	0.8
300.98987	11.4
301.02255	0.9
305.99677	2.8
317.17859	20.0
317.21402	1.3
324.00677	0.7
329.62650	0.6
331.26389	1.6
335.18921	10.3
357.01816	0.8
358.20547	4.0
375.02740	2.6
387.11487	0.7
391.22034	2.4
398.04492	1.0
405.29938	1.8
475.85764	0.7
503.27728	4.1
505.29050	0.6
557.21118	1.9
599.22235	2.9
617.23004	100.0
617.41699	2.9
618.22821	1.4
624.30304	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	615.498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47775	3.4
55.05518	20.4
57.03426	6.1
57.07063	7.2
65.99911	3.7
67.05508	54.8
69.07062	29.4
71.50624	4.3
71.51057	5.8
72.93525	3.3
75.47691	3.2
79.05486	32.1
81.06606	4.2
81.07057	53.2
83.08604	13.8
85.06530	4.5
85.10149	3.6
91.05480	24.8
93.07037	42.2
95.08608	52.5
97.10162	8.3
105.07022	23.4
107.08613	25.4
109.10155	23.3
110.26353	3.6
117.07046	5.5
119.08575	24.2
121.10136	17.0
123.11720	8.8
128.89085	3.6
129.06943	4.8
131.08559	18.3
133.10159	18.9
135.11681	13.9
143.08534	4.6
145.10106	13.4
147.11644	11.4
149.13284	6.8
159.11731	5.4
161.13278	7.6
163.14763	4.9
173.13246	5.5
175.14795	7.3
177.16359	3.7
187.14743	4.2
261.22058	8.9
335.25748	8.3
337.27292	12.4
339.28745	5.0
385.34558	4.3
474.41440	3.9
523.44672	7.6
597.48053	12.0
615.49756	100.0
616.49609	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	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03944	3.2
55.01849	0.9
55.05507	12.9
57.03429	5.2
57.07070	4.1
60.82439	0.8
65.03931	1.5
67.05501	45.4
69.07064	18.4
71.04989	2.0
71.08630	1.4
71.25852	1.5
79.05489	25.3
81.07047	49.3
83.05016	1.7
83.08624	8.6
85.06559	1.6
91.05473	21.6
93.07037	32.3
95.04967	3.1
95.07986	2.1
95.08599	42.8
97.06528	2.0
97.10157	4.6
99.08085	1.6
105.07026	21.0
105.07701	1.7
107.08584	18.0
109.06518	1.3
109.10147	20.9
111.11761	1.1
115.05455	1.2
115.19184	0.8
117.07018	8.8
119.08574	20.5
121.10137	17.3
123.11698	9.8
125.09647	1.8
128.06235	1.0
129.07021	3.6
131.08556	17.2
133.10126	17.2
135.11681	12.7
137.13272	3.1
139.11224	1.0
143.08534	4.7
145.10114	17.3
145.35936	0.8
147.11691	12.7
149.13254	7.6
151.09869	0.9
151.14842	1.8
155.08554	1.1
157.10133	6.7
159.11691	13.8
159.12906	1.5
160.80180	0.8
161.13249	9.8
163.14854	3.5
165.16399	1.0
169.10155	2.7
171.11717	5.2
173.13271	10.6
175.14804	5.5
177.16408	1.9
183.11755	2.0
185.13217	6.1
187.14801	4.6
189.16403	1.5
191.18044	1.2
193.15929	1.1
195.11714	1.2
197.13336	1.4
199.14819	2.7
201.16406	3.7
203.17972	2.0
211.14806	1.5
213.16393	2.0
215.18008	2.0
217.19437	1.5
219.17357	1.0
229.19537	1.5
231.21204	0.9
233.19156	1.0
241.19626	4.3
243.21040	2.6
255.21371	1.0
259.20526	9.0
261.22128	10.4
263.23807	1.6
273.22058	1.5
281.21252	1.3
285.22070	1.4
287.23831	1.0
299.23618	1.7
313.25378	2.0
315.26868	1.4
317.24738	1.9
333.24097	6.2
335.25824	16.0
337.27319	9.2
341.28583	1.7
349.27579	1.0
355.29953	1.4
373.27164	1.2
374.06192	1.0
375.29214	1.0
415.32318	1.0
437.33887	0.9
451.34637	1.1
463.34283	1.1
475.33807	0.9
503.37231	1.6
521.43683	6.1
529.39063	2.1
539.44659	2.5
595.47186	12.0
613.48199	100.0
614.48639	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	614.3317
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
53.71294	0.3
57.07078	5.5
58.06590	1.5
60.48829	0.4
65.03943	0.7
67.88213	0.4
68.76950	0.4
69.07066	0.6
69.30901	0.3
70.06590	16.4
71.08627	2.5
72.08133	0.5
85.10188	0.8
88.07625	19.4
93.07100	0.6
94.27670	0.4
102.09177	14.8
131.04927	0.9
149.02335	38.7
153.06976	0.5
175.03911	1.0
193.04955	47.7
194.05267	0.9
212.23842	0.5
212.76892	0.4
219.06529	1.0
225.05524	0.8
229.67921	0.5
256.26346	42.8
257.26822	1.2
258.48566	0.4
269.04483	2.0
297.03915	2.6
313.06949	2.8
341.06534	10.1
359.07605	5.0
366.30170	0.4
385.09149	46.0
386.09705	1.1
490.68503	0.4
596.32690	0.7
614.33191	100.0
615.33368	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	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03931	1.8
54.66542	0.7
55.01837	0.9
55.05267	1.2
55.05511	13.8
55.83723	0.8
57.03441	5.1
57.07064	3.0
65.03930	2.2
67.05504	45.1
69.07070	16.2
71.04974	1.2
71.10892	2.3
77.03903	0.9
79.05493	25.9
79.05961	1.3
81.07053	53.0
83.04953	0.9
83.08619	8.5
85.06532	2.7
85.10167	0.9
91.05473	18.7
92.16737	1.1
93.07039	28.7
93.74982	0.8
95.04944	1.2
95.08602	40.2
97.06519	3.9
97.10163	5.9
99.08093	1.5
100.17484	0.8
105.07030	22.4
107.08594	19.9
109.10150	20.3
111.08087	1.3
117.07013	6.4
119.08580	20.4
121.10138	17.9
123.08086	1.0
123.11700	8.5
125.09612	1.9
129.07013	5.1
130.07771	0.9
131.08556	17.3
133.10129	18.2
135.11685	11.7
137.09717	0.9
137.13258	3.8
143.08582	5.0
145.10114	15.6
147.11687	14.1
149.13277	7.2
151.11113	1.0
151.14859	1.5
155.08566	1.3
157.10133	5.4
159.11702	13.7
161.13268	10.2
163.14842	4.1
165.16386	1.0
169.10168	2.2
171.11687	6.5
173.13249	12.6
175.14798	6.4
177.16280	1.8
183.11710	2.2
185.13208	4.4
187.14764	5.6
189.16393	3.2
191.17944	1.3
197.13310	2.5
199.14864	4.0
201.16425	3.2
203.17950	1.8
208.63863	0.8
211.14825	0.9
213.16522	1.2
215.17966	1.8
217.19485	1.9
225.16441	1.1
231.21115	1.4
233.19154	1.4
241.19818	4.0
243.21144	2.9
247.20500	1.9
257.19055	1.3
259.20572	8.3
261.22125	11.2
263.23712	1.6
273.21924	1.0
275.23642	1.0
277.21606	1.1
279.23270	1.2
285.22122	1.4
287.23691	1.8
295.22687	1.0
299.23804	1.2
300.11526	0.9
301.25311	1.1
313.25287	2.2
315.23181	1.1
315.26849	1.3
317.24719	1.4
327.26721	1.6
333.24118	5.0
335.25787	16.5
337.27420	7.5
341.28275	1.0
345.27689	0.9
355.30029	1.4
487.38181	1.0
489.35880	2.3
503.36960	1.7
517.38470	1.0
521.43420	4.5
529.39050	1.3
531.40558	1.2
539.44635	2.8
584.13629	0.9
588.59265	0.9
595.47223	13.6
613.48236	100.0
614.48395	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	614.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01861	1.0
55.05509	16.1
56.05030	4.9
56.05837	1.3
57.03430	2.7
57.06796	1.3
57.07073	16.8
60.04521	62.6
61.49298	0.9
67.05501	35.3
68.05830	3.1
69.03416	1.0
69.07063	16.6
70.06568	2.2
70.57494	3.0
70.57844	1.1
71.04961	1.7
71.08638	11.5
72.04506	3.4
74.06065	2.4
79.05486	16.0
80.05019	4.0
80.05811	2.1
81.03410	3.1
81.07053	33.0
82.06564	4.2
82.07375	3.7
83.04977	2.6
83.08615	11.9
84.04507	1.7
84.08134	1.7
85.02883	1.1
85.10175	3.9
86.06052	1.4
88.07610	1.6
89.06001	3.2
91.05475	13.1
92.05787	2.1
93.07035	18.0
94.06555	4.2
94.07357	2.4
95.04969	5.1
95.08600	34.9
96.08126	1.8
96.08939	2.8
97.06510	1.9
97.10154	6.2
98.06014	1.6
98.09658	1.8
102.05525	7.4
105.07017	11.0
106.07352	1.7
107.08588	12.5
108.08118	2.0
108.08879	1.5
109.06515	1.6
109.10144	15.6
110.10493	3.2
111.11755	1.6
117.07023	3.4
119.08587	10.8
120.08874	2.1
121.10143	8.0
122.10485	2.0
123.08048	1.4
123.11713	5.5
129.06987	1.2
131.08553	5.7
133.08612	2.2
133.10147	9.2
135.11688	4.6
136.12027	1.8
137.13248	1.6
143.08553	2.5
145.10098	4.9
146.10477	2.3
147.11710	4.8
149.13200	1.5
159.11719	3.6
160.12082	1.6
161.13239	3.8
163.14862	1.6
171.11716	1.7
173.13240	2.6
174.13559	1.3
175.14832	2.2
186.13573	1.4
187.14833	2.2
208.68465	1.2
252.26701	1.1
256.26373	10.4
260.20984	1.7
261.22131	1.9
262.22678	1.5
262.25253	16.8
263.23611	4.5
280.26318	27.8
298.27408	9.6
311.84604	1.0
322.27216	1.7
334.24509	1.0
335.25803	3.0
336.25980	2.8
337.27167	1.3
338.27707	2.1
340.28455	7.0
348.93726	1.0
358.29416	5.3
375.28476	1.2
490.36453	1.3
500.48093	1.2
514.39624	0.9
518.49249	5.5
536.50366	100.0
537.50421	4.5
540.45313	2.1
554.51483	6.6
578.51465	30.3
579.51135	1.7
596.53015	13.8
614.48615	31.3
615.48840	2.1
639.64026	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	612.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70621	0.4
55.01871	0.4
55.05474	0.6
56.05014	0.4
60.04518	0.5
61.02914	0.4
65.03917	0.7
67.05483	1.4
69.03429	9.6
69.90870	2.0
70.06596	3.9
71.04996	0.6
72.08152	2.2
74.06083	0.3
74.65555	0.4
76.91288	0.3
77.03910	0.4
79.05486	1.1
81.03401	1.5
81.07043	1.5
81.44850	0.3
84.04494	1.1
84.08148	1.5
85.02888	1.3
85.06549	2.0
86.09701	3.4
91.05474	13.0
93.07015	1.2
95.04962	0.8
95.08598	0.6
97.02880	1.3
98.21501	0.7
103.05454	1.0
105.07030	1.8
107.04943	1.7
107.08585	0.6
109.02853	0.9
109.06515	0.7
110.07158	1.4
115.05457	0.6
117.06990	0.7
119.04941	24.6
119.08556	0.5
120.08130	2.1
121.06497	1.2
121.10154	0.5
123.04417	0.6
127.03909	4.2
129.10190	1.1
131.04907	0.6
131.08551	1.4
132.02032	0.9
133.02875	0.5
133.06438	1.1
135.04395	0.7
135.08171	0.5
136.07555	1.1
137.05951	1.2
145.02811	1.3
145.06456	0.6
145.10104	1.1
147.04410	22.7
149.05968	0.4
149.09618	1.1
151.04022	0.5
151.07504	0.4
152.07011	0.7
153.05484	0.5
157.03949	2.5
161.06003	0.7
163.03893	0.4
163.11192	0.6
164.14401	0.4
167.03477	0.6
167.07021	4.3
175.03903	47.8
176.04434	0.7
177.05453	1.7
178.06169	0.5
179.07063	2.2
181.04926	1.0
186.96620	0.4
189.25838	0.3
191.07001	1.0
191.10651	1.3
192.04259	0.5
193.08586	1.3
194.12877	0.4
201.05417	0.5
207.06519	100.0
207.25403	0.4
208.06886	1.6
209.11656	1.8
219.06485	0.8
225.07587	0.9
227.12749	2.5
233.08025	0.7
235.05812	0.4
263.09225	0.9
287.09018	0.5
291.08502	1.0
293.21185	0.7
303.08698	0.6
351.10736	11.6
364.21545	0.7
369.11777	37.8
370.12173	0.9
445.36722	0.4
473.59647	0.4
505.81604	0.5
612.25909	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	613.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81162	1.0
55.05513	1.8
58.03549	1.1
58.67150	1.0
67.05497	3.7
69.03450	1.0
69.07068	2.3
70.06586	2.4
71.51739	1.7
79.05482	3.8
81.07052	2.8
82.06570	1.4
84.04536	1.3
84.08142	1.3
85.06544	2.5
85.83224	1.0
86.09702	2.6
91.05474	3.8
93.05788	2.3
93.07037	7.0
94.06561	9.8
95.04959	2.1
95.07333	6.4
95.08600	2.5
96.08117	13.8
97.06525	1.8
103.05419	1.0
105.06992	2.3
106.06557	4.7
107.07333	1.4
108.08121	18.7
110.09676	18.0
115.63671	1.0
116.04968	1.3
118.06535	2.0
119.24432	1.0
120.04495	5.4
120.08099	17.0
121.06552	1.3
121.10117	1.6
122.06006	5.8
124.07589	9.7
129.10291	1.1
131.04932	1.2
132.08080	1.6
134.05963	2.5
136.07565	30.3
137.05972	2.2
138.09131	32.0
144.04440	1.7
144.08055	1.8
146.06015	13.8
146.09622	2.1
148.07556	27.5
150.05502	1.1
150.09128	4.0
152.07056	12.4
160.07608	2.5
162.05504	3.7
162.09058	1.3
163.06316	1.0
164.07121	5.1
165.07860	1.3
166.08624	32.4
167.07053	6.2
172.03908	8.5
173.05951	1.5
174.05475	1.5
174.09137	2.6
176.07072	2.1
177.05481	1.3
181.04971	3.5
182.09694	1.3
183.09154	1.9
184.09726	1.2
190.04977	20.8
191.07088	1.8
196.09953	1.3
197.10736	2.1
198.11519	2.8
199.12318	1.3
209.10732	2.9
210.09163	1.3
210.11516	4.2
211.08698	2.3
211.12283	6.8
212.09357	2.8
213.10304	1.2
217.45105	1.0
218.08156	6.3
220.09898	1.1
221.10715	2.5
222.11423	1.9
223.08551	1.4
223.12230	9.3
224.09431	3.4
224.13066	1.2
225.10225	15.2
225.13689	1.3
226.10951	6.3
227.11771	6.4
229.13304	3.3
235.08653	3.7
235.12355	2.2
236.09535	4.6
236.12924	1.4
237.10213	18.3
238.10960	12.5
239.08136	1.4
239.11787	13.4
241.09721	1.9
241.13403	1.3
243.11151	1.2
245.12836	1.5
248.09445	4.3
249.10211	16.2
249.12863	1.3
249.13748	1.0
250.11015	9.1
251.08093	2.3
251.11804	22.1
251.14404	1.3
252.08954	4.6
252.12509	2.7
253.09755	4.3
253.13249	5.3
255.11345	6.4
256.12128	2.5
257.12772	2.3
261.10229	1.6
262.10910	4.9
263.07913	2.2
263.11783	28.7
264.09097	6.7
264.12387	7.6
265.09720	11.2
265.13342	13.2
266.10510	7.7
266.13745	1.4
267.11285	20.0
269.12766	5.6
271.11060	2.5
271.14441	12.5
273.12143	5.9
275.11777	1.8
277.09689	4.0
277.13217	1.2
278.10422	5.0
279.11258	44.9
280.12033	4.0
281.12839	15.1
282.10172	1.8
282.13510	1.9
283.10764	10.1
284.11542	21.1
285.12314	34.2
285.14841	1.3
287.13934	2.0
289.05298	1.8
291.11249	20.7
292.11981	4.8
293.09372	2.7
293.12753	15.4
295.10922	2.5
295.14194	1.4
296.11646	11.9
297.12305	46.6
298.12943	3.5
299.13834	7.8
300.15509	1.1
304.08447	1.3
307.10785	2.5
309.12302	39.0
310.13083	4.3
311.10352	11.8
311.13681	2.2
312.11066	5.9
313.11691	6.0
315.13614	2.7
316.14429	2.9
319.10727	18.8
321.12265	16.9
323.10223	22.6
323.13965	1.1
324.10974	1.8
325.11755	23.0
326.12552	1.1
327.13336	9.2
328.14502	1.3
329.14938	1.3
337.11795	100.0
338.12485	3.5
339.13330	4.5
341.11246	2.6
341.15070	1.6
342.15985	2.5
343.12982	2.8
344.17694	2.0
346.19305	1.5
347.25726	1.6
353.15118	1.2
355.59552	1.0
356.13754	1.9
356.17731	1.7
358.15448	1.9
360.17102	2.1
369.14581	1.5
370.15552	2.5
372.16965	1.8
374.18738	2.4
376.20383	2.6
385.13120	2.1
386.14786	2.4
388.16516	1.6
390.17969	2.8
392.19556	2.2
396.17068	1.5
400.16434	2.2
402.18100	4.1
404.19897	4.1
412.16660	2.5
414.17938	2.4
415.31985	1.1
416.15662	1.5
417.16037	1.4
418.17200	2.4
421.19443	2.2
422.20184	1.8
424.16150	1.5
428.15958	6.1
430.17575	17.4
431.18396	1.5
432.19058	6.4
433.20398	1.7
436.18503	5.0
442.17621	7.5
444.19281	2.6
446.20953	8.0
448.13614	1.0
448.18594	36.2
449.19431	45.4
449.25772	2.5
450.20227	21.2
458.16919	1.6
460.18674	39.2
461.19452	2.4
462.20190	9.7
472.18561	4.4
474.20251	6.9
476.18091	15.2
477.18909	6.7
478.19681	14.7
490.19702	60.5
491.20416	11.8
492.21213	15.3
567.26233	3.7
569.32813	2.1
571.25330	1.8
581.23474	3.5
595.25311	15.5
613.25433	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	612.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.6
56.05033	4.6
60.11895	1.7
61.01137	2.2
67.05478	4.2
69.03428	14.9
69.07050	5.5
69.47339	1.7
70.02951	1.8
70.06594	37.0
71.06923	3.2
71.60255	2.9
72.08159	10.8
79.05499	2.9
81.03404	2.7
81.07059	9.4
84.04477	6.1
84.08158	15.1
85.02895	5.0
86.09222	3.2
86.09705	37.7
87.10026	2.8
88.03959	4.2
91.05469	15.1
93.07040	4.5
95.08598	5.3
97.02893	4.0
99.08092	2.8
102.05543	4.2
103.05434	2.6
104.05309	3.5
105.07016	4.1
107.04945	5.4
107.08570	4.2
109.02847	2.9
109.10159	4.7
110.07160	5.3
112.08723	2.8
115.08701	1.9
116.07090	2.0
119.04943	23.1
120.08076	15.6
121.06511	2.7
121.10184	3.7
123.04419	3.7
123.11703	3.8
127.03929	4.4
129.10214	7.8
130.04958	2.9
131.08528	2.8
135.04399	3.4
136.07539	6.3
137.05972	4.8
143.11778	3.2
145.02849	4.2
147.04399	27.4
148.06041	2.9
150.05487	2.7
151.07521	2.8
152.07031	5.9
161.05980	2.1
161.99416	1.9
163.03868	4.7
166.61076	1.8
167.07007	9.1
168.10222	3.3
174.05724	2.2
175.03905	54.1
177.05443	5.9
179.07043	2.0
181.04922	4.2
197.10553	2.1
201.05386	2.2
207.06528	100.0
265.45578	1.9
280.26999	2.3
283.10345	2.0
291.26953	2.3
292.27075	3.0
310.27963	3.1
314.86475	2.0
346.20169	2.6
351.10754	11.4
369.11813	45.1
456.39011	2.1
612.23981	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	611.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01868	2.1
55.05496	8.5
56.05016	9.3
57.03423	2.8
57.07053	5.1
61.01141	3.6
65.03914	2.9
67.05506	13.7
69.03429	16.0
69.07067	17.2
69.66953	5.9
69.67365	6.7
70.06586	36.1
71.04983	3.7
72.08151	12.2
79.05485	7.2
81.03422	4.5
81.06605	2.6
81.07055	42.8
81.57776	2.0
83.08605	9.3
84.04498	14.0
84.08135	28.9
85.02914	10.8
85.06532	13.8
86.09705	29.5
91.05443	25.1
93.07035	15.3
95.04973	5.2
95.08598	28.7
97.02888	5.9
97.06517	3.8
97.10162	2.0
98.21495	2.4
98.98436	2.4
99.04446	2.4
99.08108	2.7
102.05539	8.3
103.05453	3.7
104.05337	8.4
105.01884	2.5
105.07023	9.2
107.04958	5.1
107.08598	19.1
108.08065	2.3
109.02865	4.3
109.06522	3.6
109.10155	18.6
110.07134	6.2
110.09676	2.5
111.08058	6.6
111.11711	4.4
112.08729	3.3
115.08714	4.0
119.04932	29.9
119.08553	6.4
120.04488	2.5
120.08108	23.0
121.06483	5.4
121.10104	13.0
123.04412	3.5
123.11691	15.2
125.09635	2.6
127.03910	9.5
129.10223	24.4
130.04993	3.1
133.06430	3.2
133.10139	2.4
135.04401	3.4
135.11685	8.1
136.07570	6.4
137.05974	4.4
137.13222	6.9
145.02824	4.6
146.06273	5.7
147.04399	38.9
147.11629	3.9
149.13248	6.8
151.07526	3.8
153.12738	3.0
157.03943	2.3
159.07921	2.6
159.09207	3.6
159.11665	2.4
161.05936	5.5
161.13263	7.0
163.03874	3.6
163.07487	2.2
163.14893	4.7
165.12737	2.9
166.08534	3.0
167.03394	2.4
167.07034	18.1
171.86028	2.1
173.05930	2.6
175.03914	52.7
175.07320	2.8
177.05470	6.5
177.16389	3.1
179.07071	3.5
181.04977	10.2
197.08116	3.6
207.06523	100.0
213.16209	2.1
217.19473	8.1
235.20500	8.8
237.11102	3.1
245.11208	4.6
253.21603	6.3
257.27991	2.3
273.25909	4.4
291.26752	12.1
297.27853	2.9
309.27908	10.6
327.28891	5.7
335.16760	2.1
351.10651	7.8
369.11780	29.0
398.15158	2.2
431.16983	2.6
458.16638	4.1
611.21118	4.8
611.31219	6.4
611.82196	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10340	1.0
53.03931	2.5
55.01857	1.4
55.05511	15.7
57.03437	6.5
57.07075	4.0
60.68218	1.0
65.03929	2.4
67.05502	40.0
69.07076	14.5
70.10083	4.0
71.04997	1.3
71.08620	1.6
79.05493	30.0
81.07055	44.9
81.07538	2.2
83.05003	2.9
83.08620	7.4
85.06540	2.2
90.17763	1.0
91.05479	25.9
93.07039	33.3
95.04962	3.9
95.08597	33.7
97.06553	2.1
97.10165	3.0
99.08054	1.3
103.05492	1.1
105.07028	29.0
107.08585	21.7
109.10155	14.0
111.08087	2.0
111.11747	1.3
115.05484	1.7
117.07000	10.7
119.08578	27.0
121.10158	15.2
123.11695	5.0
128.06255	1.5
129.06993	9.2
130.07811	1.0
131.08565	22.1
133.10136	19.7
135.11684	9.1
137.09657	1.2
137.13271	2.0
141.07039	1.5
142.07767	1.4
143.08571	11.7
145.10114	20.4
145.11172	1.6
147.11687	16.0
149.13260	7.5
155.08563	5.0
157.10152	11.8
159.11687	17.6
161.13254	10.9
163.11113	1.4
163.14819	2.9
167.08614	2.1
169.10112	7.3
171.11684	13.9
173.13278	10.0
175.14804	6.5
181.10201	2.1
183.11681	4.8
185.13275	9.8
187.14819	6.9
189.16405	2.5
195.11703	3.2
197.13307	4.8
199.14815	5.8
201.16403	3.1
207.11455	1.1
209.13219	2.3
211.14832	3.2
213.16380	5.6
215.18028	1.5
223.14966	1.7
225.16396	2.8
227.18008	2.8
229.19562	2.4
231.21053	1.8
237.16396	1.4
239.17935	2.0
241.19641	8.6
243.20993	1.7
245.19040	1.5
251.18091	1.5
257.18979	2.8
259.20572	15.8
260.15918	1.2
261.22217	4.5
263.23618	1.2
315.23120	1.5
327.23175	1.4
327.27148	1.2
333.24277	9.0
335.25790	16.4
353.28412	1.8
379.30423	1.1
449.34244	1.6
519.42175	6.7
527.37305	1.3
537.42578	3.9
541.38684	2.5
593.45477	9.8
611.46698	100.0
612.46796	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	611.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01853	1.6
55.05496	5.2
56.05021	7.2
57.03426	3.0
57.07067	4.9
60.10587	1.9
61.01134	3.9
61.02914	2.2
67.05505	13.0
68.05020	2.1
69.03436	15.4
69.07072	20.3
70.06593	24.9
71.04973	2.0
72.08144	7.8
79.05473	9.2
81.03404	4.8
81.07056	40.3
81.14917	1.6
83.08595	5.6
84.04504	11.7
84.08153	23.6
85.02895	9.2
85.06549	12.9
86.09698	23.6
87.00832	2.8
91.03973	1.9
91.05446	19.1
93.07030	13.2
95.04951	3.8
95.08604	28.9
97.02891	2.3
97.06503	4.5
97.10159	3.0
99.08083	4.8
102.05530	7.2
103.05451	2.8
104.05314	8.1
105.01843	2.2
105.07035	10.0
107.04952	7.8
107.08601	13.8
108.45260	1.7
109.02868	3.6
109.06460	2.4
109.10156	20.2
110.07128	5.9
111.08066	5.9
111.11710	2.9
112.08727	2.5
113.05989	1.9
115.05459	3.4
115.07619	1.7
115.08691	2.3
117.07012	2.8
119.04947	20.6
119.08582	4.1
120.08105	22.3
121.06474	4.3
121.10137	9.0
123.04396	3.2
123.11717	16.9
125.09574	5.3
127.03912	6.4
129.10260	17.4
130.05014	3.3
131.04945	2.8
131.08546	2.6
133.06480	1.7
133.10120	3.4
135.04449	2.2
135.11649	8.2
135.41585	1.7
136.07568	3.7
137.05936	4.5
137.13301	7.9
139.11211	2.4
145.02771	1.8
145.04892	2.2
145.06390	2.4
145.10075	2.9
146.06244	4.0
147.04413	27.1
147.11687	6.1
149.05966	2.8
149.13255	8.1
151.03865	2.1
151.07581	2.4
152.07065	4.2
153.12709	3.7
157.03932	1.8
159.09184	2.3
161.05966	2.7
161.09532	2.1
161.13245	3.0
163.03888	2.3
163.14807	5.1
165.12764	3.8
167.07043	15.2
172.97577	2.0
173.05978	2.2
174.05789	2.4
175.03912	50.2
175.07495	2.6
175.82889	1.9
177.05420	6.6
177.16333	1.7
181.04956	7.5
191.18010	2.7
193.08580	2.7
197.08105	2.1
201.05595	1.6
205.08516	2.1
207.06528	100.0
217.19554	6.6
227.12798	1.8
235.20546	6.3
237.11208	5.0
240.13367	4.1
249.07515	2.6
253.21596	5.6
256.67398	1.7
258.24356	2.0
273.25696	4.0
279.26935	2.1
286.24387	1.7
287.09045	1.6
291.26828	9.9
309.27908	6.8
327.28622	4.0
338.05875	2.4
351.10727	10.8
369.11792	39.5
458.16803	3.1
500.57111	2.2
521.31451	1.9
524.79382	1.7
582.41919	2.1
611.22308	2.7
611.32263	4.9
611.81873	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01850	1.9
55.05506	16.5
55.09088	1.5
57.03425	6.5
57.07067	2.7
65.03932	1.9
67.05501	49.4
69.07062	18.4
71.04995	1.6
79.05489	37.1
79.97993	1.4
81.07053	51.5
83.04982	2.4
83.08614	10.5
84.88454	1.4
85.06564	1.5
91.05468	34.6
93.07040	42.1
95.04958	4.4
95.08602	42.3
97.06531	2.5
97.10158	2.9
98.20637	2.5
99.08098	2.2
105.07029	36.4
107.08602	25.9
109.10154	17.1
111.08083	2.5
115.05399	1.4
117.07016	18.7
119.08575	31.1
119.09379	2.3
121.10130	16.0
123.11712	5.9
128.06250	2.0
129.06993	12.5
131.08553	25.5
133.10118	25.2
135.11668	14.9
137.13257	2.4
141.07053	2.0
142.07800	2.6
143.08562	15.8
145.10117	25.9
147.11681	18.6
149.13239	6.6
155.08609	6.0
156.09375	1.8
157.10129	14.2
159.11687	20.0
161.13240	13.1
163.14803	3.1
167.08578	1.6
169.10089	8.0
171.11659	15.9
173.13258	13.9
174.66359	1.3
175.14821	3.8
177.16499	2.2
181.10124	1.7
183.11659	7.7
185.13289	10.9
187.14856	4.6
189.16292	2.4
195.11714	3.7
197.13309	4.3
199.14856	5.7
201.16428	5.3
211.14810	2.9
213.16409	5.1
215.18074	2.7
223.14909	2.6
225.16576	2.1
227.18008	3.2
229.19589	1.9
231.21120	2.1
237.16487	2.0
239.17967	2.8
241.19685	6.6
243.21077	1.8
253.19653	1.7
256.21710	1.5
257.19028	5.2
259.20529	17.4
259.23026	1.7
261.22232	3.7
277.21716	1.7
285.29572	1.6
313.21835	1.8
313.25098	2.4
315.23245	1.8
333.24265	12.2
335.25732	17.9
413.76041	1.4
423.32550	2.1
451.35587	1.7
519.42249	6.7
537.43042	4.3
541.38831	2.4
555.39929	2.1
590.00287	1.6
593.45551	9.9
611.46655	100.0
612.46759	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	610.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.3
55.01858	3.9
55.05499	13.0
57.03411	4.2
57.07070	15.6
61.02913	6.6
63.61049	4.1
67.05510	17.4
68.99805	3.6
69.03434	22.1
69.07063	21.6
69.39017	32.6
70.06589	13.0
71.08614	4.9
72.08141	5.2
76.59484	3.3
79.05479	14.9
81.03432	20.5
81.07061	32.3
83.08621	11.9
84.08135	4.5
85.02907	48.4
86.09697	8.6
87.00832	14.0
91.05463	15.0
91.05869	6.6
93.07018	29.1
95.04961	5.4
95.08598	44.1
97.02872	13.3
97.10146	9.5
99.04464	5.5
105.01864	11.8
105.07015	19.2
107.08556	21.4
109.02866	12.6
109.10165	25.3
111.11707	5.5
119.08584	13.9
120.08109	4.6
121.10133	13.4
123.08039	4.2
123.11717	9.4
127.03897	20.1
131.04929	7.7
131.46211	4.0
133.10129	12.8
135.11697	11.8
137.05977	100.0
137.06969	7.4
137.13283	8.0
140.94408	4.3
145.04951	8.6
147.11685	6.8
149.13213	12.3
151.03770	4.8
159.02876	5.7
161.13251	5.3
163.07585	10.2
163.14789	3.6
175.07521	4.4
177.05428	5.3
177.16400	3.8
181.08591	10.3
217.19595	4.0
237.64624	3.5
269.12723	4.6
273.25775	12.8
283.22638	6.1
285.12555	4.7
288.34451	3.8
291.26758	11.3
295.19254	3.7
301.23599	5.3
309.27960	9.6
325.11755	4.2
355.06686	5.4
381.22717	5.4
610.33832	8.0
611.30566	6.7
632.39410	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	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
54.22510	1.3
55.01876	3.4
55.05503	2.0
57.03438	1.6
60.04524	2.0
63.12656	1.4
63.21501	1.6
67.05501	3.7
69.03425	6.5
69.07057	5.6
70.06596	10.6
70.65612	3.7
70.66002	3.3
71.04993	4.4
71.99687	1.4
72.08141	5.1
79.05474	12.7
81.03406	3.2
81.07045	14.5
83.04982	16.3
84.04523	3.2
84.08153	2.7
85.02896	10.8
86.09695	9.4
91.05448	11.2
93.07044	20.6
95.04965	7.9
95.08595	9.4
97.02879	7.7
97.06529	16.5
99.04457	7.8
103.05467	1.5
105.07036	24.5
107.04936	11.0
107.08599	14.3
109.02905	2.1
109.06517	10.6
113.05993	1.8
117.07023	4.8
119.04939	8.9
119.08603	9.2
120.08145	3.9
121.06506	17.7
121.10155	3.0
123.04472	2.3
125.05975	22.3
127.03918	2.1
129.07018	4.4
130.65424	1.5
131.08560	6.4
133.06506	6.7
133.10146	2.5
135.08081	5.4
135.11708	8.5
137.06021	11.2
139.07550	4.8
143.07031	16.7
143.08609	3.9
145.02837	2.1
145.06490	5.3
145.10120	42.1
145.11136	1.6
147.07964	3.4
147.11719	7.7
149.05940	2.4
151.07536	4.1
152.07080	1.8
155.08568	2.5
157.08621	6.6
158.07286	3.1
159.04533	1.6
159.08032	4.4
159.11665	20.4
161.13225	4.3
163.11177	52.5
167.03320	2.1
169.10170	6.5
172.08807	2.6
173.09608	39.9
173.11041	2.7
177.05492	6.8
177.12711	3.2
179.08594	3.6
181.12230	12.2
187.11143	33.3
189.12746	2.9
191.10652	14.3
197.09628	13.6
205.12231	18.7
207.06592	1.8
207.13824	3.7
209.11766	5.6
215.10654	48.3
223.13286	3.1
227.12732	14.0
229.11893	2.4
233.11710	83.6
251.12782	100.0
259.71466	1.7
269.13849	25.6
303.04919	10.4
435.81363	2.0
470.73364	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	611.1605
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03934	0.6
53.72583	0.2
55.01859	0.4
55.05510	0.3
56.05024	0.6
57.03423	0.7
58.99567	0.2
60.04501	0.3
61.02930	1.5
65.14944	0.2
67.60368	0.2
68.99799	0.3
69.03432	2.5
70.06595	3.2
71.00713	0.5
71.04980	0.4
72.08170	1.1
73.02905	0.5
74.06056	0.3
76.02227	1.1
76.14031	0.2
81.03417	2.1
82.03759	0.3
84.04488	0.8
84.08128	1.1
85.02905	10.2
86.09712	1.2
86.40054	0.2
87.04465	0.4
91.03973	0.5
91.05466	0.3
97.02893	2.8
99.04459	0.5
102.05502	0.3
105.03365	0.3
107.04926	0.5
109.02880	1.1
110.07131	0.5
111.00820	0.5
116.03261	0.2
120.08109	1.2
121.02876	2.2
127.03915	2.1
129.10231	0.7
135.04462	0.4
136.07574	0.6
137.02319	0.9
137.05960	0.3
145.04961	2.1
145.06052	0.3
147.04427	1.1
153.01845	3.3
155.08089	0.5
157.06497	0.4
161.05991	0.2
162.02213	0.5
165.01808	1.7
169.13341	0.4
177.05492	0.5
179.04866	0.9
183.02930	0.9
185.05988	0.5
213.05437	1.0
224.62001	0.3
227.64050	0.2
231.06447	0.7
241.04910	0.8
258.05170	1.1
259.06079	0.4
287.05493	100.0
288.05850	2.8
300.11710	0.3
303.04968	1.7
308.08994	0.7
321.36380	0.3
329.06747	0.7
449.10767	12.8
450.10825	0.4
611.32440	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	610.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	16.2
57.03413	4.2
57.07084	18.5
61.02909	4.7
63.63954	3.2
67.05508	37.7
69.03413	12.9
69.07066	41.0
69.40411	14.1
69.40831	15.8
70.06578	12.5
71.08610	13.4
72.08142	4.6
76.43096	3.3
79.05486	27.0
81.03406	10.5
81.06596	5.5
81.07057	82.4
83.08616	26.2
84.08131	3.4
85.02920	24.7
85.10193	4.1
86.09714	4.9
87.00813	6.0
91.05396	22.1
93.07043	51.8
95.04972	6.9
95.08607	100.0
97.02893	6.0
97.06526	7.6
97.10168	22.2
98.21496	7.5
105.01836	11.8
105.06395	4.5
105.07031	37.9
107.04930	5.0
107.08593	41.4
109.02867	5.5
109.06486	5.8
109.10155	55.5
110.09693	5.5
110.43710	3.3
111.11697	12.5
111.18259	3.1
119.08575	23.9
120.08128	7.0
121.10155	29.8
123.04437	4.1
123.08059	9.5
123.11718	26.8
124.07574	4.6
125.09637	6.6
125.13254	4.4
127.03896	13.4
127.82880	3.5
131.08617	4.9
133.10115	20.0
135.11678	25.2
136.07532	7.4
137.05995	4.8
137.09592	10.2
137.13213	13.9
138.09126	9.1
139.11092	4.4
145.04913	5.8
145.10194	4.7
147.11691	26.5
149.13229	22.9
151.11157	4.9
151.14799	10.3
155.10577	5.9
161.09602	6.4
161.13214	16.9
163.14810	12.3
165.12746	5.0
165.16383	7.2
166.08560	10.6
167.06996	10.8
173.09622	11.5
175.14833	7.4
177.05478	7.0
177.16373	8.8
179.17867	5.1
181.04927	6.5
183.13907	4.5
189.16341	8.2
190.04973	11.5
191.17912	8.4
202.20216	4.1
203.17963	11.3
217.15807	5.0
217.19501	13.1
227.11705	5.5
231.05003	4.9
237.10205	4.9
249.05957	4.0
269.12842	9.1
273.12256	4.2
273.25769	58.9
283.10468	3.5
285.12192	5.1
289.18011	4.9
291.26788	39.6
309.27835	15.1
323.10120	5.3
325.11679	10.3
327.13535	4.7
343.12799	4.3
355.06845	10.8
363.21698	19.4
381.22638	30.3
382.11841	5.1
398.14920	12.9
399.15707	8.4
416.15955	5.2
440.16681	5.0
446.17068	6.3
458.17126	25.9
569.23688	6.8
593.23303	5.2
611.23712	7.2
635.27075	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	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01869	3.6
55.05511	5.4
61.02918	3.3
61.81113	1.5
67.05499	6.4
68.51225	1.3
69.03429	12.3
69.07063	14.2
69.33861	3.3
69.34264	9.8
70.06590	8.0
71.04997	5.0
72.08144	2.2
73.02902	1.6
73.06522	1.7
77.71327	1.7
79.05486	19.1
81.03397	3.1
81.07050	17.2
83.04980	31.3
84.08131	5.0
85.02901	14.7
85.06533	5.6
86.09711	7.1
91.05454	13.6
93.06475	2.8
93.07037	29.3
95.04964	13.7
95.08608	4.6
97.02883	2.1
97.06525	32.4
99.04443	8.1
101.05984	1.5
105.07030	39.7
107.04956	12.1
107.08600	17.1
109.02872	2.1
109.06515	21.6
110.07139	3.7
111.04452	3.1
111.08067	4.9
113.06006	1.6
117.03380	1.9
117.07028	9.1
119.04945	16.3
119.08578	13.4
120.08091	4.1
121.06502	31.8
121.07373	1.7
121.08324	1.5
121.10124	3.8
123.08096	3.4
125.05988	48.0
127.03892	3.0
127.07542	11.3
129.06956	1.6
129.10217	2.9
130.07779	4.7
131.08548	12.6
133.06483	6.7
133.10153	6.8
135.08055	2.9
135.11697	4.7
137.05957	7.3
139.07541	14.9
141.06996	2.8
143.07037	43.0
143.08536	6.3
144.09332	3.7
145.02835	4.6
145.04965	1.6
145.06453	6.5
145.10120	79.1
146.07285	1.7
147.08064	2.2
147.11697	8.0
149.05977	2.2
151.07558	8.5
154.07767	3.8
155.07051	1.9
155.08583	2.4
157.08618	15.3
158.07266	6.1
159.08076	6.3
159.11684	36.3
161.13229	3.2
163.07510	2.0
163.11182	63.8
169.10112	9.2
171.11658	2.0
172.08806	2.2
173.09622	45.8
175.07599	1.7
177.05463	8.5
177.12720	11.7
179.08575	3.6
182.07297	1.7
187.11179	57.1
189.12729	3.5
191.10628	22.4
197.09586	10.3
205.12236	59.6
209.11720	6.4
215.10664	69.2
223.13246	14.6
233.11722	94.5
251.12781	84.2
269.13824	100.0
270.14127	2.3
287.05240	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	609.4512
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03935	1.8
55.01873	1.2
55.05503	15.8
55.34710	1.0
57.03428	3.9
57.07069	2.9
57.77666	1.1
62.93776	1.0
65.17250	1.0
67.05505	25.5
69.07065	12.1
70.29062	1.2
70.67731	4.2
71.04974	1.4
72.84270	1.1
77.06985	1.0
79.05489	16.9
81.07053	25.2
83.04976	1.4
83.08592	6.1
86.86679	1.0
90.39512	1.0
91.05460	14.2
93.07037	17.2
95.04958	2.2
95.08598	19.6
97.06506	2.1
97.10161	3.3
99.08081	1.3
105.07022	15.5
107.08585	12.8
109.06532	1.7
109.10150	9.4
111.08102	1.5
115.05448	2.3
117.07001	8.0
119.08576	14.2
121.10161	7.8
123.11703	1.2
128.06226	2.9
129.07016	12.8
131.08572	15.2
133.10101	11.6
135.11703	5.3
141.06981	6.0
142.07809	3.4
143.08542	16.8
145.10110	14.9
147.11685	6.8
149.13278	1.7
153.07037	1.8
154.07777	2.6
155.08539	12.7
157.10141	15.3
159.11691	9.8
161.13260	4.5
161.82999	1.1
167.08589	5.9
168.09332	2.3
169.10120	15.2
171.11687	13.1
173.13231	6.0
175.14888	1.7
179.08559	2.4
179.19760	1.0
181.10092	8.2
182.10934	1.9
183.11684	15.2
185.11777	2.1
185.13254	9.8
187.14861	3.1
193.10176	3.8
195.11711	10.4
197.13252	13.0
199.14798	6.5
207.11761	2.6
209.13260	9.1
211.14803	9.5
213.16415	4.8
215.17955	1.5
221.13306	3.6
223.14758	6.8
225.16417	4.0
227.17950	4.0
233.13055	1.8
235.14873	2.8
237.16414	4.3
239.18036	4.4
241.19688	1.2
247.14775	1.3
249.16435	1.8
251.18008	2.7
253.19592	2.3
257.18976	2.4
265.19434	2.7
275.20209	1.4
283.20502	1.2
309.22107	1.6
337.25290	1.7
349.24991	1.4
351.26773	2.3
365.28369	2.8
405.31741	1.9
447.32751	1.8
461.34344	1.6
499.39526	1.8
517.40314	14.4
535.42175	6.8
573.43219	2.8
591.43988	14.4
609.45068	100.0
610.45294	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	610.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01863	1.5
55.05497	2.3
57.03421	1.0
59.31934	0.6
61.02908	1.3
67.05503	3.8
69.03426	5.1
69.07065	7.0
70.06590	8.3
70.62135	2.4
71.04981	2.7
72.08134	3.1
74.06052	1.2
75.68514	0.8
77.03959	0.7
79.05488	12.0
81.03406	2.8
81.07055	6.4
83.04980	14.6
84.04538	1.6
84.08128	2.1
85.02910	5.8
85.06536	1.3
86.09679	4.0
91.03947	1.0
91.05466	7.5
93.07043	12.7
95.04964	6.5
95.08594	3.0
97.02875	4.0
97.06529	15.6
99.04465	4.2
104.95463	0.7
105.07030	19.8
107.04951	10.3
107.08591	13.7
109.02866	1.1
109.06509	5.7
110.07190	1.2
111.04465	0.8
115.08666	0.8
117.07025	3.6
119.04922	2.1
119.08567	5.0
120.08108	1.7
121.06500	16.0
121.10142	1.8
123.04493	0.8
123.08044	1.2
125.05988	25.0
127.03921	1.6
129.06944	1.9
129.10196	1.6
130.07753	1.2
131.08546	4.9
133.06465	5.2
133.10139	2.4
135.08069	2.4
135.11707	4.5
136.07584	1.2
137.05972	3.0
139.07556	4.9
141.06960	0.9
143.07037	35.5
143.08516	2.2
144.09326	1.3
145.02823	2.0
145.04929	2.5
145.06482	3.1
145.10123	35.9
147.07968	1.1
147.11659	4.7
149.05957	1.2
151.07533	5.9
154.07724	1.4
155.08498	0.7
157.08691	1.3
157.10019	0.9
158.07265	1.5
159.08022	3.2
159.11690	12.1
161.09595	0.9
161.13239	1.1
163.06050	1.7
163.11177	100.0
168.10173	1.0
169.10095	4.8
171.11658	1.6
172.08830	0.9
173.06050	0.9
173.09613	30.6
175.11052	0.7
177.05434	3.6
177.12758	3.9
178.05800	1.8
179.08469	1.2
181.12242	0.9
183.14964	0.7
187.11169	22.1
189.12680	3.9
191.10660	20.8
197.09572	4.2
205.12238	24.7
207.13748	1.0
209.11696	3.2
215.10672	24.2
215.12750	1.3
229.11839	1.4
233.11714	85.1
234.12062	0.8
251.12776	23.8
269.13846	30.1
303.04965	3.5
413.18112	1.2
449.29846	0.8
579.98694	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	610.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41633	1.8
55.01852	2.8
55.05500	4.7
56.05026	2.2
58.94404	1.7
60.04507	3.4
61.02907	1.7
62.12037	1.7
62.12364	1.7
67.05492	5.8
69.03431	6.9
69.07057	8.8
69.80872	11.1
70.06580	24.0
71.04979	4.9
72.08145	8.0
76.02220	2.7
79.05485	17.2
81.03408	6.3
81.07052	20.4
83.04960	14.8
84.04491	4.9
84.08134	9.9
85.02883	11.9
85.72049	1.7
86.06068	2.3
86.09702	19.5
88.49165	1.6
91.05450	11.5
93.07027	31.6
95.04964	12.1
95.08611	13.3
97.02892	6.7
97.06524	20.3
99.04454	6.4
105.07023	34.7
107.04965	13.9
107.08583	18.9
109.02865	2.7
109.06500	13.2
109.10116	2.5
110.07098	2.9
111.08080	3.1
117.07034	5.6
119.04924	11.3
119.08560	12.0
120.08077	5.1
121.05672	2.6
121.06495	30.1
121.10101	3.7
123.31995	2.1
125.05988	25.5
127.03954	2.5
128.06177	2.0
129.10204	7.4
131.08595	9.6
131.68674	1.7
133.06496	5.4
133.10146	3.2
135.04366	3.7
135.08028	7.0
135.11664	9.1
136.07574	11.0
137.05974	12.6
139.07547	6.7
141.07030	2.4
143.07024	15.1
143.08517	4.9
144.09334	2.9
145.02818	2.4
145.06464	7.5
145.10118	50.8
147.08054	2.7
147.11674	6.3
149.05986	3.3
149.09726	2.1
150.59172	1.7
151.07538	3.3
152.07076	2.3
154.07777	4.9
155.07140	2.0
155.08452	4.7
157.08594	7.5
158.07262	4.3
159.08051	6.2
159.11688	27.4
161.13266	4.4
163.07639	2.0
163.11180	69.6
164.07042	2.4
169.10143	8.5
171.11588	3.6
172.08800	2.1
173.09615	44.7
175.07352	1.9
177.05443	5.5
177.12772	4.8
179.08578	5.1
181.12190	15.6
187.11171	44.0
189.12813	4.9
191.10631	13.2
197.09657	15.4
205.12236	20.2
207.13820	3.8
209.11716	5.7
215.10658	44.9
223.13370	2.1
227.12791	10.8
233.11707	89.3
251.12782	100.0
269.13821	27.3
279.12451	2.1
287.05493	13.6
420.22635	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	609.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.0
55.05508	13.5
56.05008	6.7
60.04537	5.3
61.02923	6.0
63.98269	4.3
67.05498	20.3
69.03426	14.7
69.07060	21.4
69.40503	39.6
69.77805	4.6
70.06592	72.2
71.04977	5.1
72.08154	32.4
72.48058	5.4
74.06064	8.5
77.69074	4.7
79.05503	11.0
81.03416	9.4
81.07066	51.7
83.06098	5.5
83.08600	6.5
84.04492	25.4
84.08144	37.9
85.02900	13.7
86.09706	100.0
87.10041	9.7
91.05486	20.3
93.07047	35.5
95.04967	14.9
95.08608	41.4
97.02888	7.8
97.06541	5.1
99.04452	7.2
101.07126	6.2
102.05558	7.1
105.07017	22.6
107.04939	7.9
107.08589	18.1
109.06548	5.3
109.10151	35.9
110.07163	25.3
119.04935	6.5
119.08571	14.8
120.08097	34.5
121.06483	9.9
121.10151	20.6
123.11703	22.1
127.03889	6.5
129.10246	24.4
130.04980	5.0
131.08583	9.7
133.10097	10.2
135.11694	13.8
136.07585	13.5
137.05971	17.9
137.13170	7.4
139.11188	6.1
145.02858	18.4
145.10193	6.4
147.11664	8.9
149.13274	12.3
151.11182	6.7
152.07065	7.7
153.61772	4.9
156.07651	23.8
159.09227	10.7
159.11722	6.5
167.06993	28.0
175.14859	5.8
177.05473	15.0
181.05025	13.1
191.06917	8.0
215.17882	5.4
249.09732	4.7
271.24200	11.5
289.25189	12.2
323.08826	6.1
325.27448	8.4
329.11334	8.6
341.22614	6.4
475.68350	5.0
577.21381	6.1
609.22125	8.3
609.37909	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	609.451
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
52.35414	1.0
53.03922	2.0
55.01854	1.6
55.05507	13.1
57.03432	2.5
57.07063	1.5
67.05499	25.8
69.07056	12.9
69.38652	9.8
71.04969	1.5
79.05489	15.5
81.06597	1.6
81.07051	27.2
83.04981	1.1
83.08620	7.6
89.34294	1.0
91.05463	15.7
92.85309	1.0
93.07048	16.7
95.04934	2.3
95.08597	19.2
97.06551	2.4
97.10169	2.2
98.21448	2.4
105.07025	12.1
107.08575	12.3
109.10149	8.6
111.11673	1.3
117.06998	8.6
119.08570	16.2
121.10165	5.8
123.08061	1.2
123.11720	2.9
125.09626	1.7
128.06218	2.9
129.07001	9.5
131.08557	15.8
133.10107	11.8
135.11708	6.0
141.06995	4.6
142.07776	2.4
143.08548	13.5
145.10112	16.9
147.11687	5.5
149.09584	1.3
149.13263	2.2
153.06960	1.9
155.08549	9.0
156.09325	1.6
156.20995	1.0
157.10114	14.0
159.11667	11.2
161.13232	2.5
165.07022	1.6
167.08528	4.9
168.09367	2.8
169.10135	14.3
170.10764	1.1
171.11678	9.9
173.13167	5.6
175.14799	2.4
179.08595	3.5
180.09409	1.2
181.10143	6.7
182.10777	1.2
183.11665	14.5
185.13239	6.0
187.14850	3.2
189.16469	1.1
193.10173	2.4
195.11658	7.9
196.12498	1.7
197.13240	10.2
199.14873	4.0
201.16379	1.5
207.11665	3.3
209.13246	7.9
210.48346	1.1
211.14758	8.1
211.63353	1.0
213.14719	1.3
213.16388	5.2
221.13229	3.7
223.14740	5.5
225.16446	3.6
227.17946	3.4
235.14851	1.8
237.16409	4.4
239.17982	4.6
241.19592	1.4
247.14856	1.1
249.16328	1.9
251.17984	3.0
253.19440	1.9
257.19144	2.1
263.18051	1.7
275.20068	3.2
279.21011	1.2
291.20715	1.0
307.23978	1.1
313.21524	1.7
323.23715	2.2
327.23080	1.2
341.24951	1.3
355.26331	1.6
365.28339	1.3
367.26364	1.4
421.31070	1.3
435.32410	1.3
437.34201	1.2
447.32800	1.4
461.34125	1.5
499.39783	2.2
517.40271	12.4
535.41589	8.5
555.42261	1.4
573.42700	2.9
591.43896	12.9
609.45038	100.0
610.45197	5.6
631.30487	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	608.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
54.63631	1.4
55.05502	5.8
57.03421	2.1
57.07068	2.1
59.42027	1.3
67.05495	5.6
67.36674	1.3
67.71579	1.2
69.03430	3.0
69.07050	9.8
70.06588	7.2
70.14068	3.7
72.08148	1.9
79.05476	2.9
81.03407	2.1
81.07047	13.9
81.13511	1.3
83.04958	1.7
83.08610	3.1
84.04496	2.1
84.08127	3.7
85.02886	2.3
86.09716	5.1
91.05483	14.1
93.07043	100.0
95.04951	7.4
95.08607	10.1
97.02907	1.4
97.06528	2.4
101.07177	1.5
105.01880	3.0
105.04575	1.6
105.07025	6.0
107.08609	7.3
109.06481	1.6
109.10141	6.2
111.08076	2.1
119.08582	3.9
120.08080	4.6
121.06490	1.9
121.10144	8.3
123.11737	5.1
125.09608	1.9
127.03905	2.6
129.10272	1.8
133.10147	5.2
135.04456	1.3
135.11688	2.5
137.06064	2.0
137.13257	2.6
145.10147	3.0
147.11620	2.5
149.13257	4.6
150.34666	1.9
152.07053	2.0
159.11687	2.2
161.13271	2.2
163.14854	2.0
164.07076	1.9
164.73187	1.5
167.07022	2.1
175.14783	2.3
177.05530	1.7
181.05000	1.8
183.29715	1.6
193.97745	1.4
195.17473	3.0
209.18997	4.1
215.17986	2.6
217.83119	1.4
271.24167	7.1
289.25238	18.6
291.88791	1.5
307.26291	26.8
378.74585	1.6
608.20978	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	609.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01856	1.8
55.05492	0.6
55.30641	0.5
57.03418	1.2
57.07081	0.5
60.27670	0.4
61.02903	1.1
67.05485	1.5
68.99757	0.7
69.03427	5.1
69.07048	1.5
69.67188	2.6
69.67603	1.2
70.06577	2.3
71.04985	0.8
72.08146	0.8
73.02904	1.7
79.05492	7.0
81.03415	7.0
81.07050	3.2
83.05978	0.5
83.08599	0.8
84.04491	1.1
84.08125	1.5
85.02441	0.7
85.02904	8.4
86.09676	1.7
87.00835	3.0
91.05454	2.4
93.07052	3.1
95.04955	3.0
95.08581	2.1
97.02853	3.4
97.06464	0.7
99.04434	1.7
103.05444	1.0
105.01842	2.0
105.03391	0.7
105.07013	1.8
107.04950	65.4
107.08571	1.2
107.42402	0.5
109.02882	4.7
109.10135	1.6
113.58877	0.5
117.01837	0.9
119.04910	1.4
119.08549	1.6
120.08078	1.1
121.02901	0.8
121.06493	1.8
121.10110	1.6
123.11668	0.9
127.03906	6.1
129.10254	0.8
131.04916	12.2
131.08563	0.8
133.02829	1.3
133.06453	1.3
135.03412	1.0
135.04399	15.1
135.09012	0.5
135.11586	0.7
136.05164	0.7
137.06023	0.7
145.02907	0.7
145.04929	1.6
145.06332	0.5
145.10109	0.8
147.04448	0.7
147.11697	0.6
149.06049	0.7
149.13251	0.6
151.07524	1.1
153.05473	0.9
159.02919	3.1
159.11533	0.8
163.03900	1.5
166.06232	1.7
167.07054	1.3
168.87823	0.6
175.03850	1.1
176.04680	1.6
177.05472	1.6
178.06271	6.2
179.03362	7.6
179.06978	1.0
181.04956	1.3
181.08565	1.4
182.05731	0.7
191.03343	2.7
193.04964	4.4
194.05740	43.5
195.02841	0.6
195.06158	0.9
195.08141	0.6
196.03613	1.0
197.08096	1.0
203.03400	1.4
204.04170	1.9
206.05760	2.9
207.02884	2.4
209.06146	0.8
209.08093	15.6
210.05258	0.8
211.06001	7.6
221.04393	1.5
221.07994	3.4
222.05235	3.9
223.07578	1.3
225.07590	2.4
231.04994	0.7
237.07553	17.7
249.07571	2.9
251.07082	0.7
267.06393	1.5
267.08713	1.3
277.22382	0.6
279.06451	5.2
289.25198	0.7
292.07126	1.1
293.08047	0.6
294.05579	0.7
294.08826	14.5
295.05954	4.2
297.11282	3.0
307.26163	0.9
309.07468	0.6
310.08255	3.2
315.12216	3.4
316.12613	0.5
325.10690	24.0
325.27179	0.7
326.10916	1.1
343.11746	100.0
344.12042	3.2
361.12817	21.8
609.28961	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	608.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01873	1.5
55.05509	5.2
57.03431	1.6
57.07090	3.7
57.07330	0.7
59.04994	1.1
65.03924	1.2
67.05503	8.8
69.03422	3.2
69.07067	19.1
69.85952	3.7
70.06570	1.3
71.04986	2.0
71.08611	0.8
79.05485	4.1
81.03419	2.5
81.07053	23.9
83.08617	10.7
84.04500	1.0
84.58646	0.8
85.02890	5.6
85.06541	1.6
85.10194	1.3
86.09713	1.3
87.00822	1.7
87.04453	0.7
91.05470	12.3
93.07040	100.0
95.04969	16.5
95.08608	19.3
97.02882	2.7
97.06523	3.5
97.10150	4.4
99.04430	1.0
99.08097	1.1
105.01858	2.1
105.04505	1.7
105.07034	6.6
107.08599	9.6
108.35696	0.8
109.02870	1.5
109.06536	4.6
109.10147	20.6
111.08072	11.7
111.11729	2.3
113.09628	0.9
119.08588	4.3
121.06499	1.8
121.10136	12.8
123.08067	2.3
123.11698	9.6
125.09633	2.4
127.03926	3.2
131.08566	1.1
133.10121	3.1
135.11703	3.8
137.13248	2.6
139.11194	4.6
143.64407	0.8
145.05000	2.1
145.10155	2.6
147.04399	0.8
147.11684	4.8
149.06146	0.7
149.09608	1.9
149.13245	6.3
151.11244	1.8
159.11714	3.3
161.13269	3.5
163.11224	1.2
163.14833	1.7
165.12683	1.4
167.10683	1.0
167.14314	2.2
173.11798	0.8
173.13216	1.7
175.14828	2.5
177.12790	1.3
177.16447	1.6
179.05464	0.7
179.17886	1.5
187.14812	1.2
189.16397	1.6
195.17525	2.8
197.18958	0.8
201.16396	0.8
203.17935	1.0
209.18977	3.5
215.18013	1.6
217.19673	0.9
231.05089	1.2
235.20467	1.1
259.24203	1.1
271.24191	6.9
273.75436	0.8
277.25320	1.5
289.25256	14.5
295.26324	11.2
307.26318	16.9
325.27371	56.3
429.21307	1.0
598.47620	0.9
608.35181	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	608.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
53.50486	2.3
55.01873	3.1
55.05502	18.3
57.03429	4.4
57.07070	9.0
67.05504	30.2
69.03432	16.8
69.07070	41.6
69.07435	4.7
69.43006	3.6
69.43344	20.9
70.06589	5.9
71.05006	12.1
71.08639	5.0
77.03938	3.3
79.05495	20.4
81.03418	8.0
81.07059	100.0
83.08627	15.1
84.08153	3.7
85.02896	20.5
85.06532	4.3
86.09698	4.9
87.00829	12.4
91.05489	13.7
91.05961	2.3
93.06490	5.3
93.07042	75.3
95.04977	13.3
95.08606	63.8
95.09187	4.5
97.02887	8.0
97.06532	11.4
97.10178	6.4
99.04462	8.2
105.01864	23.5
105.07026	25.6
107.04958	3.3
107.08591	48.4
109.02843	3.9
109.06504	7.5
109.10151	50.0
109.10847	4.0
109.57391	2.5
110.07117	3.2
111.08071	8.4
111.11761	3.9
117.07006	3.1
119.08572	19.3
121.10125	35.1
123.08064	2.8
123.11705	33.6
125.09700	2.4
126.47169	2.3
127.03897	17.1
131.08586	8.5
133.10127	14.7
135.11685	30.8
137.09644	3.0
137.13263	17.8
139.11212	4.2
145.04941	4.2
145.10129	10.0
147.11671	13.5
149.13249	19.3
151.11165	9.3
153.12784	12.1
159.02892	2.9
159.11696	20.0
161.13258	12.2
163.11160	13.7
163.14838	7.6
163.97723	2.5
165.12747	5.8
173.13226	6.4
175.14841	8.7
177.12697	4.1
177.16371	4.9
179.14276	2.8
181.12250	11.1
187.14890	4.9
189.03995	2.7
189.16418	4.0
191.17964	5.2
201.16377	4.6
203.10497	2.4
203.17880	2.6
207.17349	4.2
209.19087	3.7
215.18001	8.3
219.21266	2.9
229.19588	3.9
233.98798	2.7
249.06032	7.1
261.25705	4.8
271.24127	22.4
289.25259	56.9
307.26288	42.6
313.53506	3.2
394.05383	2.8
398.08392	2.8
444.63489	2.8
537.30530	4.3
608.34564	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	607.2914
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
64.29688	0.4
80.47303	0.4
97.62640	0.5
102.81529	0.4
110.62834	0.5
146.73605	0.8
229.82571	0.4
293.03769	0.5
389.17667	1.1
401.17789	0.6
402.18594	1.6
403.19073	3.3
404.19861	0.9
405.20813	1.4
414.00186	0.6
415.19489	0.8
416.20306	1.0
417.21136	3.3
418.21796	2.1
419.22238	2.3
429.21039	0.7
430.17514	0.7
431.18167	6.1
432.19443	1.5
433.23920	8.7
434.24774	0.9
445.19809	8.8
446.20737	4.0
447.21756	3.0
457.20129	0.6
458.20615	0.7
459.21524	4.3
460.22464	12.0
461.23322	14.2
462.23837	0.5
473.23532	3.4
474.24127	1.4
487.25034	1.8
488.25482	0.6
489.22876	0.6
491.24869	0.7
492.25146	0.9
505.22476	2.1
506.27158	0.6
515.24847	0.7
519.24365	0.8
519.28448	1.1
532.24231	1.1
547.27020	45.3
548.27386	2.0
575.26666	1.7
579.29352	1.1
607.29114	100.0
608.29535	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	607.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.8
53.03943	4.2
55.01854	1.7
55.05509	7.8
56.05058	2.3
56.30602	1.2
56.96566	1.0
57.03442	1.9
57.07066	1.9
61.02953	1.1
67.05508	10.3
69.03421	5.7
69.07069	29.6
70.06593	41.7
71.04983	2.9
71.06908	1.9
71.55419	1.1
72.08157	14.3
74.02460	1.9
74.06074	1.1
75.43658	1.0
77.03921	1.7
79.05488	7.8
81.03411	3.3
81.07056	40.1
81.07539	2.0
83.04974	1.8
83.08627	5.1
84.04510	6.0
84.08137	10.8
85.02905	6.4
85.06538	2.7
86.09705	25.9
87.00807	1.8
87.05576	1.8
88.04011	1.9
91.05473	17.3
91.77174	1.1
93.07041	100.0
95.04966	16.5
95.08602	24.8
96.08951	1.2
97.02887	2.8
97.06537	4.2
97.10165	2.8
98.06064	2.0
102.05559	5.4
103.05463	6.0
105.01858	1.4
105.04529	2.0
105.07036	12.4
107.04961	1.3
107.08595	16.1
109.02850	1.7
109.06509	7.5
109.10156	17.1
110.07154	9.0
111.08083	5.8
111.11749	1.7
112.08719	1.4
115.08697	1.4
116.03439	1.6
117.03386	1.9
117.07005	1.6
119.04940	2.1
119.08595	9.4
120.08099	65.8
121.08453	6.2
121.10140	30.5
123.08035	2.8
123.11701	56.4
125.09620	5.8
126.05488	1.7
127.03893	4.8
127.07545	1.8
129.10240	7.1
131.04918	1.1
131.08592	3.5
133.10153	5.7
134.04494	3.4
135.04465	1.2
135.08060	1.2
135.11679	9.2
136.07579	12.1
137.09604	2.6
137.13226	2.0
139.11186	7.8
141.10229	1.5
143.08588	1.3
143.11850	1.3
145.02866	5.6
145.10115	7.3
147.11693	6.5
149.09628	4.7
149.13240	8.7
151.11179	3.2
152.07045	1.6
153.12766	1.2
155.08131	1.2
157.10086	3.3
159.11653	7.1
161.13231	5.1
162.09088	1.7
163.03925	3.0
163.11214	2.0
163.14793	1.6
165.12708	1.4
167.07054	2.5
167.10654	6.4
171.11565	2.0
173.13231	3.0
175.14833	3.7
177.05510	8.8
177.12790	2.2
177.16396	2.7
179.14291	1.2
183.14972	4.1
185.11694	2.6
185.13191	1.3
185.16473	4.0
186.08835	1.4
187.14822	2.0
189.16449	3.7
199.14842	2.5
201.16382	3.1
203.17929	1.4
205.15862	2.1
207.11232	1.9
207.17476	4.3
211.14470	1.1
213.16339	4.4
215.17914	1.7
217.09767	4.5
219.17485	1.2
227.17995	1.5
231.17451	2.2
235.11925	1.9
267.19534	1.3
269.22638	8.7
275.23630	2.6
281.11270	3.0
287.23679	11.5
293.24756	3.1
305.24716	15.9
323.25790	15.4
341.26895	11.6
343.70157	4.0
346.13971	2.5
355.11395	2.2
360.14517	2.1
364.14944	2.7
432.15186	1.4
497.71808	1.1
501.09387	1.0
607.22693	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	607.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.8
53.03943	4.2
55.01854	1.7
55.05509	7.8
56.05058	2.3
56.30602	1.2
56.96566	1.0
57.03442	1.9
57.07066	1.9
61.02953	1.1
67.05508	10.3
69.03421	5.7
69.07069	29.6
70.06593	41.7
71.04983	2.9
71.06908	1.9
71.55419	1.1
72.08157	14.3
74.02460	1.9
74.06074	1.1
75.43658	1.0
77.03921	1.7
79.05488	7.8
81.03411	3.3
81.07056	40.1
81.07539	2.0
83.04974	1.8
83.08627	5.1
84.04510	6.0
84.08137	10.8
85.02905	6.4
85.06538	2.7
86.09705	25.9
87.00807	1.8
87.05576	1.8
88.04011	1.9
91.05473	17.3
91.77174	1.1
93.07041	100.0
95.04966	16.5
95.08602	24.8
96.08951	1.2
97.02887	2.8
97.06537	4.2
97.10165	2.8
98.06064	2.0
102.05559	5.4
103.05463	6.0
105.01858	1.4
105.04529	2.0
105.07036	12.4
107.04961	1.3
107.08595	16.1
109.02850	1.7
109.06509	7.5
109.10156	17.1
110.07154	9.0
111.08083	5.8
111.11749	1.7
112.08719	1.4
115.08697	1.4
116.03439	1.6
117.03386	1.9
117.07005	1.6
119.04940	2.1
119.08595	9.4
120.08099	65.8
121.08453	6.2
121.10140	30.5
123.08035	2.8
123.11701	56.4
125.09620	5.8
126.05488	1.7
127.03893	4.8
127.07545	1.8
129.10240	7.1
131.04918	1.1
131.08592	3.5
133.10153	5.7
134.04494	3.4
135.04465	1.2
135.08060	1.2
135.11679	9.2
136.07579	12.1
137.09604	2.6
137.13226	2.0
139.11186	7.8
141.10229	1.5
143.08588	1.3
143.11850	1.3
145.02866	5.6
145.10115	7.3
147.11693	6.5
149.09628	4.7
149.13240	8.7
151.11179	3.2
152.07045	1.6
153.12766	1.2
155.08131	1.2
157.10086	3.3
159.11653	7.1
161.13231	5.1
162.09088	1.7
163.03925	3.0
163.11214	2.0
163.14793	1.6
165.12708	1.4
167.07054	2.5
167.10654	6.4
171.11565	2.0
173.13231	3.0
175.14833	3.7
177.05510	8.8
177.12790	2.2
177.16396	2.7
179.14291	1.2
183.14972	4.1
185.11694	2.6
185.13191	1.3
185.16473	4.0
186.08835	1.4
187.14822	2.0
189.16449	3.7
199.14842	2.5
201.16382	3.1
203.17929	1.4
205.15862	2.1
207.11232	1.9
207.17476	4.3
211.14470	1.1
213.16339	4.4
215.17914	1.7
217.09767	4.5
219.17485	1.2
227.17995	1.5
231.17451	2.2
235.11925	1.9
267.19534	1.3
269.22638	8.7
275.23630	2.6
281.11270	3.0
287.23679	11.5
293.24756	3.1
305.24716	15.9
323.25790	15.4
341.26895	11.6
343.70157	4.0
346.13971	2.5
355.11395	2.2
360.14517	2.1
364.14944	2.7
432.15186	1.4
497.71808	1.1
501.09387	1.0
607.22693	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	605.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49924	0.2
53.03947	2.8
55.01863	0.6
55.05513	0.3
56.05014	0.4
60.04527	0.4
61.02896	0.3
62.46909	0.3
62.89708	0.2
65.03942	0.6
67.05501	0.4
68.99796	0.5
69.03432	3.5
69.07049	0.6
69.63692	0.6
69.64111	1.0
70.02982	0.3
70.06599	6.6
71.04994	0.7
71.06929	0.5
72.08163	2.3
73.02906	0.6
74.06084	0.5
79.05495	0.7
81.02940	0.4
81.03416	4.7
81.07068	0.3
84.04510	0.7
84.08147	1.4
85.02903	3.4
86.09707	4.0
87.00826	3.2
89.03908	1.6
91.05484	1.1
93.07045	0.8
94.06564	1.3
95.04928	0.4
95.07333	0.6
96.08126	1.4
97.02895	5.9
99.04471	1.3
102.05549	0.3
103.05491	0.3
105.01860	2.4
107.04942	0.6
108.08108	2.4
109.02879	9.9
110.07163	1.0
110.09686	2.8
112.08731	0.3
116.04978	5.6
118.06519	0.4
119.04937	0.3
120.04521	0.3
120.08112	3.7
122.06029	7.0
123.71033	0.3
124.07590	0.5
127.03921	7.5
127.08620	0.4
129.01833	0.4
129.10234	1.1
130.04974	0.3
130.06555	0.3
132.08116	0.4
134.06021	0.8
135.04453	0.3
136.07576	7.4
136.08585	0.6
137.05984	0.8
138.05507	0.6
138.09134	3.8
144.04446	13.2
145.02747	0.3
145.04912	1.4
146.06020	2.0
147.04497	0.3
148.03952	0.3
148.07591	2.4
150.09138	0.8
152.07068	0.9
159.02901	0.3
160.03931	0.3
162.05510	5.7
163.03891	0.5
164.07039	0.4
166.07216	0.4
166.08640	12.2
172.03935	59.2
173.04280	0.9
174.05525	1.4
176.07083	0.4
177.05551	0.3
178.08620	1.5
190.04987	7.1
192.06572	0.6
197.10678	0.3
204.06561	100.0
205.06882	1.6
206.08112	0.6
208.09772	0.4
213.03888	0.4
222.07608	2.5
224.00456	0.3
229.15587	0.3
247.10707	0.6
250.10709	0.3
251.11800	0.5
279.11362	0.6
281.12683	0.4
283.10880	0.4
297.12244	0.8
307.10236	0.3
311.13797	1.0
325.11880	2.2
329.15012	1.9
339.13412	5.4
343.12961	1.5
349.13702	0.3
357.14447	16.3
358.14484	0.4
371.15826	0.5
391.14801	0.4
420.09070	1.0
430.95932	0.3
433.15933	1.2
451.17068	1.1
520.46509	0.3
555.15765	0.4
559.18933	0.4
573.16974	1.0
605.17700	2.1
605.34583	0.6
605.85956	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	607.2549
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.43632	0.4
68.47781	0.4
71.30928	1.1
81.07031	0.8
95.08587	0.6
119.08723	0.6
122.17226	0.4
134.74159	0.4
188.23096	0.5
221.10934	0.4
374.15729	0.7
375.16043	1.0
388.16858	0.6
389.17786	3.0
390.18286	0.7
391.19141	1.1
401.18036	0.8
402.18442	1.0
403.19452	4.4
404.19962	1.9
405.20682	3.2
416.16367	1.5
417.16135	4.0
417.21167	2.0
418.17239	1.0
418.21805	1.2
419.22345	5.6
420.23279	0.7
430.17767	0.5
431.18240	7.3
432.19006	3.4
433.20029	3.6
445.20276	5.1
446.20944	7.8
447.21661	8.8
448.22739	0.7
458.21176	0.7
459.21710	2.1
460.18613	0.7
461.19882	1.7
462.24319	0.9
463.20728	0.9
473.24292	0.8
474.20438	5.7
475.20926	4.3
477.22943	0.9
478.23495	1.1
487.21277	1.5
490.23697	0.8
491.20096	2.3
501.22525	0.8
505.22433	1.1
508.43771	0.5
509.36166	0.5
519.24066	15.8
520.24207	1.0
547.23322	12.5
548.23834	0.6
579.26031	6.0
607.25482	100.0
608.25897	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	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
70.86281	0.9
70.86661	0.3
74.43079	0.4
96.34319	0.4
149.22702	0.4
162.80225	0.4
209.10649	0.5
370.31729	0.5
388.16739	0.6
389.17596	1.9
389.73187	0.5
402.18216	1.6
403.19141	3.9
404.19809	1.3
405.20767	2.4
415.14902	0.7
415.19730	0.6
416.19858	1.5
417.16306	1.5
417.21399	5.6
418.21814	2.7
419.22354	4.6
430.17697	1.4
431.18170	14.1
431.23465	0.6
432.18381	3.3
432.24084	1.1
433.23984	20.5
434.24683	4.1
444.19229	1.0
445.19781	14.2
446.20804	10.3
447.21622	11.8
449.23297	1.2
457.20181	0.8
458.20541	0.6
459.21539	12.1
460.15720	0.9
460.22455	39.1
461.23303	42.1
462.24466	2.1
473.23541	10.8
474.24115	4.3
477.22873	1.8
487.25003	6.3
488.25427	1.7
489.22745	0.5
491.20090	1.3
491.24426	1.7
492.25156	3.7
493.25912	0.6
501.22849	0.5
504.25385	0.7
505.21759	10.5
506.26727	1.5
515.24097	2.3
518.23230	1.7
519.24213	5.9
519.27045	5.2
532.24622	3.5
533.25519	1.6
543.24261	0.5
547.27020	100.0
548.27563	3.4
549.24957	0.5
564.27179	0.8
575.26617	1.9
578.25488	1.4
579.29517	1.6
592.26532	0.7
607.29095	94.3
608.29584	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	602.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42290	0.8
51.82849	0.7
55.01854	1.5
55.05507	4.1
57.07064	1.2
58.99574	0.9
66.71720	0.8
67.05509	6.8
69.07057	3.0
70.06582	2.0
70.89272	1.1
70.89610	1.7
74.00658	2.3
76.02226	1.9
79.05492	3.8
79.50670	0.9
80.05015	1.7
81.07054	18.0
83.04946	1.2
83.06085	1.4
83.08600	3.3
84.04523	4.4
84.08126	0.9
85.06564	0.9
85.10174	2.2
86.00669	1.2
89.51893	0.8
91.05481	3.4
93.07053	7.3
95.04943	1.5
95.08612	11.0
97.01096	0.9
97.06535	1.8
97.10177	0.8
99.01408	1.2
100.02193	3.1
105.07032	4.8
107.08572	3.4
109.06533	1.3
109.10135	2.5
111.08065	2.8
112.02174	1.6
113.09612	1.2
114.03752	6.3
116.01670	3.7
117.06886	0.9
119.08566	2.2
121.10120	2.7
123.08062	1.0
129.06610	2.3
130.04965	1.3
131.08527	1.7
133.10075	2.1
135.11661	1.7
137.11966	1.0
145.06233	0.9
147.11681	2.8
149.13268	1.9
153.12671	1.4
159.11710	0.9
161.13145	0.8
162.02182	1.2
163.11194	1.0
164.14429	0.9
165.12715	2.7
168.08458	0.9
169.09207	1.3
170.09987	59.9
173.13283	2.3
175.14856	0.9
181.06000	1.5
185.03842	1.5
189.03378	1.1
191.14296	1.3
209.15358	2.1
211.10803	1.0
215.04810	3.0
216.05663	3.3
226.11302	1.1
231.04355	3.2
271.11124	1.1
272.11908	11.6
273.12674	2.2
277.21597	8.5
295.22653	2.7
321.26672	0.9
334.21902	2.2
335.20218	3.1
336.99432	0.9
352.23090	15.4
353.21365	1.8
370.24124	6.6
380.22568	1.8
437.24640	1.3
455.25739	100.0
456.26328	1.1
527.27911	4.5
602.31171	4.5
623.66058	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	604.369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
59.06455	0.7
61.52087	0.6
63.78085	0.6
67.05477	1.1
69.03419	1.6
69.07043	1.3
70.06577	2.8
71.04990	0.9
71.08629	5.6
71.12852	1.2
72.08136	1.7
79.05486	2.0
81.07061	4.6
83.08599	0.8
84.04512	0.7
84.08131	1.7
85.02902	1.2
85.06527	0.7
86.06069	4.5
86.09706	0.8
91.05455	1.0
92.17662	0.8
93.07023	0.9
95.08591	2.4
96.08115	2.9
97.02859	1.1
98.06053	1.1
98.09692	3.4
99.08082	2.9
105.07023	1.7
108.08109	1.8
116.10724	17.1
119.08530	0.8
121.10146	0.9
122.09666	1.3
123.08029	0.7
123.11647	0.7
127.03946	1.0
136.11166	0.7
139.36407	0.6
143.10681	2.5
147.11650	2.6
151.36801	0.7
154.15849	3.4
156.12952	0.8
157.10121	1.3
159.95316	0.7
166.15875	2.3
175.11276	0.7
178.15955	1.1
196.16989	7.7
214.18007	100.0
215.18335	1.6
216.34842	0.7
229.14221	1.7
230.28183	0.7
242.91612	0.7
308.22241	0.7
326.23169	1.4
344.24347	10.0
345.18463	0.8
376.23318	2.4
442.31625	11.9
495.29959	0.8
506.29337	1.7
586.97192	0.7
604.37134	3.2
604.77979	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.0
55.01851	3.7
55.05499	13.0
57.07059	13.1
59.04990	4.7
67.05507	34.7
69.03409	12.6
69.07055	21.6
69.84763	4.9
69.85177	16.6
79.05076	3.5
79.05490	36.0
81.03392	3.3
81.07052	37.1
83.04967	12.4
83.08597	11.3
85.06542	8.6
87.04451	10.3
89.06012	11.5
91.05466	49.2
93.07035	56.8
93.19573	3.5
95.04986	19.7
95.08596	39.5
97.06511	8.1
97.10189	3.3
101.64603	3.3
105.07024	74.3
107.08582	52.2
109.06529	16.1
109.10159	28.4
111.08097	4.7
115.05423	4.2
117.06992	15.3
119.08575	72.7
119.09393	7.4
121.06509	9.8
121.10136	49.5
123.08047	26.8
123.11712	10.0
125.05991	5.5
125.09615	6.9
128.06241	5.6
129.07016	17.9
130.07764	7.5
131.08551	36.2
133.06499	3.6
133.08662	5.4
133.10118	44.5
135.08037	15.1
135.11678	15.9
137.09587	14.0
139.11090	6.5
141.06972	7.4
142.07803	16.8
143.08543	32.1
144.09329	6.9
145.10124	57.0
147.08060	24.5
147.11664	16.7
149.09593	12.3
149.13216	4.0
151.07497	14.7
155.08530	15.3
156.09351	9.1
157.10139	40.4
158.10864	4.2
159.11702	30.6
161.09593	11.5
161.13242	9.3
163.11169	9.1
165.06929	3.9
165.09106	41.4
167.08482	8.2
167.10658	26.8
168.09360	4.7
169.10117	17.6
170.10867	9.8
171.11681	26.8
172.12277	4.4
173.09593	5.5
173.13249	11.9
175.14799	9.5
179.08652	4.5
181.10081	11.7
181.12161	12.1
182.10904	6.9
183.11664	17.6
185.13243	12.2
187.11143	4.5
187.14812	7.0
189.12714	7.9
191.14276	5.3
192.09412	5.8
193.10164	9.0
194.10832	6.4
195.11673	11.1
196.12430	7.9
197.13254	16.4
199.11111	3.9
199.14867	6.6
201.12836	5.8
203.14313	16.3
206.10936	4.4
207.11652	12.6
207.13692	5.9
208.12529	5.2
209.13326	17.8
209.15071	5.3
211.14839	13.9
215.14368	3.8
221.13266	13.2
221.15343	100.0
222.15692	3.9
223.14743	12.2
225.16405	6.7
233.13266	5.3
233.15363	13.0
235.14835	5.4
237.16374	6.7
251.17923	4.9
255.17334	4.7
257.18979	3.8
261.16321	4.4
265.19473	3.6
283.20477	3.8
287.20206	6.1
291.19662	5.8
299.20148	7.1
301.21613	3.8
310.16211	3.6
365.24576	4.6
367.26254	5.0
377.24539	3.8
433.67688	3.4
438.56668	3.4
468.79333	3.4
491.34921	8.9
521.36273	4.2
523.13318	4.0
583.41266	7.9
601.42389	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	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	4.8
58.06588	1.8
65.03918	0.9
67.05502	0.5
67.69611	0.5
69.07044	0.7
69.85695	2.7
70.06593	18.6
71.08633	3.7
72.08118	0.5
72.29974	0.4
74.06075	0.6
75.09336	0.5
81.07041	0.9
84.08123	1.0
85.02898	0.5
88.07629	22.3
102.09179	15.8
128.86028	0.4
139.03984	0.5
139.40031	0.5
146.11920	0.5
147.04424	0.8
149.02336	38.6
150.02698	0.7
156.17549	0.9
175.03902	1.1
177.05559	0.8
187.38420	0.4
191.07159	0.4
193.04961	49.8
194.05328	0.7
200.20088	53.1
201.20583	0.9
219.06506	0.5
225.05481	0.9
237.07559	12.7
244.22784	2.4
269.04413	1.4
272.18497	0.9
289.12595	0.4
293.46783	0.5
297.03934	2.4
313.07004	2.8
341.06555	10.2
359.07590	7.2
385.09161	19.1
386.09454	0.6
429.11813	30.0
430.12177	1.1
503.69028	0.7
526.24512	0.5
547.46942	0.6
584.28711	1.6
602.29572	100.0
603.30103	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	601.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31602	1.3
53.03939	2.7
55.01886	1.7
55.05508	8.4
57.07074	10.2
59.04984	1.6
67.05498	18.7
69.03418	6.2
69.03729	1.3
69.07057	9.7
70.49548	1.3
71.04991	1.4
77.78558	1.4
79.05483	11.4
81.07051	24.6
83.04961	4.4
83.08602	6.0
85.06515	1.6
87.04469	3.7
89.06026	7.2
91.05473	21.6
93.06500	2.5
93.07043	33.7
95.04948	7.3
95.08597	24.3
97.06514	5.2
105.07020	31.4
107.08593	19.8
109.06510	9.3
109.10128	13.9
111.08061	1.7
116.06244	1.5
117.07027	7.9
119.08574	36.0
121.06497	4.9
121.10123	27.4
122.10476	1.7
123.08067	12.6
123.11702	4.4
125.05949	2.0
128.06177	3.4
129.07005	7.1
130.07770	1.7
131.08562	15.1
133.06467	1.7
133.08568	3.5
133.10117	22.2
135.08041	9.7
135.11684	8.5
137.09586	10.6
139.07550	1.5
139.11124	2.1
141.06993	2.9
142.07776	7.1
143.08560	12.3
144.09323	2.7
145.06450	2.0
145.10127	29.7
147.08043	17.3
147.11681	7.6
149.09586	4.7
151.07550	10.5
153.06979	1.7
153.09125	1.9
155.08533	6.1
156.09314	4.5
157.10126	14.8
158.10873	1.6
159.08034	2.7
159.11711	16.9
161.09602	3.3
161.13254	5.2
163.11169	7.2
165.06944	3.7
165.09105	47.0
165.68834	1.5
167.08588	3.2
167.10696	1.7
168.09377	2.6
169.10178	7.5
170.10889	4.3
171.11699	11.9
173.09633	2.4
173.13208	6.9
174.10397	2.2
175.11160	4.1
175.14793	7.4
179.08556	2.3
180.09348	1.6
181.10091	3.9
181.12260	6.8
182.10898	2.7
183.11737	8.6
185.13240	6.4
187.14861	4.4
189.12662	1.8
191.14351	2.8
193.10213	1.6
193.12375	2.0
194.10957	1.8
195.11678	5.6
196.12631	1.6
197.13255	7.3
199.11215	2.2
199.14822	3.1
201.16211	1.7
203.14282	18.9
206.10727	2.1
207.11810	3.2
207.13797	6.9
208.12390	2.1
209.13202	5.8
209.15236	3.1
211.14862	3.7
213.16400	2.5
221.13475	3.9
221.15352	100.0
223.14751	3.6
224.15260	1.6
227.17809	1.9
233.13222	1.9
233.15373	2.1
235.14842	3.2
237.16447	2.1
239.17987	2.5
261.16507	1.9
265.19412	1.6
265.25308	2.4
266.25522	4.8
284.26584	1.6
286.19467	1.9
287.20209	3.6
299.19913	2.6
300.20880	2.3
301.21719	2.3
339.28918	2.4
340.29291	5.0
349.25241	1.7
358.30328	2.2
367.26096	4.5
393.28033	2.2
464.32718	1.8
491.35309	9.4
509.35983	5.7
521.35834	3.3
530.76196	1.5
565.40143	2.5
566.04413	1.5
583.41205	10.5
601.42560	29.0
602.42371	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03155	1.8
53.03939	6.3
55.01857	2.7
55.05510	15.4
57.03408	2.4
57.07072	10.1
59.04986	4.6
65.03928	6.7
67.05503	26.6
69.03424	16.9
69.07064	23.5
71.03536	6.1
75.33890	2.0
75.49737	1.9
76.09859	2.3
77.50682	1.9
79.05492	36.2
81.03384	3.1
81.07052	35.1
83.04974	18.6
83.08598	9.5
85.06544	5.9
87.04443	2.2
89.06012	2.8
91.05476	53.1
92.05788	2.3
93.07040	73.0
95.04967	25.5
95.08598	37.3
97.06546	10.8
100.40832	1.9
103.05499	2.9
105.07027	100.0
106.07327	2.6
107.04938	4.1
107.07883	4.0
107.08588	63.1
108.08901	2.0
109.06525	17.2
109.10141	23.9
111.08060	3.8
112.50896	2.4
113.09620	3.3
115.05459	5.4
116.06264	3.5
116.07045	2.2
117.07009	21.4
119.04908	2.4
119.08572	73.7
120.08878	4.0
121.06522	15.3
121.10138	68.2
122.10516	2.7
123.08062	20.2
123.11688	6.9
125.05972	5.4
125.09630	11.0
128.06236	9.9
129.06999	16.5
130.07762	8.1
131.08569	35.1
133.06453	4.9
133.10110	50.3
134.10487	2.5
135.08044	20.4
135.11697	19.5
137.09622	12.6
139.07384	2.8
139.11156	2.6
141.06973	10.2
142.07776	22.9
143.08553	34.2
144.09433	10.0
145.10121	56.3
146.07246	3.0
146.10555	2.2
147.08038	23.3
147.11693	18.1
149.09631	14.8
151.07532	12.2
151.11148	3.0
153.06944	4.0
153.09044	2.4
154.07640	2.7
155.08528	16.0
155.10648	2.4
156.09314	15.7
157.10132	48.7
158.10732	6.7
159.08047	15.1
159.11681	31.7
160.12054	3.8
161.09636	15.4
161.13225	10.2
162.09969	2.5
163.11174	12.8
165.07001	5.1
165.09108	41.4
166.07861	2.4
166.09378	2.5
167.08545	5.6
167.10667	40.0
168.09311	6.6
169.10123	25.1
170.10844	9.4
171.11681	32.4
172.12204	5.2
173.09642	5.7
173.13249	21.0
175.11174	10.8
175.14813	8.5
176.11487	2.7
177.12741	4.4
179.08536	10.2
180.09283	5.1
181.10149	15.0
181.12199	8.6
182.10890	7.2
183.11697	22.2
184.12395	3.4
185.09619	4.6
185.13220	18.0
187.11128	5.8
187.14807	8.1
189.12740	9.5
191.14322	8.3
193.10130	10.3
193.12064	2.7
194.10876	9.3
195.11729	16.9
196.12248	4.9
197.13226	16.3
199.11227	3.8
199.14867	9.8
201.12711	4.5
201.16370	4.2
203.14352	15.0
204.14607	2.8
205.10057	4.7
206.10934	4.9
207.11668	13.8
207.13753	6.5
208.12372	6.5
208.14360	2.5
209.13222	17.1
209.15366	8.4
211.11182	4.4
211.14786	17.6
212.15517	3.2
213.12735	4.8
213.16426	4.9
215.14284	3.2
217.10019	2.8
217.15913	6.5
219.11624	4.2
220.12448	5.2
221.13223	14.8
221.15305	74.4
222.13786	2.7
222.15710	7.1
223.14743	12.3
224.15292	2.7
225.16377	6.0
227.14270	4.7
229.15724	2.6
231.11699	3.9
232.12419	3.1
233.13141	6.1
233.15350	21.1
234.13857	2.9
234.15918	3.1
235.14786	6.7
237.12665	3.4
237.14609	2.8
239.17856	4.8
240.15042	2.8
243.13782	2.4
245.13199	4.3
247.14687	5.4
247.16948	4.9
249.16232	4.9
255.17316	4.2
259.14856	2.4
261.16315	4.9
263.17932	2.6
265.19543	5.6
267.17389	3.6
269.18784	3.1
275.17691	5.2
281.19003	3.0
283.20520	7.4
285.18619	3.1
286.19214	4.6
287.20023	9.5
291.21017	2.5
295.20502	2.9
299.20041	5.9
300.20883	4.4
301.21759	4.5
303.19666	3.5
311.20135	4.2
312.20850	4.1
313.21677	2.8
325.21536	3.0
338.22028	2.5
349.25186	3.9
352.23886	8.0
353.24353	11.4
365.24680	3.6
367.26324	5.1
375.26782	2.4
485.48148	2.1
491.34958	3.9
503.35388	3.1
508.35046	3.5
509.35687	4.0
521.35736	9.3
529.01611	2.1
565.40204	5.9
583.41528	9.9
601.34039	3.2
601.42456	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.05502	6.8
57.07073	8.3
59.04987	4.9
67.05492	15.3
69.03423	9.0
69.07064	6.8
74.12131	2.2
79.05495	16.1
81.07048	23.3
83.04970	3.3
83.08603	3.0
85.06519	2.9
91.05477	28.5
93.07043	39.5
95.04964	9.3
95.08598	19.5
105.07025	48.0
106.07319	3.1
107.08604	21.4
109.06515	12.0
109.10095	11.9
115.05434	3.5
117.07020	10.7
119.08578	49.2
121.06488	6.1
121.10130	22.4
123.08064	20.8
123.11703	2.5
125.06028	3.5
128.06230	4.4
129.07004	7.2
130.07800	3.4
131.08568	18.2
133.10143	26.3
135.08084	13.6
135.11688	10.8
137.09584	17.7
141.06984	4.6
142.07764	8.1
143.08569	17.5
144.09375	5.5
145.10109	31.2
146.10475	2.9
147.08058	24.6
147.11650	7.9
149.09627	6.7
151.07550	12.1
155.08527	9.8
156.09348	6.5
157.10156	22.0
158.10776	3.8
159.08041	6.2
159.11678	14.4
161.09624	5.7
161.13287	7.4
163.11179	11.5
165.09122	45.8
166.09547	4.6
169.10144	9.4
170.10849	4.3
171.11688	10.6
173.09679	4.2
173.13232	7.4
174.36197	2.7
175.11166	7.4
175.14854	5.4
179.08519	4.9
181.10094	3.9
181.12218	11.6
183.11674	9.7
185.13217	8.5
187.11191	2.9
187.14839	5.3
189.12662	3.8
193.10149	2.4
193.12186	3.8
195.11646	5.6
196.12494	4.0
197.13177	8.2
199.11343	3.0
199.14630	3.0
201.12758	3.3
201.18915	2.5
203.14313	18.0
207.11682	6.3
207.13818	6.8
208.14296	3.2
209.13205	8.3
210.13712	3.5
211.14813	7.2
221.13419	4.1
221.15358	100.0
222.15675	7.2
233.13101	3.6
234.16074	4.1
235.14688	3.5
235.16760	4.0
247.16968	7.5
248.17392	4.9
287.19995	4.6
299.20197	5.0
300.20590	5.0
301.21597	3.1
313.21796	3.0
326.22153	3.6
331.45724	2.3
340.24026	4.2
352.24026	6.0
353.24292	5.5
367.26312	8.7
393.27649	4.6
420.29895	3.0
427.28137	2.7
441.29263	6.8
491.34985	9.3
492.78403	2.4
509.35968	3.3
521.35815	11.1
583.41357	11.5
601.42334	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.05513	7.6
57.03449	1.1
57.07072	8.0
57.39668	1.0
59.04986	3.5
65.03922	2.2
67.05503	14.2
69.03431	10.2
69.07072	6.5
69.44283	8.1
77.03911	1.2
79.05493	14.7
79.76872	1.0
80.06234	1.2
81.03378	1.3
81.06605	1.3
81.07061	22.9
83.04993	4.8
83.08614	2.0
85.06537	4.9
91.04906	1.5
91.05476	26.1
91.20724	0.9
92.05804	1.3
93.07043	39.4
95.04967	10.3
95.08603	24.2
97.06523	4.0
103.05466	3.4
105.04530	1.5
105.06315	2.1
105.07029	44.8
107.04916	1.3
107.08592	23.2
109.06529	9.1
109.10166	10.8
111.08087	1.8
115.05447	1.2
117.07027	12.2
119.08582	47.7
121.06534	5.8
121.10146	24.8
122.07272	1.8
123.08069	18.4
123.11702	2.0
125.05991	4.2
128.06229	4.0
129.06999	7.1
130.07784	3.9
131.08569	18.6
132.08900	1.2
133.06465	2.9
133.10129	25.8
135.08047	13.3
135.11668	7.3
137.09608	13.4
139.07544	1.4
139.11189	1.0
141.06967	3.8
142.07799	6.8
143.08574	16.5
144.09312	4.2
145.06482	1.4
145.10121	32.3
146.10530	1.2
147.08055	24.4
147.11671	6.7
148.08409	1.2
149.09627	5.2
149.13206	1.6
151.07538	17.2
153.07050	1.5
153.09193	1.8
154.07718	1.0
155.08553	7.0
156.09306	8.2
157.10127	23.9
158.10828	3.7
159.08055	3.7
159.11690	16.4
160.08781	1.7
160.12137	1.2
161.09605	5.5
161.13260	7.6
163.11171	9.2
165.07025	2.5
165.09113	52.7
166.09511	2.4
167.08563	4.2
168.09364	2.8
168.37485	1.0
169.10106	10.9
170.10919	3.7
171.11682	11.7
172.12427	1.7
173.09639	2.4
173.13301	6.6
175.11150	3.5
175.14815	6.1
177.09111	1.5
179.08565	3.0
179.10651	1.5
180.09322	2.2
181.10136	4.6
181.12210	9.4
182.10899	2.5
183.11711	9.4
185.09595	2.0
185.13237	6.8
187.11140	2.6
187.14851	4.5
189.12735	5.0
191.10632	2.1
191.14301	3.0
193.10121	4.4
193.11992	1.7
194.10913	2.8
195.11716	9.7
195.13342	1.7
196.12453	2.8
197.13298	9.4
199.11240	2.1
199.14790	3.5
201.12698	1.2
203.14328	17.9
205.10072	1.2
205.16022	1.7
206.10829	1.3
207.11705	4.2
207.13823	7.9
209.13264	8.1
209.15144	2.3
210.10506	1.4
211.14781	4.6
212.15300	1.2
213.12755	1.9
213.16373	2.0
215.14215	1.7
220.12433	1.7
221.13344	5.8
221.15356	100.0
222.15785	6.2
223.14810	2.7
225.12813	1.6
225.16394	1.9
227.14299	2.5
231.11629	1.3
233.13339	2.0
235.14830	3.2
237.16441	1.8
239.17928	2.0
246.14006	2.0
247.14725	2.1
247.17004	3.3
249.16365	2.3
251.18034	1.5
253.15932	1.2
259.14740	1.5
265.19507	2.1
269.19012	1.3
277.19553	1.1
281.19189	1.6
283.20514	1.2
285.18655	1.4
286.19162	2.8
287.20233	5.7
299.20065	2.1
300.20752	4.1
301.21738	4.9
311.20258	1.7
313.21478	3.0
325.21780	1.1
326.22214	1.3
349.25156	1.8
352.23825	1.8
353.24869	1.2
365.24738	1.6
367.26401	8.4
375.26804	2.5
377.24576	1.0
378.25525	1.6
393.27917	3.9
428.28729	1.5
440.29361	1.8
441.29468	3.8
454.91687	1.2
455.31152	1.7
491.35257	11.0
509.36224	4.7
521.35931	3.3
565.40039	1.3
583.41492	12.1
592.75116	1.1
601.42401	36.9
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
53.03939	6.0
55.01859	3.1
55.05510	24.6
57.07079	11.1
59.04988	2.2
65.03936	5.4
67.05176	3.4
67.05502	33.2
67.71822	2.1
69.03426	19.0
69.07063	26.3
71.04987	3.4
71.26877	4.2
71.40311	2.3
74.13951	1.9
79.05489	34.0
80.11626	2.0
81.07049	44.9
83.04975	19.9
83.08612	12.6
85.06551	8.1
87.04458	5.9
89.12737	1.9
91.05473	60.0
92.05807	3.3
93.07045	80.0
94.07382	2.9
95.04981	24.0
95.08611	38.5
97.06524	13.2
99.08074	2.2
103.05468	5.0
105.04556	1.9
105.07030	100.0
106.07321	3.4
107.04933	3.1
107.08592	83.0
108.08964	3.0
109.06521	19.0
109.10159	39.4
111.08112	9.1
113.09644	5.1
115.05449	5.7
116.06291	3.6
117.07014	17.3
119.07707	4.7
119.08578	98.9
120.08916	3.8
121.06526	14.1
121.10142	90.9
122.10483	3.7
123.08070	15.8
123.11724	10.0
125.05979	4.3
125.09622	12.6
128.06239	14.4
129.07040	19.6
130.07755	7.7
131.08560	44.4
132.08986	3.9
133.06535	5.0
133.10115	62.6
135.08069	16.4
135.11687	17.4
137.09656	12.1
139.11201	6.5
141.06987	6.9
142.07799	26.0
143.08568	46.4
144.09392	9.7
145.10123	72.5
146.07318	3.1
146.10484	5.3
147.08072	14.6
147.11697	26.0
149.09630	20.9
149.13277	4.7
151.07544	5.4
151.11157	3.9
153.06979	3.3
154.07849	3.1
155.08577	19.8
155.10722	7.4
156.09352	17.7
157.10129	59.1
158.10788	8.4
159.08069	17.5
159.11685	53.2
160.12277	2.6
161.09576	12.7
161.13289	8.4
163.11189	11.7
163.14809	2.6
165.07025	6.2
165.09085	12.5
166.07788	3.2
167.08540	9.3
167.10681	64.0
167.12119	3.6
168.09361	8.5
169.10117	29.7
170.10851	9.9
171.08156	2.6
171.11687	37.5
172.08818	2.9
172.12251	6.5
173.09604	8.3
173.13243	24.7
174.13728	2.2
175.11186	13.6
175.14809	16.6
177.12737	3.8
179.08594	10.3
180.09383	5.4
181.10153	17.9
181.12300	4.8
182.10936	10.0
183.11688	31.3
184.12381	6.5
185.09668	4.0
185.13290	22.1
186.10623	2.0
186.13908	2.8
187.11194	6.5
187.14810	11.9
189.12746	9.1
191.08632	2.3
191.14359	7.6
192.09364	4.6
193.10155	12.0
193.12190	2.5
194.10838	9.3
195.11696	26.0
196.12358	8.9
197.09671	2.8
197.13268	27.2
198.13721	4.1
199.11159	6.2
199.14758	14.6
201.12796	6.0
201.16446	6.9
203.08556	3.3
203.14374	10.1
205.10185	3.8
206.10881	7.5
207.11688	16.9
207.13646	3.2
208.12468	9.4
209.13264	23.6
209.15202	3.7
210.13843	4.8
211.11151	3.2
211.14786	17.3
213.12697	3.8
213.16425	6.6
215.14352	7.5
217.15862	3.3
219.11700	7.4
220.12453	5.2
221.13239	12.9
221.15398	18.2
222.13875	3.2
222.15889	2.7
222.58090	2.0
223.14740	15.5
224.15453	4.2
225.12747	6.6
225.16364	10.4
227.08235	2.0
227.14268	5.8
227.17931	2.9
231.11635	3.4
232.12358	3.8
233.13155	9.2
233.15393	31.4
234.13849	4.2
234.16022	3.4
235.14828	9.1
236.15465	3.8
237.12807	2.3
237.16353	8.5
239.14348	2.5
239.17955	3.3
241.15797	4.3
241.19612	2.7
245.13216	5.0
245.15556	2.3
246.13936	3.5
246.16299	2.6
247.14870	6.7
248.15379	2.8
249.16412	8.0
251.14256	2.2
251.17961	5.2
253.19545	3.9
255.17467	7.9
256.17783	3.8
257.19113	3.3
259.14789	5.8
260.15509	3.3
261.16409	5.8
263.17987	5.6
265.19617	5.6
269.18933	6.6
271.20654	3.6
275.17877	6.4
277.19586	2.7
281.19031	4.7
283.20569	7.2
285.18716	4.5
287.20209	4.9
289.19464	5.0
291.17303	2.7
293.18970	2.8
295.20505	3.7
299.20142	6.0
300.20798	3.3
301.21823	4.3
315.20859	2.8
317.22498	2.7
335.23495	3.0
361.25308	4.3
365.24747	3.4
366.25220	3.0
367.26028	2.8
473.34247	3.9
491.34592	4.3
565.40179	6.7
583.41467	10.7
601.42542	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01889	3.0
55.05501	22.9
57.07066	16.3
57.52769	2.3
57.85428	2.2
59.05013	4.6
65.03931	4.5
67.05499	33.0
69.03432	14.0
69.07073	19.8
70.15449	2.3
71.26967	4.3
79.05489	30.6
81.07046	53.6
82.91089	2.3
83.04971	16.1
83.08617	12.8
85.06537	9.1
87.04462	3.0
91.05471	53.5
92.05799	3.7
93.07038	72.0
94.07382	3.7
95.04969	18.9
95.08607	39.5
96.08974	2.5
97.06529	10.5
103.05508	3.1
105.07024	100.0
106.07322	4.4
107.08583	62.2
108.08920	4.9
109.06530	18.6
109.10136	23.3
111.08057	9.0
115.05421	5.8
117.06998	18.8
119.08578	85.1
120.08915	5.3
121.06458	14.9
121.10131	68.0
122.10500	3.4
123.08050	20.1
123.11725	7.6
124.08363	3.4
125.05988	3.6
125.09643	7.1
128.06203	10.2
129.07021	16.2
130.07773	6.5
131.08578	36.0
133.06482	4.7
133.10120	51.9
135.08064	21.8
135.11661	17.3
136.08464	2.7
137.09613	15.8
139.11160	2.6
141.06995	8.4
142.07770	28.1
143.08578	42.1
144.09329	7.6
145.10117	58.4
146.10558	5.4
147.08047	30.4
147.11690	18.6
149.09619	20.0
151.07549	20.5
153.07027	5.2
153.09174	2.6
154.74898	3.6
155.08566	17.2
156.09378	18.1
157.10118	55.1
158.10706	8.9
159.08061	12.7
159.11684	33.6
160.12068	3.2
161.09630	19.2
161.13252	9.2
162.10040	3.5
163.11194	16.0
163.14970	2.6
165.07022	7.8
165.09097	48.3
166.07794	3.2
166.09334	4.5
167.08557	9.1
167.10677	34.2
168.09335	6.0
169.10120	28.4
170.10841	10.2
171.11678	30.7
172.12236	5.4
173.09598	7.6
173.13272	17.5
175.11180	17.4
175.14796	8.7
176.11391	3.2
177.09109	3.3
177.12718	4.2
179.08603	9.4
180.09212	4.1
180.11525	2.6
181.10100	12.6
181.12195	13.5
182.10849	11.7
183.11705	25.2
184.12294	7.7
185.09610	4.2
185.13251	18.7
186.13802	3.4
187.11157	7.9
187.14790	9.8
189.12677	12.2
190.13379	5.1
191.14323	5.6
192.09358	5.0
193.10178	12.6
194.10898	10.7
195.11690	20.0
196.12340	7.7
197.09622	2.9
197.13219	20.3
198.13715	4.7
199.11050	3.2
199.14847	9.2
201.12785	9.4
201.16415	4.3
203.14297	22.8
204.14749	3.7
206.10847	3.2
207.11681	12.7
207.13777	8.6
208.12329	7.9
208.14409	5.5
209.13231	25.4
209.15193	5.4
210.13826	5.9
211.11076	2.7
211.14835	11.1
213.12839	6.6
213.16350	4.3
214.13165	2.8
215.14410	3.6
217.10129	5.0
217.15849	6.0
219.11668	7.2
220.12521	4.9
221.13252	12.9
221.15324	97.5
222.13780	4.3
222.15717	10.0
223.14833	10.2
225.12752	4.3
225.16382	8.5
227.14273	4.6
232.12398	4.7
233.13191	5.7
233.15363	18.1
234.13902	5.2
234.16049	5.9
235.14742	9.0
235.16808	5.8
237.12636	5.2
237.14795	9.1
238.15051	3.8
239.14236	2.7
239.17825	3.2
245.13281	3.5
246.13965	3.7
247.17018	5.3
249.16414	4.3
251.18027	4.4
255.17509	6.5
257.13190	3.9
257.19028	4.0
259.14642	4.2
260.15121	3.1
261.16428	6.2
263.17987	5.1
265.19580	4.0
269.18890	6.2
273.16086	3.7
273.18680	3.7
274.19345	5.6
277.19464	3.6
283.20511	8.0
285.18402	4.3
286.19205	7.8
287.19910	10.3
293.18936	3.4
295.20377	5.2
299.20172	6.1
300.20660	9.7
301.21729	8.4
303.19559	10.8
304.19852	6.4
311.19940	5.2
312.20868	5.2
313.21634	3.7
325.21533	3.9
338.21924	4.3
349.25360	3.7
352.23987	17.5
353.24268	18.3
366.25323	3.6
367.26169	3.3
393.27487	3.6
491.34836	3.3
503.35028	4.6
508.35037	4.1
509.35080	4.0
520.35638	3.8
521.35730	16.4
565.40118	6.4
583.41718	13.6
601.42493	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	601.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80346	3.2
53.06907	4.0
55.05496	5.7
57.07070	8.6
59.05004	3.4
67.05498	16.3
69.03430	9.5
69.07071	8.9
74.43610	3.8
79.05495	14.6
81.07050	16.9
91.05479	19.6
93.07044	35.0
95.04953	5.4
95.08607	16.5
97.06502	6.6
98.20739	9.1
105.07014	29.5
107.08584	16.2
109.06522	8.3
109.10125	8.9
117.07033	8.5
119.08595	27.8
121.06548	4.3
121.10115	19.5
122.67648	4.2
123.08093	21.0
125.05972	4.1
128.06261	4.3
131.08559	13.2
133.10104	18.0
135.08093	7.7
135.11693	6.8
137.09612	8.5
141.07018	6.1
142.07748	6.2
143.08549	14.6
144.09213	5.0
145.10088	23.9
147.08089	13.9
147.11665	8.5
149.09624	4.5
151.07578	11.5
155.08559	4.6
156.09349	9.0
157.10143	18.1
159.11694	12.8
163.11182	11.9
165.09134	34.4
169.10144	7.9
171.11710	11.0
173.09612	4.7
173.13312	6.5
175.11168	4.7
175.14732	6.3
179.10617	4.0
181.10127	5.3
181.12244	9.1
183.11722	10.5
185.13272	6.8
187.14688	4.3
189.12785	6.5
193.12149	4.1
194.10847	6.9
195.11743	9.5
197.13231	5.7
203.14314	14.4
207.11800	4.2
209.13185	7.4
214.84331	4.0
221.13417	5.5
221.15349	100.0
222.15733	11.1
229.75891	4.9
234.16206	5.1
247.16980	5.1
287.20056	6.2
299.19910	5.6
300.20575	7.6
340.23633	4.3
352.23810	4.5
367.26227	6.0
420.29877	5.0
441.29349	8.1
491.35141	9.2
509.36105	7.0
521.36414	7.6
583.41400	11.3
601.42590	36.0
623.99609	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	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05367	5.5
55.01863	5.7
55.05493	21.4
57.07043	18.9
60.19658	5.7
67.05498	34.9
69.03411	18.0
69.07056	21.9
70.17348	26.9
79.05482	35.6
81.07055	49.7
83.04969	17.4
83.08584	7.2
91.05473	63.1
93.07037	68.3
95.04944	24.5
95.08607	42.4
97.06503	14.5
105.07034	100.0
106.07348	9.1
107.08579	60.0
108.28776	6.0
109.06496	17.0
109.10139	32.8
111.08051	12.8
115.05444	7.9
117.07027	24.5
117.47424	6.1
119.04903	9.4
119.08561	96.1
120.08895	8.9
121.06519	13.9
121.10126	58.4
123.08071	33.4
123.11694	10.9
125.09545	8.6
129.06960	13.2
130.07761	9.0
131.08559	34.4
133.06453	9.8
133.10121	54.3
135.08028	27.6
135.11688	23.8
137.09552	14.9
141.06964	12.6
142.07762	21.6
143.08557	30.5
143.97289	7.0
144.09328	12.0
145.10118	69.2
147.08018	24.8
147.11671	19.0
149.09605	19.7
151.07518	21.1
155.08554	12.0
156.09285	14.1
157.10153	58.2
158.10577	11.3
159.08031	10.6
159.11713	42.3
160.08699	6.3
161.09592	19.1
161.13171	14.3
163.11172	18.1
165.06982	7.4
165.09097	60.8
165.12660	6.7
167.08543	10.1
167.10641	34.3
168.09328	6.1
169.10074	22.4
170.10794	10.1
171.11679	34.1
172.12308	6.0
173.09538	9.7
173.13214	18.7
175.11174	20.0
175.14801	7.6
179.08472	11.2
179.10837	6.7
180.11038	6.4
181.10036	15.6
181.12225	12.4
182.10843	8.5
183.11655	27.3
185.13231	25.3
189.12697	10.4
193.10059	10.5
194.10806	8.0
195.11606	20.1
196.12386	9.6
197.13216	19.6
199.11176	7.1
199.14821	7.8
201.12766	10.1
203.14268	20.2
206.10855	8.8
207.11720	11.7
207.13776	8.5
209.13232	24.6
210.13744	8.7
211.14854	16.2
217.16089	7.5
221.13210	14.6
221.15331	93.3
222.15674	15.5
223.14795	14.1
225.16486	10.1
233.15366	19.0
237.12749	9.6
238.15034	6.5
239.17798	7.6
255.17520	8.1
263.18137	7.3
269.18655	7.2
275.19962	9.0
286.19055	12.6
287.19897	10.3
299.20056	10.7
300.20648	9.4
301.21521	14.9
303.19562	14.0
304.19717	15.5
313.21558	8.3
326.22012	7.5
352.23959	17.9
353.24249	27.4
365.24741	10.1
366.25159	7.6
402.60101	6.6
509.34952	8.7
521.35858	12.9
565.40533	7.0
583.41034	18.5
601.42291	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	16.7
67.05499	35.7
69.03404	14.1
69.07063	16.2
69.30178	100.0
79.05482	27.8
81.07047	42.5
83.04974	14.6
89.06027	16.4
91.05460	43.5
93.07043	54.0
95.04935	13.3
95.08602	29.2
97.06540	12.6
99.20217	8.9
105.07027	75.5
107.08585	47.2
109.06528	9.9
109.10129	13.0
115.75204	11.0
117.06989	19.8
119.08575	75.4
121.06451	14.9
121.10111	41.6
123.08061	22.8
131.08543	25.1
133.08559	11.7
133.10104	35.3
135.08012	20.3
135.11769	15.2
137.09581	12.2
142.07771	28.7
143.08540	30.1
145.10168	53.9
147.07988	36.9
147.11627	20.9
149.09578	15.3
151.07545	14.5
155.08607	24.7
157.10091	42.9
159.08002	17.9
159.11687	25.0
165.09129	26.8
167.08633	12.6
169.10156	12.3
171.11618	31.2
173.13278	18.8
175.11223	16.6
179.08623	15.0
181.10106	14.7
183.11690	18.0
185.13165	14.9
187.11124	11.5
193.12305	13.9
195.11595	23.0
197.13264	13.4
199.11304	11.5
203.14255	19.8
209.13339	14.9
211.14871	17.9
221.13490	12.1
221.15372	73.8
233.15419	25.3
237.14732	14.7
248.66304	10.9
255.17444	23.7
303.19513	41.1
337.21506	12.8
352.23953	64.3
365.24854	15.6
373.28088	12.3
507.34253	17.7
520.35284	15.6
600.41736	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
53.24907	0.9
53.55369	1.0
55.05505	8.3
56.05050	4.6
57.07076	11.7
60.04524	59.2
67.05182	1.4
67.05505	15.7
67.33516	0.9
69.07063	13.6
69.32963	10.6
70.06591	1.6
71.08624	8.5
72.04514	2.2
73.48996	0.9
74.06064	2.7
75.37562	0.9
77.69558	1.1
79.05499	5.6
80.05016	3.0
81.03413	3.8
81.07056	19.8
82.06575	2.7
83.04985	2.3
83.08621	6.5
84.04494	2.3
84.08130	1.5
85.02905	1.8
85.10173	3.5
86.06084	1.2
88.07651	1.6
89.06037	1.4
91.05484	7.9
93.07030	4.6
94.06578	5.2
95.04960	4.9
95.08607	21.3
97.10162	4.2
98.06080	1.1
98.09695	1.6
101.20118	1.0
102.05540	5.7
105.07030	3.9
107.08607	2.9
108.08089	2.7
109.10165	8.0
119.08575	4.2
121.10118	1.6
123.08107	1.6
123.11724	2.7
133.10109	3.0
135.11676	2.3
137.13254	2.0
147.11710	1.3
153.28365	0.9
161.13235	1.3
232.67650	0.9
233.64600	0.8
238.25455	0.9
242.24777	8.8
245.22629	1.9
262.25357	17.1
263.23666	4.1
266.24854	9.5
280.26309	16.7
294.27957	1.0
298.27328	7.3
316.28528	1.3
322.27475	1.2
326.26834	1.7
340.28537	4.9
358.29575	4.6
408.53424	1.3
504.48117	5.8
522.48798	100.0
523.49054	2.3
540.49866	8.1
564.49817	27.0
582.50885	12.2
595.34259	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	601.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.05507	8.1
56.05026	2.7
57.03428	0.6
57.05798	0.9
60.04519	0.7
61.02901	0.8
67.05495	0.6
67.57533	0.6
69.03433	0.7
69.07069	2.7
69.92953	1.1
69.93364	2.2
70.02942	0.6
70.06587	22.2
71.06911	0.9
72.08153	100.0
73.02908	0.8
73.08475	1.4
74.06097	1.4
79.60661	0.6
81.03439	0.8
82.06541	0.5
83.06113	1.0
84.04503	16.5
84.08134	7.8
85.02900	1.7
86.09702	98.0
87.05604	0.9
87.10043	2.0
91.05486	2.4
93.04523	0.7
94.06622	0.6
95.04963	0.8
97.06495	1.0
98.21503	0.9
101.07114	1.5
102.05538	51.1
103.05446	1.7
105.07022	0.6
107.04963	1.7
110.06039	2.6
110.07159	4.9
112.08769	0.9
112.11234	2.6
115.08641	1.1
116.07101	1.0
119.04905	1.1
120.08100	14.3
121.08418	1.3
123.04438	0.6
127.08664	3.5
128.07076	2.5
129.10268	4.8
130.04970	0.6
132.08015	0.7
132.10170	1.4
136.07541	3.1
137.05959	2.8
138.05475	1.7
138.06412	0.7
138.09091	1.3
147.04396	1.0
149.09668	0.8
150.05531	0.7
152.07047	2.5
155.08150	17.7
156.06557	1.4
156.10223	0.9
157.13339	3.1
159.09134	0.8
164.07080	1.8
166.04980	0.9
167.07040	1.0
169.09708	0.6
170.11790	0.9
173.09212	60.9
174.09477	0.8
176.07951	0.6
177.05406	1.0
183.11295	2.4
184.05882	0.8
185.12897	4.7
185.16466	9.1
187.10756	1.1
189.12343	9.4
191.11717	1.1
193.09682	1.0
197.12962	0.6
199.18042	10.1
201.08699	90.0
201.12209	4.9
202.08937	1.1
211.10780	1.3
213.15971	10.0
219.11168	0.7
227.17514	12.5
229.11859	3.3
231.12381	0.9
231.16908	1.3
238.08223	1.1
241.15472	3.5
243.13463	0.8
254.14928	1.1
255.13348	2.0
269.14838	3.2
272.16013	6.0
281.22128	0.8
282.14240	0.7
284.19504	0.9
295.52759	0.7
298.21268	1.2
300.15536	62.1
301.15842	1.4
302.20673	5.1
314.17142	5.8
324.19095	1.7
326.24451	3.1
342.20135	3.2
345.15601	1.1
368.21774	4.5
370.19479	1.4
371.13379	2.5
385.24445	9.5
395.22861	1.4
397.27936	2.2
401.27634	1.6
407.72925	0.9
409.28290	0.9
413.23944	33.8
414.24426	1.2
427.25409	6.4
437.27322	1.1
438.24493	0.9
439.24939	2.6
455.28604	1.2
481.30026	4.3
498.32910	7.8
508.31104	1.1
526.26025	0.7
526.32501	9.0
583.29279	0.9
601.30505	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	9.3
67.05499	15.4
67.97973	8.2
69.47561	51.5
69.47974	14.5
79.05504	11.6
81.07066	22.9
89.06032	14.7
91.05485	34.4
93.07041	32.6
95.08610	25.1
98.21420	19.6
105.07028	40.0
107.08601	28.7
109.06557	8.7
109.10155	13.7
117.07011	11.9
117.43290	7.9
119.08539	43.6
121.10153	16.6
123.08059	11.4
125.06055	14.1
131.08557	20.4
133.10158	19.2
135.08087	11.3
142.07784	10.1
143.08546	26.1
145.10103	42.7
147.08090	21.3
157.10147	36.2
159.11714	23.9
161.09671	15.4
163.11194	23.1
165.09132	39.1
169.10143	19.4
171.11708	20.0
173.13239	10.1
175.11217	18.5
181.12212	21.4
183.11679	14.6
185.13303	13.2
187.11159	10.0
189.12784	11.2
190.13516	10.4
195.11844	13.1
197.13226	14.9
201.12656	9.5
203.14352	21.5
207.13785	20.4
208.14603	13.0
221.15366	100.0
222.15498	10.4
227.14357	11.1
234.16174	19.9
247.16864	46.3
274.19202	12.9
287.20056	17.1
299.20090	16.7
325.21652	17.0
340.23978	22.0
352.23996	24.8
419.29202	15.6
425.26773	10.7
427.28415	10.1
440.29114	38.2
491.44879	10.0
520.35468	25.6
600.41211	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.0
55.05502	11.9
57.07057	11.0
58.70275	4.7
65.03938	5.9
66.96284	4.4
67.05491	19.3
69.03428	8.9
69.07062	12.5
71.27042	9.9
79.05469	12.5
81.07051	33.1
83.04986	12.4
83.08611	6.6
85.06532	5.7
91.05471	37.2
93.07041	52.0
95.04951	17.3
95.08601	36.6
97.06497	7.5
105.07022	62.2
107.08597	41.3
109.06512	10.9
109.10133	20.6
109.84099	5.1
117.06987	13.5
119.08585	60.3
121.06496	7.1
121.10149	35.7
123.08054	26.2
125.09602	8.0
129.06995	11.2
130.07773	5.9
131.08546	29.9
133.10118	35.2
135.08049	21.8
135.11699	9.2
137.09596	12.5
141.57887	5.0
142.07790	14.7
143.08585	35.1
144.09323	9.4
145.10115	46.8
147.08044	26.4
147.11658	12.6
149.09622	18.9
149.12933	6.0
151.07533	11.8
155.08534	10.9
156.09320	13.5
157.10127	57.3
159.08055	12.3
159.11736	27.1
161.09602	14.2
161.13312	6.1
163.11165	14.9
165.09109	36.4
166.07709	6.3
167.08536	6.4
167.10652	10.9
169.10095	21.4
170.10924	9.0
171.11676	28.9
173.09619	14.2
173.13264	17.3
175.11160	17.3
176.05008	5.5
177.09111	5.6
178.09923	6.0
179.08517	12.8
181.10132	5.9
181.12216	8.1
182.10876	7.3
183.11705	19.8
185.13226	18.8
187.11147	6.0
189.12715	11.1
190.13461	8.6
193.10356	5.3
193.12181	10.9
194.10938	7.2
195.11656	17.9
196.12471	7.2
197.13246	17.5
199.11154	10.8
201.12628	9.0
203.14287	23.2
207.11694	13.1
207.13625	10.9
209.13235	12.3
211.14844	11.1
213.12717	7.4
215.14435	6.5
219.11731	7.6
219.13797	8.1
221.13333	6.8
221.15350	100.0
222.15714	10.8
223.14795	9.2
225.16443	5.6
233.15314	10.5
234.16144	10.8
237.12717	9.2
237.14661	26.4
239.14255	6.1
247.16986	11.0
251.14168	6.3
255.17451	18.2
269.19000	7.1
271.17075	7.3
274.19229	15.9
286.19266	11.3
287.17389	6.0
294.19693	7.7
299.20029	12.3
303.19543	40.6
307.20609	6.5
313.21597	21.2
325.21655	10.9
337.21228	5.8
352.24063	68.8
365.24646	16.4
502.34515	8.9
503.35022	6.5
520.35394	39.5
600.41321	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15314	19.8
53.25082	19.9
55.04409	22.4
63.14031	22.0
67.05502	39.8
68.09578	22.7
71.05004	26.2
71.52636	30.4
81.07061	56.9
89.06015	41.5
91.05476	65.5
93.07040	63.0
95.08619	40.3
97.06537	28.4
105.07034	74.1
107.08590	43.9
109.10134	34.7
119.08571	87.0
121.10205	26.2
131.08548	49.3
135.08047	25.1
142.07730	38.0
143.08556	63.7
144.09303	31.2
145.10059	39.8
157.10109	49.8
159.08092	28.6
159.11667	39.8
160.07176	20.7
160.08801	69.8
165.09085	46.3
175.11125	29.1
181.12204	34.8
183.11697	25.6
221.15292	100.0
232.43266	22.3
234.16214	23.9
286.19284	30.6
287.19989	24.7
299.19925	22.7
304.59018	23.8
352.23813	69.6
440.29141	33.0
520.35541	56.4
600.41290	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71044	11.8
55.05497	12.3
62.49909	10.9
65.02850	11.1
67.05486	36.6
69.07060	15.7
69.36147	100.0
79.05473	22.3
81.03505	10.7
81.07051	24.7
89.05989	13.7
90.62436	10.9
91.05459	26.3
93.07051	15.9
95.04955	14.4
95.08592	36.3
99.02503	10.9
105.07034	38.9
107.08582	21.5
115.05392	11.4
117.06931	12.2
119.08578	44.8
121.10143	25.4
129.06963	12.7
130.02205	11.2
131.08549	23.7
133.10115	18.4
137.09583	11.7
142.07828	12.9
143.08557	27.9
145.06464	21.3
145.10109	15.7
157.10081	26.0
159.11694	17.6
160.08842	54.2
165.09131	26.0
171.11621	21.5
175.11296	15.1
179.14227	14.4
181.12199	12.8
182.11227	12.6
184.19511	11.6
195.11710	20.5
196.01974	12.0
203.14262	15.4
209.13298	17.2
221.15416	66.6
253.16061	12.4
299.19757	12.7
312.20822	17.2
352.24017	34.9
440.29102	32.3
572.61914	13.8
600.41315	26.1
600.49768	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15314	19.8
53.25082	19.9
55.04409	22.4
63.14031	22.0
67.05502	39.8
68.09578	22.7
71.05004	26.2
71.52636	30.4
81.07061	56.9
89.06015	41.5
91.05476	65.5
93.07040	63.0
95.08619	40.3
97.06537	28.4
105.07034	74.1
107.08590	43.9
109.10134	34.7
119.08571	87.0
121.10205	26.2
131.08548	49.3
135.08047	25.1
142.07730	38.0
143.08556	63.7
144.09303	31.2
145.10059	39.8
157.10109	49.8
159.08092	28.6
159.11667	39.8
160.07176	20.7
160.08801	69.8
165.09085	46.3
175.11125	29.1
181.12204	34.8
183.11697	25.6
221.15292	100.0
232.43266	22.3
234.16214	23.9
286.19284	30.6
287.19989	24.7
299.19925	22.7
304.59018	23.8
352.23813	69.6
440.29141	33.0
520.35541	56.4
600.41290	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	600.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.7
55.01864	0.9
55.05513	5.6
56.05038	0.9
57.03424	1.3
57.07069	0.7
57.98799	1.5
58.99294	1.0
58.99580	16.2
59.04987	0.5
67.05499	9.1
68.38910	0.4
69.03416	1.0
69.07060	5.4
69.93707	2.2
70.02962	0.6
70.06583	1.6
70.55163	0.4
71.04973	0.9
71.86328	0.5
72.08173	0.5
73.01144	0.7
76.02222	82.6
76.03986	2.6
79.05485	7.2
80.05015	0.7
81.07050	12.0
83.04967	3.0
83.06089	2.2
83.08626	3.6
84.04496	15.7
84.08169	0.8
85.01097	0.5
85.02867	0.5
86.09687	1.3
86.99050	3.8
88.02212	1.8
91.05470	7.5
93.07037	9.8
95.04967	2.2
95.08598	8.3
97.01115	1.1
97.06504	2.0
97.10165	3.2
99.05577	0.8
102.05559	1.0
105.07025	9.5
107.04943	3.2
107.08585	7.8
109.06493	4.4
109.10139	3.3
111.08054	0.6
114.03751	0.8
116.01665	22.9
117.02015	0.4
117.06995	2.9
119.08572	6.7
120.08125	0.6
121.06512	4.0
121.10128	3.9
123.08044	2.2
123.11665	0.8
125.09635	2.1
129.06531	2.5
129.10204	0.5
130.04979	6.7
131.08563	6.0
133.06496	1.2
133.10124	8.3
135.08049	1.7
135.11676	2.0
136.07509	0.6
137.09641	0.6
141.04807	1.3
142.03221	7.8
143.08572	1.6
144.01131	13.2
145.06267	0.8
145.10085	5.0
147.08028	1.7
147.11685	4.4
149.09602	2.8
149.13239	1.1
151.11168	2.1
153.06563	0.7
155.08493	0.5
157.10098	1.8
159.08072	0.5
159.11670	3.7
161.09619	2.2
161.13245	1.1
162.02190	43.1
163.11195	2.0
169.10135	1.3
170.02719	3.5
171.11658	0.8
173.09618	1.0
173.13260	2.8
175.11143	1.4
179.04840	100.0
180.05161	0.5
183.11655	1.0
185.13220	0.5
187.05334	3.1
187.11134	0.8
188.03824	0.8
189.11189	2.1
189.12714	0.7
191.14273	1.4
197.13248	0.8
201.12680	1.0
205.06285	0.7
207.13817	2.6
211.14534	0.5
212.24644	0.6
213.16658	0.7
215.04889	1.8
215.17953	0.5
219.13866	1.2
227.04701	0.8
229.19551	0.9
233.05888	12.7
239.17879	0.8
245.05869	3.7
247.20445	0.7
257.18988	4.3
267.30359	0.5
273.18506	2.7
275.20041	31.7
276.20309	0.9
290.07999	1.3
291.06348	2.2
291.19629	2.9
293.21082	21.2
308.09097	29.0
309.09509	0.8
350.21432	0.8
351.19757	0.9
368.22482	8.5
378.20895	1.3
453.24341	4.4
471.25247	3.1
524.63678	0.5
525.26355	3.5
582.28510	1.5
600.29608	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	600.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
54.03497	0.3
55.01858	1.2
55.05507	3.9
56.05027	0.5
57.03423	0.4
57.07051	0.4
58.99576	1.3
65.03936	0.8
67.05500	8.8
69.07066	4.0
69.92722	1.5
70.06592	0.4
71.04993	0.6
74.00665	2.5
76.02234	2.3
76.03996	0.7
79.05487	8.8
80.05020	2.1
81.03429	0.4
81.07050	21.1
82.06583	0.6
83.04963	1.3
83.06102	1.7
83.08611	2.6
84.04500	5.3
85.01122	1.0
85.06548	0.4
86.00650	0.8
86.99044	0.5
88.02200	0.6
91.05473	6.8
93.05762	0.3
93.07038	7.6
94.06567	1.6
94.47175	0.3
95.04955	2.7
95.08601	10.1
96.08099	0.6
97.01093	1.6
97.06548	1.2
97.10168	0.6
98.00641	0.3
99.01418	4.7
99.02633	0.6
99.05586	0.8
100.02201	7.2
102.05584	0.4
103.05421	0.4
105.07024	6.3
106.06548	1.3
107.04944	1.8
107.06071	0.6
107.07324	0.4
107.08587	5.2
108.08105	1.0
109.06516	4.2
109.07644	0.4
109.10139	2.6
111.02660	1.0
111.08069	0.9
112.02181	9.3
113.00597	0.4
113.02979	1.4
113.04214	1.1
114.02989	0.6
114.03750	9.1
115.05825	0.6
116.01678	1.9
117.07006	2.0
118.06596	0.3
119.08567	4.9
120.08094	1.4
121.06520	1.3
121.10139	3.6
122.09686	0.5
123.02663	0.4
123.08073	0.9
123.11717	1.0
124.02151	0.3
125.04180	1.5
126.03731	3.1
129.06528	1.9
130.05014	1.7
131.08549	4.1
132.08121	0.4
133.06512	0.5
133.10130	3.3
134.09660	0.7
135.02690	0.4
135.05566	0.4
135.08047	1.2
135.10452	0.3
135.11731	1.4
136.03896	0.4
137.04221	0.9
137.09650	0.9
138.03735	3.0
139.02226	0.5
139.03279	1.0
139.05750	1.3
140.05275	7.9
141.04749	0.3
142.03233	0.7
142.06831	0.4
143.02765	0.3
143.08562	0.7
144.01134	0.6
145.06111	0.9
145.10103	2.9
147.08006	0.7
147.11679	3.5
149.09607	1.4
149.13217	1.9
151.05775	1.2
151.11171	0.5
152.01668	0.3
152.05269	2.6
153.06601	1.0
153.09325	0.3
154.06839	1.8
157.10150	0.7
159.02277	0.3
159.11661	1.4
161.09621	0.5
161.13269	1.0
162.02129	1.3
163.11172	1.4
163.14827	0.5
165.12784	0.3
166.06877	1.2
168.08420	17.6
169.05997	0.3
169.08920	0.3
169.10222	0.4
170.02747	0.3
171.11678	0.7
173.13274	2.6
175.11198	0.5
179.04886	1.3
180.08437	0.7
181.06104	0.9
183.11713	0.4
185.03836	2.7
187.05399	1.1
189.12733	0.4
191.14363	1.0
193.06081	0.5
193.12370	0.5
197.13304	0.4
199.07095	0.5
202.03995	1.4
207.13780	0.7
208.11604	0.5
208.16899	0.4
209.15327	2.7
210.14954	0.5
215.04944	0.7
216.05605	2.3
222.14958	1.0
229.06482	0.5
229.19466	0.4
231.04364	4.0
233.05991	1.3
234.14954	0.4
236.14410	1.3
236.16621	0.8
239.11098	0.4
241.06396	1.4
247.20551	0.5
255.07971	3.4
255.13037	0.4
256.08847	0.4
257.18967	0.7
262.12604	0.4
264.14191	7.0
265.12390	0.4
265.14966	0.6
269.09558	2.0
270.10300	6.7
271.11121	1.4
275.20056	7.1
275.22787	0.5
276.20584	0.3
281.14435	2.0
282.15210	34.0
283.15604	0.8
292.22806	0.4
293.21136	1.6
305.19434	0.4
307.17325	0.5
308.09100	1.2
309.13809	0.7
323.16037	1.2
324.20163	0.6
332.20471	0.8
333.18866	2.5
350.21481	10.2
351.19736	2.6
360.19873	0.4
368.22528	11.4
378.20987	1.0
384.17111	15.0
385.17807	3.2
407.23495	0.5
435.23047	0.5
453.24164	100.0
454.24551	4.0
462.11887	0.3
479.25998	0.4
507.25372	0.5
525.26337	5.5
578.69940	0.3
582.28357	1.2
583.26831	0.5
600.29535	3.7
603.73291	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	600.301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32909	0.7
52.76042	0.8
53.03946	1.8
55.01862	2.4
55.05511	3.4
57.03436	3.7
61.02927	15.8
61.98973	0.7
67.05503	9.0
69.03432	6.8
69.07067	3.1
70.06593	10.7
71.01335	0.8
71.04997	5.9
72.08141	5.3
73.02927	5.6
74.06063	1.5
79.05491	11.4
81.03416	21.6
81.03873	1.6
81.07061	10.3
83.04993	3.1
83.08619	5.2
84.04518	2.3
84.08134	4.7
85.02906	18.1
85.06548	1.2
86.09706	10.6
91.03963	6.9
91.05481	17.4
93.07063	7.8
95.04967	6.9
95.08603	3.9
97.02891	9.5
97.06500	1.7
97.10210	1.1
99.04467	1.5
101.07114	0.9
102.05524	0.9
103.05470	1.4
105.07024	9.1
106.06554	1.1
107.04949	6.9
107.08581	5.3
109.02940	0.9
109.06517	3.1
109.10171	2.4
110.07183	2.5
111.04465	1.1
111.08114	2.8
112.08701	1.1
115.03901	0.8
115.05459	1.6
117.07008	1.9
119.04942	6.9
119.08576	5.2
120.08106	3.1
120.15617	0.7
121.06528	2.3
121.10144	6.7
123.04418	3.8
123.08118	1.2
123.11746	0.9
127.03938	1.9
128.06262	1.0
129.06993	3.7
129.10233	1.8
131.08575	5.5
133.06517	4.5
133.10109	4.1
135.04402	6.6
136.07602	2.3
137.05972	33.4
138.06335	1.2
142.07799	1.4
145.02875	2.3
145.06497	4.4
147.04395	8.9
147.08037	3.5
147.11723	4.1
148.15802	0.8
149.05934	5.4
149.09637	7.1
151.07542	1.7
151.70761	0.8
152.07059	9.9
152.08130	1.1
153.01868	3.0
157.06509	1.9
157.10123	4.4
158.95734	0.9
159.08054	2.0
160.05226	0.8
161.05971	11.4
163.03969	1.6
163.07567	5.0
165.05507	1.3
167.07036	11.2
167.10736	0.8
168.10146	1.9
171.02945	1.7
171.08038	1.2
173.05971	6.8
173.09488	0.9
175.07520	6.7
175.11142	4.6
177.05464	4.8
177.09096	1.2
179.07007	2.1
183.08067	1.3
185.09625	1.3
187.07553	9.4
189.05365	1.0
189.09102	2.4
191.07077	1.7
193.08659	1.9
193.12222	13.1
197.09657	0.9
199.07574	3.3
201.09070	2.2
203.06963	1.2
205.08499	1.2
209.46715	0.8
211.09589	0.9
211.13246	6.0
213.09053	1.8
215.10683	1.2
217.08485	1.3
225.12727	1.4
227.10501	0.9
228.13414	1.0
257.15308	6.6
268.61932	0.9
273.07629	3.5
283.17108	1.2
285.14746	6.3
293.15234	0.9
301.18170	1.1
303.15897	8.8
311.16327	4.7
329.03235	1.2
329.17496	11.2
341.17551	2.1
346.20169	2.0
347.04559	3.9
347.18631	5.0
359.18466	1.0
365.05151	1.9
376.21237	1.5
402.22577	1.2
403.21286	4.2
420.23871	13.7
421.22211	4.5
438.24869	100.0
439.25385	3.2
480.25912	1.1
516.25684	1.2
546.27228	2.3
564.28168	5.7
582.29114	8.7
600.30145	68.3
601.30670	2.6
619.13495	2.4
624.95679	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	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.4
55.01830	1.3
55.05471	1.6
56.05021	0.6
57.03409	1.5
61.02930	3.6
65.03899	0.4
67.05505	2.8
69.03422	2.4
69.07028	1.7
70.06592	8.0
71.04956	0.5
71.50966	0.4
71.51343	0.7
72.08149	3.0
73.02905	1.0
79.01816	1.0
79.05468	2.5
81.03415	5.6
81.07009	1.8
82.44683	0.5
83.04935	0.7
83.08590	1.3
84.04466	1.8
84.08138	2.9
85.02910	4.3
85.09275	0.4
86.09713	6.5
87.05546	0.9
91.03907	1.5
91.05011	0.5
91.05474	5.3
93.07002	1.4
95.04923	1.5
95.08589	1.0
97.02357	0.5
97.02879	4.2
97.06509	0.8
98.09673	0.5
99.04423	0.6
100.07578	0.5
100.11259	2.3
101.07118	0.5
102.21686	0.4
105.06981	1.7
107.04913	1.9
107.08542	1.3
109.02839	1.6
109.06447	0.7
109.10104	1.0
110.07128	1.9
111.04401	0.6
111.08082	0.6
115.05418	1.3
117.06975	1.3
119.04884	1.2
119.08560	1.0
120.08108	2.2
121.06450	0.5
121.10101	1.2
123.04417	0.7
125.02361	0.9
127.03860	2.0
128.06195	1.7
128.07047	0.5
129.06999	6.4
129.10272	2.7
131.04868	0.9
131.08566	7.5
133.06418	1.9
133.10083	1.6
135.04396	1.3
136.07561	1.0
137.05978	6.1
138.38181	0.4
141.06949	1.9
142.07727	0.8
143.03333	1.3
143.04912	0.6
143.08549	1.5
144.05705	2.2
145.04945	0.5
145.06439	2.6
146.07239	1.0
147.04375	2.8
147.07996	1.3
147.11592	0.7
149.05928	1.6
149.09544	1.6
152.06978	0.6
153.01826	21.8
153.06967	0.8
157.06496	3.3
157.10068	0.9
158.07211	0.8
159.08043	11.8
161.05994	2.8
161.09598	3.4
163.03879	0.6
163.07478	0.9
164.07043	0.7
165.05508	0.6
167.07124	2.1
168.10202	0.6
169.06331	0.6
169.07591	1.2
170.07265	2.0
171.02835	1.5
171.08000	2.9
172.05170	1.0
173.05946	4.3
174.06758	1.0
175.03885	0.6
175.07558	2.8
175.11127	1.2
177.05443	1.7
177.07817	0.9
179.79962	0.4
182.15337	1.6
183.15678	1.3
185.05812	0.6
186.06706	0.6
187.07527	10.1
188.08257	0.6
189.05412	1.3
189.09058	4.2
190.06148	0.5
191.06955	0.7
192.07861	0.5
193.08546	0.5
193.12250	1.7
198.06676	1.1
199.07524	2.4
201.05461	0.6
201.09071	1.5
203.07034	1.7
204.06462	0.5
204.07841	5.1
205.08519	0.7
206.09276	0.7
207.06528	1.9
210.14894	1.8
211.13257	1.2
211.15231	1.4
212.15480	0.8
213.09007	0.9
216.07744	1.6
217.08583	0.9
218.09285	0.6
219.10121	1.5
221.08167	0.6
221.11761	1.7
231.10233	3.1
233.11665	1.1
237.11108	0.6
249.11212	100.0
250.11517	1.6
251.12787	1.4
257.15283	1.2
258.13171	0.6
267.12131	1.2
274.18048	0.8
283.17062	0.7
285.14951	1.3
287.05499	14.5
297.06006	1.7
302.17612	0.5
303.15866	1.4
311.16489	2.2
320.18436	0.8
329.17514	1.7
346.20203	0.7
347.18372	0.8
370.09375	0.7
376.21942	0.6
394.22256	2.0
403.21280	0.7
420.23752	3.9
421.10547	0.5
438.24850	21.9
439.25543	0.6
516.25940	0.6
546.27325	1.0
556.16034	1.9
564.28021	1.1
582.29041	3.7
582.41125	1.4
599.42023	0.8
600.15594	3.2
600.30121	15.6
600.41272	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	600.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92647	0.7
53.03939	1.6
53.85556	0.9
55.01873	2.3
57.03426	2.2
61.02925	0.8
69.03429	30.8
69.28098	6.1
69.28503	2.0
70.06583	4.5
72.08150	1.1
73.02903	2.0
80.15236	0.8
81.03412	6.7
84.04494	0.9
84.08130	2.7
85.02440	1.6
85.02906	17.6
87.04481	1.2
90.57870	1.0
97.02895	11.8
98.20802	2.0
99.00824	3.5
99.04436	3.1
101.02404	1.0
104.04977	3.9
109.02855	6.0
111.14609	0.8
115.03891	1.0
118.06543	3.4
120.04466	2.1
127.03910	18.8
129.10219	1.7
130.06535	1.9
132.04448	31.1
134.06046	2.5
136.07530	1.2
145.05002	4.5
146.05957	4.1
147.04419	1.5
148.03922	19.7
149.04597	0.9
150.05498	100.0
152.07140	1.5
156.04422	3.2
158.05986	2.8
160.03937	2.3
163.03952	1.3
174.05521	7.5
178.04903	5.7
184.03931	9.5
186.05518	2.7
194.04468	12.6
195.05281	9.6
196.06056	10.6
202.04997	26.3
202.48845	0.8
204.06575	1.2
206.04445	2.4
212.03421	16.7
212.05258	1.6
214.05013	1.6
230.04478	40.7
232.06036	2.7
240.06468	0.9
248.05537	15.8
258.03967	3.1
276.05023	78.7
286.07407	1.0
294.06067	21.7
304.11771	2.6
356.07718	2.1
360.07190	2.1
374.08719	1.8
392.09747	31.1
393.32172	0.9
420.09033	1.8
438.10318	36.0
463.28000	0.9
552.62891	1.1
600.15442	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	597.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01855	1.6
55.05517	1.2
56.05017	0.8
61.02906	1.6
65.03934	2.1
67.01169	0.6
67.05510	1.6
69.03441	5.2
69.07058	0.7
70.06593	9.7
71.26845	1.6
72.08150	4.9
78.04699	0.8
79.05494	4.3
81.03417	2.3
81.07032	1.6
82.04187	0.8
84.04488	2.4
84.08141	4.3
85.02902	6.7
86.09715	4.1
91.05488	4.0
93.06998	1.2
95.04963	2.8
97.02882	2.2
101.07132	0.8
103.05499	1.6
105.07061	1.3
107.04958	11.4
109.02881	0.8
110.03677	1.5
110.07178	1.5
114.47181	0.8
115.05434	2.3
117.07016	2.5
120.08132	3.8
123.04412	1.6
124.05235	1.9
125.05987	1.5
127.03915	3.8
129.06996	2.0
129.10236	3.3
131.04898	2.4
131.08568	1.0
133.06503	2.1
136.07553	1.4
137.05965	2.6
138.03073	0.9
141.06979	1.2
144.05661	2.4
144.07501	0.8
145.06499	5.7
147.04330	1.4
147.08035	1.5
149.06010	1.2
151.07524	1.1
152.04674	1.5
153.05435	1.0
155.07077	1.3
157.06473	2.6
159.04393	1.2
159.08049	2.2
160.05287	0.8
161.05981	5.2
167.05646	1.7
167.07043	32.2
167.08450	1.7
168.10074	0.8
171.06496	1.9
172.05202	13.2
173.05983	4.1
175.07526	2.7
177.05434	2.9
179.07005	0.8
181.04964	29.4
181.08450	1.0
185.05980	1.1
187.07520	4.2
189.05421	2.3
190.06210	2.4
191.06989	2.2
193.08649	1.6
195.06618	1.0
200.04712	7.3
201.05408	3.5
203.07001	0.9
205.08636	2.6
206.05742	1.3
207.10194	0.8
209.08083	1.0
217.08617	2.2
218.05728	12.0
219.06415	1.9
219.08270	1.2
219.10135	1.8
221.08044	3.9
231.06509	2.2
233.08087	100.0
234.08449	1.1
235.07532	0.9
235.09712	1.8
245.08029	2.6
247.07530	1.4
249.09155	1.0
251.09055	1.7
263.09161	29.5
264.07559	1.2
265.08453	1.0
277.08676	1.2
279.06656	0.8
279.10089	1.1
281.10214	1.5
292.07364	1.5
295.09668	1.5
307.09814	0.9
323.09073	1.1
327.12357	1.3
335.08936	0.9
339.12189	1.6
355.11768	1.7
367.11652	2.9
369.09634	1.2
372.11774	1.0
373.12503	0.9
384.11896	1.3
387.14383	3.1
399.14389	4.4
417.15442	56.7
502.86014	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	597.303
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03927	2.0
53.48520	1.2
55.05508	15.5
57.03442	6.6
57.07064	3.8
61.96339	1.2
66.56653	1.2
67.05180	2.1
67.05504	26.3
69.07062	16.6
69.62824	10.0
71.04975	1.4
71.08635	1.2
78.50931	1.5
79.05482	8.7
81.03416	8.5
81.07054	26.9
83.04945	1.8
83.08611	8.3
85.02887	1.7
91.05471	6.3
93.07044	10.4
95.04934	1.5
95.08603	21.7
97.06517	3.0
97.10170	4.3
98.98454	26.0
99.04385	1.3
105.07018	4.7
107.08596	4.9
109.02881	9.0
109.10165	9.7
116.99525	1.4
119.08578	3.4
121.10138	4.4
122.09999	1.2
123.11708	4.0
131.08604	1.6
133.10098	3.5
137.13258	2.5
145.10135	1.7
147.11693	2.4
152.58456	1.3
155.01062	3.6
161.13188	1.4
236.47214	1.1
237.94173	1.3
261.03586	9.6
263.23694	2.9
301.19934	1.7
335.07529	1.5
337.27350	100.0
338.27722	2.0
597.39111	2.7
597.48419	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	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01869	2.2
55.05517	1.5
56.05034	1.7
60.04529	4.5
61.02910	1.1
65.88735	0.8
67.05492	1.1
69.03416	4.4
70.06592	10.6
70.64190	2.3
70.64532	1.3
71.04980	1.3
72.08140	4.7
79.05486	4.3
81.03418	17.6
81.07065	2.0
84.04495	2.7
84.08129	4.3
85.02911	11.8
86.09688	6.6
88.03963	1.3
91.05491	4.3
93.07034	1.6
95.04960	2.1
95.08640	1.3
97.02889	3.5
100.60925	0.9
102.05543	1.5
103.05473	2.9
105.07018	2.5
107.04943	9.1
109.02887	2.0
110.07169	2.0
115.05468	6.8
117.07013	12.3
118.86621	0.9
119.04934	1.3
120.08096	7.2
123.04416	3.3
124.05225	1.4
125.05933	1.5
127.03903	2.9
128.05212	1.1
128.06195	1.9
129.07007	2.2
129.10207	3.1
131.04890	1.9
131.08580	1.9
133.06511	2.4
136.07510	1.4
137.05971	8.2
141.07025	1.3
143.04904	1.0
144.05717	2.0
145.05074	2.2
145.06483	33.5
147.04337	1.0
147.08116	1.2
151.03847	1.6
152.07120	1.0
153.05589	1.1
155.06009	2.8
156.05667	5.9
157.06546	1.6
159.08028	4.9
161.05995	4.7
166.08669	1.2
167.07027	60.2
168.07336	1.4
172.05257	1.3
173.05977	55.0
175.07553	2.0
177.05411	1.6
180.08675	3.6
181.04961	2.0
184.05180	1.8
187.07483	6.0
190.06238	30.4
191.06966	3.2
193.08566	2.3
202.06245	3.9
202.28922	1.0
203.06973	5.9
205.08592	100.0
206.09029	1.0
215.07106	1.1
217.08594	38.1
218.09125	1.1
219.08313	1.3
219.10016	4.3
223.09703	3.7
231.06367	1.1
234.08490	1.6
235.09633	29.0
247.07500	2.4
247.09691	5.7
248.08319	1.7
261.08914	1.1
263.10620	1.6
264.07626	1.0
265.08032	2.1
265.10721	28.3
269.08121	1.2
271.09665	1.5
276.07706	1.4
279.10129	1.5
289.08505	1.0
290.09570	1.3
292.07407	1.2
293.08182	1.0
299.09204	1.0
307.09683	2.2
308.10651	1.0
315.08682	3.4
323.12790	2.3
330.10843	8.0
331.11658	3.7
332.27853	2.5
350.29089	1.9
351.12280	4.2
371.14905	3.7
383.14935	10.3
401.15887	10.0
408.14536	1.1
580.32855	1.5
598.33795	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	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
53.78619	1.3
55.05511	9.5
55.09070	1.4
57.07064	6.0
59.04978	1.8
62.97702	1.3
65.03915	3.2
67.05504	14.1
69.03435	12.2
69.07055	10.1
69.73673	1.4
78.71896	1.3
79.05487	17.6
80.76505	1.4
81.07049	22.8
83.04982	9.2
83.08609	5.9
83.81728	1.4
85.06538	6.2
85.17686	1.5
87.79982	1.6
91.05475	27.6
93.07042	28.7
95.04969	15.1
95.08607	14.6
97.06528	6.3
98.20798	3.5
103.05437	2.0
105.07027	45.4
105.56699	1.5
107.04948	3.3
107.08586	31.8
109.06519	10.7
109.10133	10.6
111.08078	2.6
115.05457	3.9
117.06989	10.0
119.08578	39.7
119.09374	3.1
121.06504	11.2
121.10138	39.4
123.08063	15.9
123.11713	2.6
125.05990	1.7
125.09622	7.7
128.06206	8.2
129.07005	10.1
130.07791	4.6
131.08560	24.9
133.06487	3.5
133.10117	24.8
135.08063	11.3
135.11697	4.5
137.09605	6.7
139.07518	2.0
139.11156	2.1
141.06938	3.6
142.07776	13.7
143.08563	30.9
144.09348	6.3
145.06468	2.4
145.10121	32.5
147.08055	16.5
147.11708	8.7
149.09612	12.6
151.07541	16.0
151.11230	1.7
153.07008	2.2
155.08542	15.0
156.09311	9.5
157.10127	29.0
158.10866	3.3
159.08075	12.0
159.11664	17.4
161.09648	9.6
161.13283	4.6
163.11139	9.5
165.06993	3.4
165.09087	22.6
167.08560	8.5
167.10669	15.6
168.09349	4.1
169.10135	19.3
170.10915	5.9
171.11697	20.6
172.08842	2.6
173.09651	6.4
173.13252	11.4
174.10381	2.5
175.11198	6.8
177.09114	3.7
179.08554	7.1
180.09392	3.9
181.10062	8.1
181.12291	3.9
182.10924	4.8
183.11659	17.1
184.12447	3.1
185.09605	3.5
185.13266	10.0
187.11240	4.9
187.14778	3.2
189.12741	7.2
191.14252	3.3
192.09381	1.9
193.10167	9.8
193.12144	2.1
194.10925	4.9
195.11682	12.5
196.12500	4.6
197.13245	12.8
199.11191	4.8
199.14844	4.0
201.12784	4.1
203.14322	7.9
205.10184	3.1
206.10838	2.5
207.11740	9.0
207.13861	6.8
208.12604	3.7
209.09523	1.7
209.13263	14.0
209.15268	2.3
211.11194	3.7
211.14813	3.0
213.12729	3.8
213.16338	2.2
215.14368	4.5
217.15887	2.2
218.10994	2.2
219.11679	4.2
220.12418	1.8
221.13277	8.0
221.15308	41.1
223.11241	2.6
223.14868	6.7
225.12854	5.5
225.16351	3.6
227.14407	2.5
229.12206	2.9
233.13248	3.8
233.15332	29.9
234.14055	2.4
235.14870	5.3
235.17010	2.0
239.14349	2.0
239.18069	1.7
241.15974	2.5
243.11717	2.1
245.13295	3.8
247.14796	4.7
248.15685	1.9
249.16414	4.0
251.14426	1.9
251.17874	3.6
253.15964	2.7
255.17549	2.6
257.18958	2.2
259.14728	3.1
259.17130	2.6
263.18008	2.0
269.18991	3.8
273.16162	2.0
275.17874	2.1
281.19016	9.0
284.15564	1.8
286.19403	3.0
287.20160	3.5
299.20319	3.0
308.50589	2.0
312.20901	2.1
347.23874	1.8
351.23093	2.5
359.23746	1.9
364.24240	2.5
377.24792	2.7
391.26300	2.3
415.28549	2.0
441.29980	4.3
489.33493	4.2
493.33374	3.0
507.34723	78.9
581.39905	3.6
599.40942	100.0
600.41040	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	596.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01866	1.5
55.05490	1.3
56.57423	0.4
57.03435	1.9
57.07076	2.3
58.20473	0.4
61.02922	1.8
65.03938	0.5
67.05508	4.8
68.99792	1.2
69.03426	7.8
69.07069	3.2
70.06589	1.0
70.09146	2.3
71.01369	0.8
71.04996	0.8
72.08131	0.6
73.00246	0.4
73.02910	2.1
78.48198	0.4
79.05489	9.0
81.03413	5.8
81.07051	100.0
83.01318	0.4
83.04987	0.7
84.04483	0.8
85.02900	51.9
86.09701	1.0
87.00822	8.0
91.03949	0.6
91.05489	1.2
93.07043	1.7
95.01336	1.5
95.04951	1.1
95.08602	20.8
97.02884	8.4
97.03530	0.6
97.04974	0.4
99.00820	0.7
99.04428	2.5
100.11262	0.4
103.03957	1.8
104.09931	0.4
105.01856	17.7
105.07024	1.0
106.20442	0.4
107.04946	0.9
107.08569	0.6
109.02869	7.1
109.10154	1.8
111.04446	0.8
113.02363	1.4
115.03959	0.4
117.03363	1.1
119.04910	0.8
119.08613	0.6
120.08089	0.4
123.04452	0.9
127.03909	21.5
129.01831	1.8
130.04974	0.5
130.88783	0.4
135.04442	0.9
135.08105	0.6
137.06017	0.5
137.13249	22.5
139.03893	0.5
141.01804	7.1
143.08517	0.5
145.02840	4.7
145.03856	0.7
145.04929	7.3
147.02904	1.0
147.04355	2.0
147.11630	0.8
149.05939	0.5
151.03920	1.0
152.07031	0.5
159.02863	4.7
162.89522	0.4
163.03786	0.6
167.06979	0.6
173.09523	1.0
177.04005	0.6
177.05460	10.9
177.06895	0.8
181.04936	1.0
183.02983	0.5
187.06122	0.4
189.03917	3.3
193.04987	0.6
199.06000	0.5
213.03929	2.0
224.97430	0.6
231.04990	9.4
239.61003	0.4
243.05060	0.9
249.06044	5.4
261.05972	2.1
263.16556	0.5
267.04965	1.1
271.17032	0.5
273.06052	3.2
285.06097	1.5
287.05521	0.9
289.18063	0.5
303.06845	0.8
321.09781	0.8
322.97610	0.5
339.10864	1.9
363.21762	1.2
371.06183	0.8
381.22757	3.0
389.07092	2.8
407.08145	2.2
586.41730	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	596.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01860	4.1
55.05505	11.8
57.03427	8.4
57.07058	4.9
65.03917	4.2
67.05502	75.9
69.07072	13.4
69.79127	12.9
71.04984	2.9
71.08635	1.9
73.02890	4.1
79.05490	43.9
80.17891	2.5
81.03391	4.1
81.07054	78.8
81.07528	3.9
82.54781	2.0
83.08617	10.2
85.02869	2.6
85.06515	3.0
91.05473	20.8
93.07040	57.1
95.04932	3.4
95.08607	63.7
95.47025	2.1
97.06495	2.5
97.10146	4.8
99.04455	3.4
99.08072	3.9
105.07019	21.7
107.08580	34.6
109.02821	4.0
109.10162	35.6
110.03664	3.5
117.07001	9.5
119.08586	16.2
121.10139	31.5
123.11724	14.9
125.09644	3.5
127.03935	3.1
131.08542	18.9
133.10103	16.2
135.11694	29.0
137.09624	2.9
137.13263	6.6
145.10133	16.4
147.11711	11.1
149.13248	22.4
159.11739	12.9
161.13243	9.5
163.14786	20.7
165.12819	2.2
173.13239	14.0
175.14795	3.8
177.16328	7.7
179.14384	3.2
187.14842	13.1
191.00151	3.2
201.16327	3.6
221.26697	2.0
233.22414	2.3
243.21082	35.7
261.22116	100.0
265.47626	2.2
279.23126	5.3
317.24835	2.4
335.25781	27.6
353.26880	39.2
365.26846	2.1
412.72430	2.0
561.27155	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	599.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01847	0.7
55.05482	2.5
57.07071	7.9
59.04961	2.5
65.03918	1.8
67.05497	8.0
67.19448	0.7
69.03429	7.6
69.07038	3.0
71.10143	1.8
72.24821	0.7
76.01642	0.6
79.05490	8.8
81.03397	1.5
81.06609	0.8
81.07049	12.9
83.04949	3.0
83.08580	1.2
84.91157	1.2
85.06535	4.0
91.05472	13.2
93.07037	23.1
95.04948	6.4
95.08595	13.4
97.06497	2.7
103.05404	1.3
105.07024	22.1
107.04884	1.3
107.07889	1.0
107.08582	12.8
109.06528	4.6
109.10116	3.9
110.78224	0.6
111.08047	2.2
115.05456	1.2
117.06378	0.6
117.07001	6.6
119.08572	25.9
121.06507	3.3
121.09361	0.8
121.10144	13.3
122.07256	0.9
122.28307	0.7
123.08063	11.4
123.11642	0.9
125.05950	3.1
127.07460	0.6
128.06186	2.9
129.06993	3.6
130.07753	1.3
131.08559	10.8
132.83514	0.6
133.06468	2.0
133.10123	14.0
135.08043	11.2
135.11678	4.0
137.05936	1.1
137.09607	12.2
139.07497	1.9
141.06918	1.9
142.06967	0.6
142.07773	6.5
143.08549	10.9
144.09300	1.9
145.06419	0.7
145.10109	15.0
147.08029	25.6
147.11690	3.5
147.12709	0.6
148.08847	0.7
149.09637	4.1
151.07539	10.0
151.11127	1.0
153.09146	0.8
154.07779	0.9
155.08566	5.3
156.09300	4.2
157.10104	15.5
158.10858	0.9
159.08035	3.1
159.11668	10.8
161.09587	5.8
161.13257	5.2
163.11179	7.7
165.09108	53.9
166.07719	0.8
167.08514	2.2
168.09341	3.0
169.10127	6.7
170.10905	3.9
171.11691	9.7
173.09627	4.8
173.13222	3.4
175.11168	2.5
175.14835	2.3
177.09157	1.7
177.12674	1.0
179.08525	1.8
180.09396	0.9
181.10123	4.0
181.12180	6.3
182.10840	2.1
183.07870	0.7
183.11671	11.0
184.12505	0.9
185.09543	1.5
185.13222	6.3
185.44774	0.7
186.14093	0.9
187.11177	3.5
187.14761	1.6
189.12743	4.0
191.10602	3.2
191.14323	1.6
193.10123	2.4
193.12241	1.3
194.10886	2.0
195.11736	4.2
195.13354	0.9
196.12428	2.1
197.09561	0.9
197.13237	4.6
199.11105	3.4
199.14761	1.9
201.12694	1.7
203.14296	20.6
207.11635	2.1
207.13788	5.5
208.12408	0.9
209.13234	4.8
209.15176	1.4
211.11189	2.3
211.14873	6.5
213.12723	2.1
215.14311	2.0
216.11426	0.8
219.11743	0.8
219.13728	1.3
221.15344	100.0
223.11053	1.2
223.14767	1.6
225.12769	1.3
225.16370	1.0
227.14317	1.4
227.17924	1.0
229.15828	2.5
231.13805	2.0
233.13243	1.7
233.15369	2.5
235.14784	1.7
237.12758	1.3
237.16351	1.4
239.14149	1.4
239.17990	1.0
247.14827	1.3
247.16943	16.0
249.16364	1.5
251.14330	0.9
251.17943	0.7
254.94678	0.7
257.15536	0.9
261.18594	1.1
271.16974	0.7
271.96329	0.7
275.17822	1.0
281.18954	2.0
285.18393	1.3
286.19379	0.9
287.20047	8.3
289.19476	1.0
299.20279	5.5
301.21655	2.5
311.20010	2.1
311.99802	0.7
313.21585	1.3
325.21683	1.6
327.23151	2.5
337.27386	0.9
351.23325	0.8
351.91663	0.6
365.24658	4.1
391.26291	9.0
413.26929	1.8
419.29446	2.9
427.28360	7.6
453.29962	1.5
507.34802	6.1
519.34491	3.4
581.40009	2.0
599.40875	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	595.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55543	7.6
55.01870	16.8
55.05507	15.1
67.05489	29.3
69.03421	19.8
69.07062	19.4
70.06588	25.5
71.60314	10.8
71.60742	10.5
72.08147	16.0
79.05478	26.6
81.03389	20.5
81.07053	42.0
83.08607	12.7
84.04494	20.9
85.02888	30.4
86.09692	27.0
86.40560	7.8
91.05479	24.9
93.07029	24.0
95.04950	15.7
95.08601	23.8
97.02873	23.6
97.10213	9.8
100.11226	11.4
103.05464	8.4
105.07045	15.6
107.04956	92.3
107.08590	19.3
109.02888	14.4
109.10147	20.3
111.04437	9.8
115.05481	7.7
119.04929	13.2
121.06522	17.6
123.04459	8.2
123.11701	8.2
125.09618	9.4
127.03910	22.5
130.05026	8.1
133.10094	8.1
136.07591	11.0
137.05968	29.4
147.04398	25.7
151.07486	17.1
157.10165	9.7
163.03877	18.1
163.07399	8.1
165.05211	8.0
167.07043	63.7
168.10248	11.6
177.05450	14.6
179.07069	8.5
181.04982	32.0
193.05077	8.5
195.06529	34.6
199.07378	8.4
207.06419	50.0
283.09482	44.3
284.10080	8.4
295.22668	8.4
301.10696	100.0
321.11169	10.8
325.10809	21.5
329.37906	9.8
343.12225	14.0
367.11707	12.3
379.11838	11.4
385.12695	12.8
397.12946	9.1
416.14584	19.1
595.21649	32.2
595.45691	16.3
596.26392	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	593.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.7
54.01717	5.3
54.71980	5.5
55.01857	9.0
55.05518	26.0
57.07065	21.0
64.03090	5.1
67.05509	55.5
69.03436	39.2
69.07061	47.6
70.06596	7.8
71.00546	5.2
71.03527	11.9
71.03869	5.3
71.05003	5.6
71.08596	6.1
71.84885	4.5
73.02909	8.3
79.05480	29.9
81.03407	13.6
81.06608	6.6
81.07058	90.8
83.08614	28.6
85.02915	50.9
85.10196	5.5
86.09694	12.5
87.00815	22.0
91.05429	26.6
93.06563	6.5
93.07049	56.7
95.04961	17.1
95.08607	100.0
97.02898	25.0
97.06497	7.3
97.10161	18.1
105.01859	24.3
105.07028	34.4
107.04974	10.4
107.08587	40.9
109.02850	20.8
109.06512	6.9
109.10162	73.3
111.08071	7.9
111.11668	5.7
119.08596	30.8
120.08082	5.3
121.10162	40.6
123.04322	6.1
123.11688	27.1
125.29524	5.4
127.03918	42.3
129.07022	8.2
131.08533	9.0
133.06514	6.0
133.10130	33.8
135.11690	26.3
137.05931	5.5
137.09558	9.2
137.13272	14.6
145.04982	9.2
145.10092	9.8
147.11688	27.7
149.13249	26.4
152.07117	6.5
159.02992	6.8
161.13246	20.2
163.11269	6.2
163.14809	13.9
165.12730	10.7
174.78896	6.2
177.16408	9.1
189.16422	7.9
217.19460	8.9
231.04892	10.6
273.22943	5.9
273.25809	45.2
275.20135	8.9
276.06259	5.1
291.26718	28.8
309.27914	11.5
443.89279	6.1
466.93893	6.2
520.87219	5.9
531.29089	6.9
575.27698	7.2
579.12439	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	594.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.1
55.05503	12.7
57.03423	5.4
67.05499	21.8
69.07054	10.2
70.77858	4.2
71.04996	5.4
71.60460	5.8
77.24024	4.3
79.05483	25.6
80.12450	3.8
81.03423	45.2
81.07059	29.9
83.04984	6.2
83.08624	17.1
84.32596	4.1
85.02888	5.6
91.05468	19.3
93.07031	18.3
95.04965	21.4
95.08587	11.1
97.06528	6.9
97.10154	15.7
99.89289	5.3
104.31001	4.9
105.07033	12.9
107.04947	15.3
107.08582	15.0
109.06492	12.2
109.10155	10.0
111.08067	4.9
117.06992	7.8
119.08539	13.1
121.06467	8.6
121.10150	13.4
123.08060	5.6
125.09652	14.4
129.07014	12.2
131.08609	11.4
133.10164	6.2
145.06480	5.2
147.11711	13.0
157.10086	4.2
189.11354	5.1
193.12253	13.2
212.83054	4.7
267.15869	24.0
273.14807	6.4
290.82504	4.6
303.65524	4.3
328.97678	4.3
349.21881	5.0
367.22647	19.5
385.23914	25.1
403.24893	8.5
441.26453	7.0
459.27414	100.0
477.28378	66.4
491.30240	9.0
509.31052	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	595.165
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.69683	0.2
53.03927	0.5
55.01862	0.4
55.05490	0.7
56.05015	0.4
57.03439	1.8
58.98814	0.2
60.04513	0.4
61.02922	0.4
68.99811	0.5
69.03427	1.2
69.52546	2.0
70.06260	0.4
70.06591	4.9
71.04990	12.9
72.08148	3.6
73.02931	0.4
74.06060	0.7
75.04476	0.6
81.03407	0.5
83.04980	0.7
84.04498	0.8
84.08144	1.7
85.00713	0.2
85.02905	16.2
85.07676	0.3
86.09702	3.9
87.04463	0.5
87.10035	0.3
97.02895	1.3
99.04418	0.4
101.07156	0.4
107.04967	0.4
109.02843	0.4
110.07170	0.5
111.00793	0.5
111.04417	0.6
120.08116	1.8
121.02852	1.7
127.03929	0.8
129.05499	3.7
129.10211	1.0
130.04980	0.3
136.07549	0.6
136.76294	0.2
137.02335	0.3
143.11795	0.8
145.04927	0.7
145.06497	0.3
147.04440	0.3
147.06488	1.0
153.01828	2.9
159.09096	0.3
161.05991	0.5
165.01871	1.6
165.05537	0.3
171.11302	0.5
173.12857	0.7
175.03841	0.3
177.05481	0.4
183.02907	1.0
201.12296	0.4
207.06783	0.3
213.05492	0.9
231.06516	0.3
241.05020	0.8
258.05276	0.9
279.82657	0.3
283.61118	0.3
287.05493	100.0
288.05853	2.0
329.06461	0.5
353.06503	0.2
383.07474	0.3
449.10959	0.8
453.33981	0.3
473.24118	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	595.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	27.2
67.05497	43.4
69.03399	30.2
69.07054	33.5
70.06584	17.4
71.51423	25.5
79.05484	37.1
81.03438	20.4
81.07069	100.0
83.08600	32.7
85.02880	35.3
86.09734	22.5
87.00823	19.1
89.13141	12.6
91.05486	37.9
93.07039	31.4
95.08597	61.7
95.38537	15.5
97.02865	14.9
98.09670	15.9
105.07034	21.7
105.49236	14.3
107.04935	34.4
107.08588	41.3
109.02891	14.0
109.10136	64.0
111.11717	14.4
113.85868	14.2
119.04926	15.8
119.08559	15.4
120.08128	16.9
121.06527	19.7
123.11704	17.2
127.03913	15.5
133.10152	16.1
135.11658	22.0
137.06021	18.5
137.13255	20.3
147.04405	23.0
149.13144	17.8
167.06979	44.6
177.05397	14.1
181.04895	80.9
287.05487	17.9
293.28409	34.7
416.14520	63.5
494.88785	14.5
531.66669	16.0
595.21399	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	595.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.05508	6.8
57.03431	6.0
64.79242	1.4
67.05500	29.5
69.03397	1.7
69.07056	7.4
69.40833	12.7
73.88602	1.2
79.05488	18.9
81.03418	15.6
81.07051	33.2
81.29534	1.4
83.08615	3.4
85.02909	2.2
85.70961	1.4
91.05472	8.0
93.07042	16.8
95.08602	27.5
97.06551	2.2
98.98457	31.2
98.99062	2.5
99.04497	1.6
105.07023	5.9
107.08595	10.8
108.19259	1.5
109.02869	10.3
109.10141	10.7
119.08559	4.0
121.10135	6.8
123.11683	3.7
127.03868	1.5
131.08565	2.6
133.10126	2.5
135.11694	4.0
145.10112	2.2
147.11656	2.7
149.13239	2.8
155.01067	2.1
159.11606	1.6
163.06091	1.9
173.02031	1.3
173.13213	2.4
175.14780	1.6
210.96278	1.5
211.21634	1.6
243.21213	2.6
261.03662	9.0
261.22134	4.9
317.24704	1.8
335.07364	2.7
335.25790	100.0
336.25974	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	595.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78886	1.7
52.22334	1.8
52.74628	1.6
53.03929	3.8
55.05521	9.6
56.92412	1.6
57.03434	7.7
67.05505	31.7
69.03420	1.8
69.07072	8.9
69.41286	15.9
70.06627	1.7
79.05492	18.2
81.03423	11.5
81.07053	33.3
83.08624	2.9
91.05450	10.0
93.07036	20.9
95.04955	2.5
95.08611	28.9
98.21488	2.9
98.98471	28.3
105.07053	7.9
107.08587	10.5
109.02893	8.6
109.10158	11.0
114.91821	1.6
117.07057	1.6
119.08573	4.8
121.10128	8.1
123.11729	2.0
123.22076	1.5
127.03900	1.9
131.08560	5.0
133.10129	3.0
135.11679	3.3
142.25903	1.5
145.10158	4.5
145.81950	1.7
147.11667	1.9
148.13187	1.7
149.13220	2.7
151.51752	1.5
163.14859	3.5
261.03674	9.2
261.22183	4.1
310.01135	1.7
317.24774	1.8
335.07294	2.0
335.25809	100.0
336.26022	2.5
439.94583	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	592.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43310	3.0
53.03928	5.1
55.05507	21.4
57.03429	5.3
57.07063	9.7
67.05508	34.0
69.03417	12.7
69.07072	52.1
70.58919	3.3
71.04986	9.5
71.51502	2.8
71.51956	3.1
79.05493	20.6
81.03451	6.7
81.06602	5.9
81.07055	94.7
81.60561	2.6
83.08617	28.6
85.02907	25.6
85.06537	3.5
87.00822	9.5
91.05478	18.0
93.07049	50.3
95.04957	3.8
95.08608	100.0
97.02882	6.4
97.06517	5.0
97.10162	13.3
99.04464	4.2
99.08068	3.8
105.01881	22.0
105.07050	18.8
107.08591	48.6
109.02879	3.4
109.10155	60.6
111.08039	5.4
111.11684	5.0
113.09646	4.8
119.08551	14.1
121.10137	35.5
123.11695	29.1
125.09666	3.9
127.03900	13.1
131.08525	5.6
133.10110	14.2
135.11693	20.3
137.13239	14.3
145.10107	4.1
147.11691	14.2
149.13255	43.0
151.11140	3.4
151.14641	3.7
161.13266	10.8
163.14810	34.9
167.14294	3.2
175.14868	7.3
177.16402	16.8
185.09671	3.0
189.16339	6.3
191.17917	6.5
203.18066	3.8
217.19508	9.8
231.04947	6.9
238.34261	3.7
249.06067	5.8
265.05582	3.0
273.25760	33.9
291.26785	79.9
303.64020	3.3
333.24329	7.5
333.27890	4.1
374.47519	3.4
381.27921	3.8
521.31195	7.4
593.28967	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	593.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.03950	1.5
55.01871	0.8
57.03434	0.5
57.46144	0.2
61.02931	0.3
62.19536	0.2
67.25406	0.2
68.99789	0.4
69.03431	2.6
69.88101	0.9
71.04971	0.5
73.02892	0.5
73.70116	0.2
79.05070	0.3
79.05490	3.8
80.05820	0.2
81.03423	2.8
81.07057	0.2
85.02905	3.0
87.00837	1.4
87.04404	0.2
91.05466	0.8
95.04961	1.6
97.02901	1.3
99.04449	0.8
105.01865	0.6
105.04498	0.4
105.07018	0.6
107.04955	32.0
108.05291	0.4
109.02875	1.9
115.05442	0.2
117.01844	0.4
117.07063	0.2
119.04933	0.7
121.02849	0.2
122.03597	0.2
123.11687	0.2
127.03922	2.0
129.01808	0.2
131.04942	1.0
133.06458	0.6
139.00208	0.2
144.05650	0.3
145.04996	0.5
145.06471	0.3
147.04308	0.2
149.05930	0.2
150.03264	0.2
153.01813	0.3
153.05424	0.3
154.06233	0.2
159.02940	1.0
159.04169	0.2
161.05991	0.4
163.03944	0.4
165.09131	0.2
169.04997	0.3
175.03833	0.2
176.04681	0.3
177.05507	0.6
178.06235	0.5
179.07065	0.2
181.04968	0.6
185.08142	0.3
190.06325	0.2
191.03391	0.5
193.05006	1.1
194.05719	0.7
195.06511	1.0
196.03662	0.5
196.07300	0.4
197.08076	0.2
199.02409	0.2
204.04143	0.3
205.04961	4.6
205.06725	0.3
206.05730	2.1
207.02867	0.2
207.06500	0.8
209.04445	6.1
209.09715	0.4
211.06001	1.7
218.05763	0.5
219.02850	0.3
221.04443	6.5
221.07701	0.9
222.05209	0.5
223.05971	1.6
224.06790	6.2
235.05995	0.5
236.06741	3.8
237.07509	2.4
237.09204	2.3
238.08040	0.3
238.10133	0.2
239.09146	9.4
240.09532	0.3
251.07126	0.5
251.09167	9.9
253.08601	0.4
259.77026	0.2
265.05682	0.3
265.08566	1.7
266.09344	0.6
267.10153	0.3
268.07181	0.3
269.08081	5.6
271.05954	1.8
277.08536	0.2
279.06543	0.7
280.07578	0.3
281.08008	0.6
283.09622	2.2
294.08749	0.9
295.06039	0.3
295.09607	1.0
296.10416	0.5
297.07574	9.4
298.07913	0.2
311.09155	1.7
312.09949	3.0
313.10483	0.2
327.12262	100.0
328.12616	2.9
345.13327	58.3
346.13715	1.4
369.13480	0.3
512.51483	0.2
606.92108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00902	1.7
53.03938	3.1
53.40556	1.5
55.01873	2.7
55.05272	2.0
55.05514	16.0
56.05030	2.1
56.26659	1.8
57.03430	3.9
57.07060	6.6
59.04988	2.7
62.59346	1.4
67.05505	20.3
69.03429	12.5
69.06683	2.2
69.07068	41.7
69.40720	13.4
70.06601	10.7
70.63901	1.7
71.04991	5.0
71.08595	2.0
72.08145	5.0
73.02903	2.2
77.53278	1.8
79.05482	11.2
81.03416	10.8
81.07053	100.0
83.04989	3.7
83.08620	14.9
84.04503	2.3
84.08141	8.6
85.02902	22.4
85.06541	13.2
86.09696	12.0
87.00844	8.9
91.05472	6.2
93.07037	24.2
95.04987	3.3
95.08607	66.8
97.02891	9.0
97.06516	5.8
97.10150	6.1
98.21529	2.9
99.04440	3.5
99.08071	6.1
100.11283	2.8
101.07144	2.8
105.01863	6.1
105.07020	10.3
105.31356	1.6
107.08593	21.8
109.02900	8.7
109.06451	1.8
109.10159	26.7
111.04382	1.9
111.08068	12.6
111.11745	9.3
119.04916	3.0
119.08568	4.5
120.08099	5.4
121.10142	13.9
123.11704	28.7
125.09649	2.4
125.13272	4.3
127.03905	12.0
127.11187	2.9
129.10321	1.9
131.08585	2.9
133.06511	2.5
133.10127	5.3
135.11729	14.0
136.07626	2.7
137.05962	4.2
137.13249	34.4
145.04976	3.5
145.06535	2.1
145.10112	3.1
147.11655	5.7
149.13255	25.4
151.07516	1.7
151.11182	2.0
153.12732	18.2
155.14301	13.6
159.02893	2.7
161.13275	2.2
163.03767	2.3
163.14795	7.1
164.77034	1.8
165.12723	3.5
167.07033	2.9
167.14276	6.5
171.13823	3.2
173.15387	6.3
175.03938	2.6
177.05496	2.7
181.04927	2.2
183.67668	1.8
205.19640	2.0
207.06500	2.0
209.18909	1.9
217.19542	1.9
239.23459	2.2
242.05821	3.2
273.25745	4.8
279.26831	6.3
285.07599	25.0
291.26868	14.9
297.27786	3.9
309.27847	30.9
315.29004	4.2
327.28992	7.2
329.56625	1.9
336.20990	2.0
345.30072	9.5
418.05453	1.8
593.19421	3.1
593.44647	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	593.2755
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.29967	3.8
84.52454	0.4
86.89920	0.4
88.32531	0.4
150.55981	0.4
185.85469	0.5
224.62585	0.4
371.97345	0.4
387.15945	0.5
389.17566	1.4
390.18674	0.6
391.19189	0.6
401.17850	0.9
402.18552	1.3
403.19205	2.5
404.20047	1.1
405.20868	1.9
406.21274	0.4
415.19522	0.7
416.20441	0.7
417.16187	0.9
417.21280	3.9
418.21884	2.0
419.22311	4.5
430.17462	0.9
431.18237	8.9
431.23492	0.6
432.18915	3.1
433.24170	7.0
434.24576	1.4
444.19327	0.6
445.19946	10.8
446.20740	5.0
447.21634	6.3
449.23737	0.5
459.21384	4.1
460.22559	12.6
461.23203	11.2
470.02853	0.4
473.23871	2.1
474.24332	0.7
476.25674	1.0
477.22485	0.5
487.25070	1.2
491.25156	0.9
492.25058	1.3
505.22131	8.6
519.24084	0.8
533.25452	29.6
534.25665	1.2
561.24976	0.7
564.23596	0.7
565.28528	1.0
593.27533	100.0
594.27844	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	592.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01853	0.4
55.05507	0.3
55.13834	0.2
56.05028	0.2
57.03420	0.4
60.04510	0.2
61.02907	0.6
63.02357	0.4
65.03931	0.3
67.05473	0.2
68.99759	0.4
69.03427	2.9
69.07070	1.0
69.63911	0.3
69.64321	0.7
70.06590	2.6
71.04975	0.4
71.06933	0.2
72.08142	0.9
73.02896	0.6
78.04702	0.3
79.05480	0.5
81.03410	2.5
81.07063	0.4
84.04488	0.5
84.08131	1.1
84.86462	0.1
85.02898	4.9
86.06068	0.8
86.09700	1.9
87.00823	1.6
87.04453	0.2
89.03912	4.2
91.03964	0.2
91.05471	2.8
93.07031	0.3
94.61012	0.1
95.04947	0.7
95.08624	0.2
96.08112	0.2
97.02885	1.5
97.06545	0.3
98.09678	0.2
99.04453	1.0
102.05542	0.3
103.03973	0.2
103.05437	0.3
105.01854	1.2
105.07051	0.3
107.04944	0.2
107.08626	0.2
108.08141	0.2
109.02875	2.5
109.10091	0.2
110.07154	0.3
115.08637	0.2
116.10725	2.0
117.03373	14.4
117.07089	0.2
119.04922	2.2
119.08543	0.5
120.08080	0.7
121.06451	0.2
123.08052	0.2
124.05238	0.2
124.07551	0.2
127.03908	4.5
129.01842	0.3
129.10204	0.3
134.03581	1.0
135.04408	1.2
136.05214	0.3
136.07573	0.6
137.05949	0.6
137.09590	0.2
142.08614	0.3
143.08499	0.2
145.02835	44.3
145.04805	1.3
146.03154	0.5
147.02846	0.3
147.04346	0.3
149.05960	5.3
151.07529	6.5
158.05959	0.3
159.02896	1.4
162.03140	0.4
163.03874	0.7
168.10188	1.0
169.08812	0.2
171.28915	0.2
175.34442	0.2
177.05457	100.0
178.05783	1.3
184.28891	0.2
186.05493	1.6
194.08141	0.9
210.46008	0.2
212.16373	1.0
213.03961	0.3
219.06522	0.2
230.17488	3.0
231.04997	1.0
261.09207	0.2
278.17325	0.3
316.21103	0.5
344.14908	22.5
345.15231	0.6
392.22717	0.5
416.15485	2.9
430.27917	0.7
529.59369	0.2
592.20667	0.3
592.30194	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	590.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29406	0.7
53.03951	0.8
55.05500	1.6
55.70684	0.5
56.05028	1.2
61.02921	0.8
65.03926	0.8
67.05500	7.6
68.95406	0.6
69.03426	2.3
69.07058	9.0
70.06582	7.6
70.77652	0.7
70.77988	1.4
71.04985	9.1
72.08145	2.5
79.05485	8.9
81.03411	2.0
81.07050	8.6
83.04967	2.9
84.04498	1.5
84.08129	2.2
84.12981	0.5
85.02896	3.9
85.06554	1.2
86.09698	100.0
87.00814	1.8
87.04459	1.2
87.10007	1.4
91.05471	21.9
92.05067	0.5
93.07037	5.2
94.07359	0.8
95.04955	1.7
95.08611	2.6
97.02936	1.6
99.04437	1.4
102.05527	0.6
103.05468	0.9
104.62489	0.7
105.01888	0.8
105.07021	18.1
107.04935	2.4
107.08590	6.0
109.02895	0.8
109.06498	2.2
110.07118	1.0
111.08073	0.8
117.07021	1.6
119.08566	10.9
120.08093	2.2
121.10123	3.4
123.08086	1.3
123.11720	0.6
125.06018	2.9
127.03892	2.5
128.10686	0.7
129.06996	3.3
129.10240	1.5
130.93639	0.6
131.08556	7.2
132.10191	41.9
133.06485	5.0
133.10114	17.4
133.29944	0.6
135.11674	2.4
136.07581	1.2
137.05971	0.7
142.07768	1.4
145.10118	2.5
147.08037	8.3
147.11674	14.0
149.09605	5.3
149.13197	3.2
151.07538	0.8
151.11165	4.0
157.10089	2.0
163.11136	0.9
165.12883	1.1
175.11165	18.3
177.05466	0.8
178.22571	0.6
192.13817	2.1
193.12216	21.9
193.13898	1.2
208.16982	1.7
248.20154	0.9
254.17497	7.2
260.20135	4.7
278.21103	9.5
287.18463	1.0
294.20636	3.8
306.20599	15.3
324.21658	84.0
325.21967	2.1
342.22748	20.5
390.55484	0.7
590.16705	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	590.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.2
56.05032	0.5
57.14935	0.2
58.06610	0.3
59.07415	0.2
60.08162	6.1
63.73124	0.2
65.77688	0.2
67.05502	0.3
70.92834	0.5
71.07364	2.7
79.05474	0.2
81.07065	0.2
86.09702	28.8
87.10022	0.2
93.07037	0.2
95.08636	0.2
98.98452	2.7
104.10734	2.5
113.86458	0.2
124.99996	18.9
143.01071	0.4
168.10205	0.7
169.60323	0.2
179.14308	0.3
184.07330	100.0
185.07690	0.7
333.27911	0.2
335.80231	0.2
413.98282	0.2
528.31012	0.2
572.36865	0.8
590.38092	2.5
591.38672	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	591.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
53.36018	1.7
55.01871	3.3
55.05507	8.7
56.05030	3.4
57.03438	2.5
57.07056	4.5
59.04994	2.8
61.02918	2.7
67.05501	20.0
69.03432	11.8
69.07067	43.2
70.06591	28.6
71.04985	6.0
71.06930	2.1
71.08630	2.3
72.08148	13.9
73.02904	2.5
76.02232	2.0
76.84180	1.9
79.05489	15.0
81.03416	10.3
81.07053	100.0
82.07404	2.9
83.05000	2.6
83.06095	3.6
83.08610	5.3
84.04493	7.6
84.08148	8.0
85.02905	16.6
85.06537	8.5
86.09708	25.0
87.00819	3.7
88.04021	2.6
91.03958	2.4
91.05492	16.4
93.07037	32.7
95.04979	7.1
95.08606	48.4
97.02898	9.2
97.06519	5.6
97.10160	4.4
99.04460	3.9
99.08096	5.6
102.05566	3.6
103.05469	2.4
105.01855	4.5
105.07019	19.3
107.04948	3.7
107.08591	30.7
109.02884	7.2
109.06517	6.3
109.10163	33.4
110.07178	7.4
111.08074	30.5
111.11695	7.1
113.09695	2.6
116.07101	2.5
117.06970	4.4
119.04929	4.6
119.08563	17.8
120.08095	14.4
121.06511	2.6
121.10153	22.1
123.08083	3.7
123.11703	72.0
125.09618	4.5
127.03899	14.9
129.06728	2.3
129.10242	6.2
130.05038	3.5
130.08678	2.2
131.08553	6.1
133.10133	14.0
135.11676	15.4
136.07576	3.5
137.06001	6.6
137.09607	3.8
137.13245	5.8
139.11176	12.3
145.02808	3.4
145.04991	6.4
145.06479	2.8
145.10114	7.7
147.04434	6.4
147.07996	2.4
147.11693	14.4
149.13344	9.2
151.11203	16.9
152.07114	2.2
153.12740	6.5
159.11699	9.2
160.07610	2.3
161.13251	6.2
163.03911	2.0
163.14841	8.5
164.07076	2.5
165.12753	4.1
167.07050	2.0
168.10301	2.3
169.12276	3.5
173.13293	3.4
175.03938	3.6
175.14806	5.8
177.05470	8.9
177.16360	7.5
179.14264	2.3
189.16414	4.5
201.16386	2.4
203.17976	4.1
207.06583	7.0
215.17996	4.8
231.04887	4.0
233.18977	3.2
245.22763	3.6
271.24152	10.5
277.21600	3.2
277.25323	4.9
289.25278	24.4
307.26303	66.0
324.11752	2.2
325.27393	3.8
584.09503	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	592.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.2
51.02383	0.1
52.14485	0.1
53.03939	0.6
54.58121	0.1
55.01865	0.3
56.05021	0.3
57.03430	0.5
60.04526	0.1
61.02908	0.5
63.02370	0.4
63.70599	0.2
68.99794	0.2
69.03429	2.7
69.27988	0.9
69.28416	0.6
70.06590	2.2
71.04963	0.4
72.08154	0.8
73.02907	0.3
79.05476	0.2
79.96019	0.2
81.03408	2.4
84.04514	0.3
84.08150	0.8
85.02901	5.0
86.09708	1.5
87.00815	1.9
89.03907	4.1
91.05470	2.6
93.07046	0.2
95.04960	0.6
97.02887	1.7
97.55605	0.1
98.21469	0.3
99.04456	1.0
103.05476	0.4
105.01872	1.1
105.07038	0.3
109.02885	2.0
110.07163	0.3
116.07056	0.2
116.10723	0.1
117.03374	13.7
119.04950	2.2
120.08093	0.6
121.06524	0.3
121.08362	0.2
127.03912	3.2
129.01830	0.3
129.10228	0.6
130.04977	0.2
134.03650	1.0
135.04425	1.0
136.05179	0.3
136.07573	0.3
137.05948	0.5
138.14909	0.1
145.02840	42.4
146.03233	0.8
147.02858	0.1
147.04364	0.4
149.05974	5.1
151.07532	5.7
159.02911	1.0
160.05302	0.2
162.03143	1.5
163.03856	0.8
168.10168	0.7
175.07582	0.1
177.05460	100.0
178.05798	1.4
186.05484	1.6
194.08157	0.4
212.16325	0.2
213.03979	0.2
219.06509	0.2
230.17514	0.4
231.04956	0.5
344.14911	24.6
345.15289	0.6
416.15533	1.2
592.18378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.26355	0.2
51.40303	0.1
53.00319	0.2
53.03943	0.7
55.01865	0.6
57.03432	0.5
60.04536	0.2
61.02922	0.5
63.02381	0.4
68.99808	0.2
69.03428	3.1
69.90875	0.3
69.91289	0.6
70.06585	2.1
71.04983	0.4
71.06919	0.2
72.08147	1.0
73.02919	0.5
74.06106	0.2
77.03954	0.2
78.04764	0.2
81.03412	3.0
84.04502	1.2
84.08144	0.7
85.02902	5.9
86.09702	2.3
87.00832	1.6
88.66326	0.1
89.03912	4.6
91.05493	0.8
95.04942	0.2
97.02876	1.6
99.04439	1.0
101.07117	0.2
102.05540	0.6
103.03934	0.2
103.05465	0.3
105.01865	1.9
106.04161	0.3
107.04933	0.3
109.02876	3.4
110.07160	0.3
111.53494	0.2
115.05453	2.2
117.03371	15.7
117.07000	0.3
119.04933	0.6
120.08106	0.5
121.06497	0.3
125.02379	0.2
127.03911	5.5
129.01833	0.4
129.10248	0.3
130.04980	0.2
132.04495	0.2
132.10109	0.3
134.03618	1.1
134.05981	0.4
135.04419	1.2
136.07506	0.2
137.05980	1.9
143.04916	1.4
144.05696	0.5
145.02837	45.9
145.04919	2.0
146.03191	0.6
147.02847	0.3
147.04373	0.5
149.04784	0.4
149.05978	6.2
151.03897	1.2
152.07047	0.3
158.05943	0.4
159.01620	0.3
159.02863	1.5
160.05196	3.3
161.05971	0.7
162.03152	1.4
163.03879	0.8
166.08621	0.9
175.06320	0.2
175.07530	9.3
177.05457	100.0
178.05737	1.4
186.05502	1.5
189.03958	0.2
192.06570	0.6
197.12863	0.2
201.05438	0.3
206.08116	0.3
207.06538	0.2
213.03807	0.3
215.06972	0.3
215.13979	0.2
218.08107	13.7
219.06438	0.5
219.08379	0.2
225.12585	0.2
231.04936	1.5
249.06021	0.2
261.07587	0.5
285.07458	0.3
342.13333	17.3
343.13550	0.5
382.96915	0.2
428.16071	0.4
546.09991	0.2
563.79889	0.2
590.18475	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	591.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.05500	12.9
57.03424	11.6
57.07073	34.6
60.80188	2.9
61.63954	2.8
67.05506	39.2
69.07063	16.7
69.64523	20.5
71.08629	28.4
78.29159	2.9
79.05492	24.4
80.47556	2.9
81.07053	58.0
83.08608	13.2
85.06538	4.4
85.10191	13.7
91.05479	14.6
93.06564	3.5
93.07049	35.3
93.60000	2.6
95.08603	53.5
97.10202	5.7
98.21555	5.6
103.05581	2.6
104.81404	2.7
105.07049	7.6
107.08601	26.9
109.10140	29.2
117.07030	4.5
119.08579	9.7
120.79017	2.9
121.10152	23.3
123.11727	17.9
130.95091	3.0
131.08549	12.6
133.10130	13.2
135.11700	15.7
137.13249	4.7
145.10114	8.2
147.11638	5.1
149.13219	10.7
159.11679	7.6
161.13246	5.5
163.14853	6.3
165.51306	3.0
173.13225	10.1
187.14857	5.5
189.16351	3.6
201.16422	3.4
243.21147	15.7
257.24838	3.5
261.22141	72.4
313.10406	3.0
313.27362	100.0
317.24680	12.9
335.25760	66.2
407.75616	3.6
573.48694	22.7
591.49634	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	586.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14239	1.3
51.13704	1.2
53.20568	1.2
55.05490	5.8
56.05018	3.1
57.07076	8.7
60.04234	2.0
60.04525	39.3
67.05497	11.1
69.07067	7.5
70.06579	1.7
71.04986	2.0
71.05322	3.4
71.08629	5.6
72.04513	1.8
74.06085	2.4
74.64751	1.2
79.05484	3.9
81.03392	4.2
81.07050	12.7
82.06581	2.0
83.08633	6.5
85.10176	2.8
91.05471	4.2
93.07037	4.3
94.06577	2.6
95.04928	2.6
95.08608	17.3
97.10161	2.3
102.05540	4.3
104.02541	1.8
105.07024	3.8
107.08575	3.1
109.10138	5.0
111.11681	1.4
119.08580	3.3
123.11684	2.4
133.10149	1.9
170.18773	1.5
173.65169	1.3
224.23749	1.6
228.23166	6.9
245.22736	2.1
252.23160	8.2
262.25317	12.1
263.23700	5.1
280.26321	15.9
298.27377	5.4
302.37680	1.6
312.25366	1.6
340.28464	3.7
358.29382	4.1
360.15381	1.4
427.82587	1.5
472.45407	2.5
490.45868	5.5
500.38113	1.7
508.47278	100.0
509.47449	3.4
516.77557	1.7
526.48120	8.9
550.48267	26.6
568.49365	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	588.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30643	0.8
53.52097	1.0
70.06580	3.3
71.50700	1.0
72.08142	1.1
84.04501	9.1
84.08140	55.2
86.06068	8.5
86.09685	1.5
89.05728	1.0
94.01083	0.9
96.04432	0.9
101.10784	2.2
102.05541	8.4
112.08757	0.9
112.20143	1.0
112.49193	1.0
114.05534	10.4
114.48463	0.9
115.08718	4.8
116.71850	0.9
121.06513	1.6
123.04364	1.1
129.10236	28.5
130.08632	16.7
135.04449	1.1
137.05968	1.5
139.08701	1.0
141.10196	1.6
143.08157	5.1
147.11296	9.8
152.07082	2.2
155.08107	1.4
157.09781	1.7
169.09694	1.2
173.09239	2.6
185.09203	41.1
186.12328	4.6
187.10826	2.8
201.08714	4.6
204.13419	27.4
228.13496	2.7
256.12897	14.3
258.10837	1.7
272.12485	1.7
315.16617	8.6
333.17728	7.6
379.39993	1.0
385.17212	4.8
404.21460	3.9
442.19650	1.8
464.09155	1.0
475.25073	4.2
570.28522	1.3
588.29834	100.0
589.30060	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	588.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
58.06604	0.3
58.43124	0.2
60.08160	5.8
67.05486	0.3
69.14466	0.2
71.07362	3.3
71.52711	0.3
79.05485	0.2
81.07073	0.3
86.09701	31.1
87.10023	0.2
98.98459	3.7
104.10740	3.0
109.10212	0.4
119.67423	0.2
124.99995	21.2
143.01056	0.4
184.07330	100.0
185.07614	0.3
206.81093	0.2
244.88676	0.2
425.38254	0.2
487.59286	0.2
492.70203	0.2
570.35199	0.9
588.28668	0.2
588.36621	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	589.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51585	1.7
53.03945	3.4
55.01865	3.1
55.05506	9.8
56.57431	1.7
57.03420	6.1
57.07077	4.4
67.05502	18.2
69.03429	4.0
69.07069	55.0
70.06583	6.4
70.69119	3.5
71.04989	3.6
72.08167	3.0
77.77589	1.7
79.05485	18.4
81.03428	3.9
81.07051	79.4
83.04983	2.8
83.08609	4.6
84.04536	1.9
84.08129	2.6
85.02894	6.1
85.06539	7.1
86.09705	3.9
87.04481	2.1
91.05471	18.2
93.07039	73.0
95.04959	14.4
95.08604	52.5
97.02880	2.6
97.06524	6.2
97.10160	4.1
99.08116	2.3
103.76477	1.7
105.07034	22.3
107.04923	1.8
107.08586	24.0
109.06516	6.9
109.10135	19.1
110.07138	3.1
111.08086	6.0
111.11702	4.6
117.06993	2.8
119.08583	15.8
121.06448	3.8
121.10141	52.4
123.08070	6.9
123.11700	100.0
125.09618	4.4
127.03915	5.2
131.08569	6.1
133.10117	11.7
135.08009	2.0
135.11708	10.1
137.13268	3.6
139.11208	12.4
145.10095	8.1
147.11647	12.4
149.09633	6.7
149.13214	10.4
157.10141	2.6
159.09192	2.2
159.11703	6.5
159.39220	1.7
161.13257	3.4
163.14783	3.4
165.12773	3.2
167.10675	22.1
171.11737	2.3
173.13286	5.2
175.14859	3.6
177.16351	4.5
187.14777	4.1
189.16402	2.7
199.14735	2.6
201.16425	2.1
213.16434	3.7
249.18457	2.4
269.22684	6.2
287.23538	5.7
305.24728	10.0
323.25800	30.0
542.66882	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	586.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.9
56.05064	1.2
57.06794	1.9
57.07074	34.0
69.07064	2.1
69.26099	6.8
69.26530	4.5
71.08633	25.9
73.06550	8.8
81.07036	1.4
83.08619	2.6
85.10181	21.5
87.04478	6.1
89.06029	100.0
91.07558	1.4
97.10153	4.0
99.11721	3.3
105.07006	1.3
107.07055	3.5
107.08566	1.4
111.11752	1.5
113.13338	1.3
117.09101	7.3
119.08564	1.9
130.08614	3.9
133.08598	48.6
155.17935	3.5
161.11786	1.8
177.11206	20.4
199.20544	4.7
221.13829	2.5
239.14883	1.8
240.23271	1.5
243.23157	7.8
283.17508	2.3
287.25803	4.9
319.90469	1.3
327.20020	1.9
371.22971	1.6
415.25293	3.9
466.42551	1.1
569.42542	6.0
586.45007	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	584.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.9
53.03942	1.8
55.01863	1.7
55.05507	2.7
56.05028	1.9
57.03434	1.0
60.04503	1.6
61.02918	2.2
67.05483	7.4
69.03429	6.0
69.07072	1.9
69.64784	7.9
70.06587	15.5
71.04983	2.8
71.13291	0.9
72.08148	7.3
76.78901	1.0
77.09596	1.2
79.05483	16.6
81.03401	2.4
81.07056	10.0
83.04967	3.8
83.06078	1.0
84.04506	4.8
84.08139	5.6
85.02905	12.8
86.09712	6.6
91.05473	7.1
93.07029	2.9
95.04989	4.9
95.08620	3.1
97.02882	5.2
97.06535	5.4
99.04453	7.8
102.05551	1.9
105.07040	7.8
107.04945	21.3
107.08576	2.4
109.02871	3.4
109.06505	4.1
109.10154	29.7
110.07164	3.5
111.04445	3.0
117.07054	1.2
119.08588	10.8
120.08096	2.8
121.06500	3.1
123.04436	2.6
125.05977	3.9
127.03895	3.2
128.06206	4.2
129.06969	3.6
129.10237	4.7
131.08549	1.2
133.10118	12.5
135.04399	1.2
135.07947	1.2
136.07579	2.6
137.05992	1.5
137.09615	54.0
143.07028	2.9
143.08549	13.1
145.04933	4.4
145.10088	3.6
146.07263	3.0
147.08034	21.1
151.11241	1.5
152.07100	3.9
161.09610	98.4
162.09918	1.9
163.03963	1.4
163.06105	1.4
163.07526	1.7
163.11208	3.5
165.09108	95.8
171.08051	1.8
173.09285	1.1
174.06732	2.3
177.05377	2.2
179.10660	10.2
189.09108	12.0
191.07126	0.9
197.11743	3.2
207.10149	100.0
208.10551	1.1
225.11209	92.0
226.11658	1.6
243.12209	7.2
378.72528	1.2
551.10858	1.0
584.28784	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	584.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53187	0.7
55.05508	1.0
62.20891	0.6
67.05499	1.0
68.88577	0.6
70.48319	1.4
70.48714	1.6
79.05486	3.4
81.03396	0.7
81.07053	2.2
86.80183	0.6
93.07040	1.1
95.04982	1.2
95.08604	1.3
96.24555	0.6
105.06982	0.7
106.06546	5.5
107.04954	30.2
109.02869	2.7
117.05267	0.6
127.56325	0.6
134.06021	7.6
135.04410	23.0
135.37691	0.6
152.07063	100.0
153.07452	0.9
184.07314	1.3
332.25378	0.6
335.25885	2.0
387.39578	0.7
411.10648	0.7
614.20880	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	586.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36395	1.1
57.07073	6.9
58.06579	2.5
67.05485	1.3
70.06587	18.5
70.16315	3.6
71.08630	2.2
73.78955	1.0
74.06064	1.2
88.07098	1.9
88.07627	22.6
92.57286	1.1
102.09184	12.6
115.23294	1.1
126.43821	1.1
149.02332	43.8
184.07378	1.6
193.04959	49.9
221.25252	1.0
228.23219	50.6
269.04434	1.8
297.03915	1.5
313.07220	2.7
341.06519	9.6
359.07657	4.9
385.09171	49.6
529.91577	1.1
586.30048	100.0
587.30377	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	583.4145
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
55.05496	4.8
57.07058	5.3
59.04989	2.6
67.05502	11.9
69.03420	3.5
69.07072	5.9
69.35940	9.4
79.05498	8.2
81.03412	1.2
81.07055	13.3
83.04983	1.9
83.08626	2.1
85.06563	2.1
85.73258	1.2
91.05474	16.3
93.07046	24.9
95.04972	4.1
95.08602	20.6
97.06541	1.4
97.10162	1.2
98.21468	2.3
103.26321	1.2
105.07026	27.8
107.04951	1.4
107.08595	12.1
109.06518	5.2
109.10152	8.5
117.06992	6.1
119.08578	23.7
121.06490	4.7
121.10139	19.2
123.08070	12.9
123.11665	2.3
128.06256	3.3
129.07014	3.8
130.07816	2.1
131.08553	10.6
133.06483	1.2
133.10130	13.1
135.08057	4.7
135.11700	3.5
137.09610	6.9
142.07797	8.4
143.08565	12.1
144.09270	1.8
145.10115	16.1
147.08037	14.0
147.11662	5.3
149.09570	2.1
151.07532	17.6
153.06972	1.6
155.08611	5.1
156.09378	7.3
157.10110	20.3
158.10968	2.6
159.08057	1.9
159.11674	9.4
161.09650	3.5
161.13232	5.8
163.11168	2.7
165.07024	1.9
165.09103	27.4
167.08549	3.3
168.09361	2.3
169.10118	8.9
170.10933	2.8
171.11687	15.7
172.12547	1.7
173.13243	8.3
175.11244	2.2
175.14833	2.0
179.08574	5.5
180.09267	1.5
181.10155	6.1
181.12175	2.3
182.10899	4.2
183.11707	10.7
185.13258	11.8
187.14862	2.4
189.12688	6.2
191.10626	1.4
193.10162	5.3
194.10953	4.0
195.11699	7.9
196.12457	3.0
197.13257	7.5
199.14893	3.3
201.16283	1.5
203.14313	11.7
206.10925	2.8
207.11690	6.2
207.13823	7.4
208.12454	2.9
209.13211	10.3
209.15077	1.4
210.13969	1.4
211.14832	5.9
213.16336	1.9
215.14235	1.7
219.11777	2.0
220.12450	3.5
221.13243	7.1
221.15329	53.5
222.13913	1.8
223.14825	5.9
225.12573	1.4
225.16284	2.5
229.15802	1.7
231.11763	1.7
231.17517	2.5
233.13278	3.3
235.14761	4.4
236.15599	2.3
237.16397	3.6
239.17995	1.9
247.14758	2.2
247.16959	2.1
248.15698	1.6
249.16281	2.8
251.14041	1.6
251.17920	1.7
253.19548	3.0
257.19019	2.7
259.14893	3.5
261.16443	1.9
263.18002	3.3
265.19571	3.2
269.18906	2.0
275.18063	2.7
277.19589	2.3
279.21155	2.1
281.19052	2.3
283.20636	2.9
287.20346	3.1
289.19443	1.7
295.20544	3.5
297.22205	4.2
347.23883	1.4
349.25146	2.4
352.24011	2.5
357.25705	3.0
365.24777	2.7
375.26852	4.7
385.28757	2.1
403.30063	8.9
442.71506	1.2
503.35321	3.7
509.33939	2.6
547.39221	2.5
565.40375	29.0
583.41418	100.0
584.41913	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05507	6.5
57.07081	6.2
59.04992	2.6
65.03934	1.3
67.05501	10.7
67.84801	1.0
69.03426	4.4
69.07070	7.0
71.25468	2.0
78.87363	0.9
79.05497	11.1
81.07056	17.6
83.04980	3.1
83.08650	2.5
85.06553	2.1
91.05473	16.9
92.47010	1.0
93.07040	27.7
95.04987	4.8
95.08605	24.4
97.06529	2.6
105.07030	32.3
107.04947	1.3
107.08588	15.9
109.06531	4.2
109.10149	7.7
111.08080	1.4
115.05474	1.2
117.07024	6.6
119.08578	29.4
121.06536	2.6
121.10153	20.2
123.08070	16.3
123.11730	2.3
125.05997	2.3
128.06204	2.2
129.07031	6.4
130.07802	2.8
131.08565	12.1
131.23018	1.0
133.06541	2.0
133.07610	0.9
133.10135	14.5
133.94705	1.1
135.08041	8.6
135.11661	2.9
137.06046	1.0
137.09610	9.8
141.07004	3.2
142.07768	9.0
143.08562	15.5
144.09381	3.0
145.06441	1.2
145.10123	22.3
147.08051	17.1
147.09114	1.8
147.11693	5.0
149.09660	3.2
151.07544	20.5
151.08688	1.7
152.13335	1.0
153.06960	1.2
155.08536	7.2
156.09326	7.8
157.10121	25.2
158.10913	2.1
159.08098	1.3
159.11682	14.5
161.09645	3.1
161.13254	4.8
163.11137	5.3
165.07005	2.8
165.09108	30.7
167.08566	3.6
167.10689	1.5
168.09427	2.3
169.10133	9.9
170.10930	4.4
171.11681	15.1
172.12456	1.6
173.09662	2.2
173.13258	7.0
175.11192	1.4
175.14851	2.3
179.08578	4.6
179.10641	0.9
180.09373	2.4
181.10114	5.5
181.12256	1.7
182.10954	3.9
183.11691	12.5
184.12480	1.3
185.09644	1.1
185.13237	11.8
185.14687	1.3
187.14821	3.5
189.12723	5.8
191.14424	1.3
192.09396	1.8
193.10141	6.7
194.10966	4.2
195.11702	11.2
195.13596	1.6
196.12532	3.2
197.13254	12.0
198.14301	1.3
199.14880	4.2
203.14307	13.3
205.10280	1.8
205.29189	1.1
206.10939	2.8
207.11731	6.2
207.13826	6.6
208.12451	3.3
209.13249	11.3
210.14038	2.2
211.14877	5.9
212.15651	1.4
213.12862	1.4
213.16341	2.7
219.11685	2.8
219.17358	4.6
220.12595	2.4
221.13298	6.3
221.15338	52.7
222.14005	2.4
223.14789	6.1
225.16345	2.8
227.14456	1.3
231.11761	1.7
231.17496	2.9
232.12498	1.3
233.13232	4.9
234.13969	1.8
235.14775	4.8
236.15504	1.4
237.16455	2.8
239.17972	2.1
245.13376	1.9
246.14131	2.0
247.14857	2.8
247.17056	1.1
248.15446	1.2
249.16486	4.3
251.17969	2.6
257.19077	3.3
259.14975	2.6
260.15723	1.6
261.16452	2.0
263.17944	1.7
265.19574	3.4
269.19037	1.2
271.20633	2.9
273.16458	1.6
275.17767	2.2
277.19611	2.3
279.21082	2.6
281.19055	1.5
283.20578	4.8
286.19434	1.4
287.20386	1.5
289.19464	1.3
291.17679	1.3
291.21021	1.4
292.14212	1.0
295.20526	3.3
297.22137	4.6
299.20471	1.4
309.22104	1.2
315.21252	2.2
347.23941	1.3
349.25360	2.7
357.25885	2.4
365.25021	2.7
375.26694	6.4
385.28903	1.3
403.29919	10.1
415.97006	1.1
503.35318	5.2
509.34189	2.0
514.65717	1.1
547.39203	3.4
565.40332	29.4
583.41486	100.0
584.42609	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03638	1.2
53.03939	3.5
55.01854	1.3
55.05503	17.4
57.07069	10.4
59.04989	5.0
65.03929	4.1
67.05497	23.1
69.03419	9.9
69.07063	18.1
69.24599	11.6
71.04966	1.8
71.08623	1.1
77.03926	1.5
79.05484	26.9
81.03412	1.7
81.06591	2.3
81.07050	33.3
83.04981	8.2
83.08618	9.0
85.06534	6.6
91.05471	46.0
93.07034	54.6
94.84512	1.0
95.04966	11.1
95.08595	37.6
97.06529	3.9
97.10175	2.2
99.08089	1.3
103.05460	4.1
104.06213	1.9
105.04535	1.7
105.07021	79.6
107.04955	1.8
107.08582	43.3
107.09310	2.4
109.06500	11.3
109.10143	20.7
111.08088	4.0
113.09660	1.2
115.05430	6.6
116.06232	1.8
117.07002	17.9
118.07819	1.6
119.08569	87.9
121.06494	4.7
121.10136	50.3
123.08054	22.2
123.11674	6.0
125.05988	3.2
125.09637	2.4
128.06197	12.2
129.07004	18.9
130.07765	8.4
131.08554	40.2
133.06509	2.4
133.07677	1.1
133.10120	41.8
135.08057	11.0
135.11694	13.8
137.09605	12.8
139.11145	2.6
141.06996	11.1
142.07773	29.0
143.08543	44.3
144.09354	8.4
145.06462	2.8
145.10109	52.8
147.08022	20.4
147.11674	16.4
149.09618	7.0
149.13252	4.6
151.07521	15.7
153.06944	5.4
153.09117	1.5
154.07770	3.9
155.08539	17.3
156.09340	19.3
157.10110	58.3
158.10878	9.3
159.08078	4.4
159.11684	30.5
161.09636	7.2
161.13243	8.3
163.11189	8.9
165.07018	8.2
165.09093	40.6
166.07790	4.6
167.08569	12.0
167.10635	10.7
168.09357	8.7
169.10118	31.4
170.10872	9.7
171.08020	1.5
171.11682	37.8
172.12434	1.9
173.09634	3.3
173.13266	23.8
175.11215	4.6
175.14809	8.5
177.12694	2.0
178.07814	2.5
179.08553	15.7
180.09317	8.2
181.07480	1.1
181.10130	16.8
181.12177	7.3
182.10867	9.4
183.11679	29.8
184.12454	6.5
185.09651	2.6
185.13245	19.9
187.11192	2.5
187.14774	6.8
189.12662	8.5
191.08624	3.1
191.14301	9.6
192.09346	5.9
193.10124	17.1
194.10896	12.3
194.12505	1.2
195.11693	26.4
195.13605	1.3
196.08723	1.0
196.12456	6.9
197.09593	2.0
197.13239	22.5
198.14015	1.7
199.11226	3.4
199.14799	18.5
201.12659	2.7
201.16400	4.2
203.14302	18.6
204.09323	1.7
205.10187	5.6
205.12013	1.4
206.10953	8.8
207.11711	19.4
207.13821	7.3
208.12488	6.7
209.13249	29.5
209.15100	1.6
210.10356	1.2
210.13963	4.5
211.11217	2.0
211.14807	11.6
212.15607	1.5
213.12831	2.7
213.16383	4.2
215.14369	2.9
217.10158	3.7
217.15866	10.2
218.10930	5.0
219.11697	9.4
220.12482	4.9
221.13246	18.0
221.15402	74.2
222.14090	4.9
223.11247	1.7
223.14812	16.3
224.15645	1.7
225.12735	2.1
225.16364	7.0
227.14413	2.0
227.17995	1.6
229.10185	1.7
229.16022	1.7
230.10843	2.5
231.11667	7.7
231.17365	3.5
232.12366	5.2
233.13264	12.0
233.15379	5.6
234.14015	3.5
235.14767	14.2
236.15721	2.5
237.12711	2.5
237.16357	9.0
238.17122	1.6
239.14328	2.2
239.18013	3.9
241.15913	2.6
243.11807	3.0
243.17413	1.3
244.12521	4.2
245.13234	9.9
246.14066	4.5
247.14838	8.3
247.17020	3.0
248.15613	2.9
249.16339	10.3
250.17241	3.1
251.17986	4.7
253.15848	2.2
253.19498	2.1
255.17439	1.8
257.13239	2.9
257.19006	8.0
258.14011	3.0
259.14743	6.6
260.15533	6.0
261.16327	10.2
262.17285	1.3
263.17899	7.5
265.16751	1.5
265.19394	7.1
267.17447	1.4
269.18979	3.6
271.14532	2.3
271.20584	3.1
272.15533	1.8
273.16208	6.9
274.17108	3.3
275.17865	11.5
275.20279	1.3
277.19565	3.7
279.17654	2.1
279.21127	2.8
281.19016	3.2
283.20526	15.8
284.15491	1.5
285.16260	2.1
287.17673	2.9
287.20200	3.7
289.19455	5.3
290.20401	2.1
291.21146	2.9
293.19003	2.6
295.20523	4.6
297.16254	1.5
297.21945	5.2
299.20364	2.0
300.20959	2.6
301.19220	2.4
303.20920	1.3
307.20517	2.1
309.22177	2.3
311.20444	1.5
313.19382	1.6
315.21115	2.3
316.21912	1.4
317.22647	2.1
329.22580	2.4
331.24124	5.3
335.23907	2.4
343.24280	2.7
347.23969	2.1
349.25165	7.6
357.25980	2.7
359.23868	1.4
361.25134	1.9
365.24832	2.8
366.25534	1.4
375.26624	8.7
385.29047	1.5
403.30014	8.1
425.28552	1.5
427.30212	1.3
450.23099	1.4
465.31961	1.2
491.35114	5.0
503.35043	5.4
509.34113	1.6
547.39441	4.5
565.40369	25.4
583.41388	100.0
584.41833	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02420	2.6
53.03936	5.8
55.05507	20.2
57.07063	11.7
59.04969	3.6
64.27063	2.8
65.03927	4.7
67.05504	34.6
69.03419	9.0
69.07066	26.5
69.30113	25.6
75.34718	2.6
77.20368	3.1
79.05492	37.6
81.07045	37.7
83.04964	9.4
83.08612	9.9
85.06533	10.4
87.41779	2.4
91.04901	4.1
91.05476	60.4
93.07038	62.7
94.93832	2.4
95.04980	14.0
95.08607	42.4
97.06522	4.7
97.10170	2.7
103.05453	6.4
105.07030	90.0
107.08584	54.8
109.06515	13.1
109.10158	23.5
111.07996	2.9
115.05458	10.2
116.06225	3.2
117.07003	22.7
119.08574	100.0
121.06499	4.9
121.10145	50.0
123.08080	16.5
123.11701	6.2
125.05952	2.8
125.09614	3.3
128.06223	13.6
129.07004	18.8
130.07780	4.8
131.08562	45.7
133.06448	4.6
133.10130	50.4
135.08017	11.0
135.11693	18.9
137.09602	10.8
139.11232	5.4
141.06967	12.7
142.07770	31.9
143.08554	56.3
144.09293	8.4
145.10112	63.9
145.11176	5.3
147.08014	17.4
147.11690	18.9
149.09615	9.2
149.13255	5.6
151.07501	13.6
153.06976	5.3
153.09024	3.2
155.08574	18.0
155.10725	4.0
156.09335	23.2
157.10129	64.4
158.10866	11.0
159.08092	4.9
159.11668	33.0
161.09627	7.7
161.13286	4.9
163.11176	8.7
165.07007	10.5
165.09087	32.1
166.07782	7.1
167.08565	10.6
167.10661	13.7
168.09329	14.7
169.10120	41.3
170.10904	12.0
171.11679	38.6
172.12418	3.0
173.09663	4.5
173.13248	32.3
175.11186	3.9
175.14824	12.2
179.08633	15.8
179.14256	2.8
180.09270	9.5
181.10117	21.1
181.12206	10.4
182.10948	13.9
183.11676	36.8
184.12488	9.9
185.13239	18.6
187.11058	3.4
187.14783	8.0
189.12698	6.7
191.08516	4.0
191.14326	13.7
192.09348	6.6
193.10110	23.5
194.10878	14.1
195.11693	28.5
196.12437	8.0
197.13271	30.2
199.11107	4.0
199.14821	26.5
201.16345	4.8
203.14320	12.2
205.10083	7.8
206.10907	12.5
207.11661	32.1
207.13748	8.4
208.12440	8.6
209.13261	34.4
209.15161	4.5
210.14026	7.9
211.11214	3.1
211.14804	14.0
213.16370	5.6
217.10194	4.1
217.15880	16.0
218.10966	3.9
219.11707	10.1
220.12430	8.2
221.13229	27.6
221.15355	59.1
222.14018	8.2
223.14830	20.9
224.15559	3.5
225.16374	7.9
227.14316	4.6
230.10797	4.5
231.11646	12.4
232.12476	6.9
233.13197	13.8
233.15373	7.6
234.14027	7.4
235.14810	11.6
236.15614	3.3
237.16283	7.2
239.14209	3.1
239.17923	5.6
244.12415	6.7
245.13277	10.7
246.13971	5.8
247.14795	10.5
248.15608	5.1
249.16261	14.6
250.17058	3.3
251.18080	7.1
253.19688	3.0
257.13254	5.2
257.18985	9.8
259.14850	9.9
260.15686	10.5
261.16412	10.8
263.17972	10.8
265.19452	9.6
267.17398	3.6
269.18942	5.9
273.16394	9.7
275.17969	18.2
277.19449	6.5
279.17505	3.2
283.15106	3.5
283.20584	23.3
287.20276	5.1
289.19467	7.1
291.21179	3.3
297.16223	3.9
301.19138	4.4
313.19519	3.7
315.21063	3.0
331.24225	8.6
333.21957	3.1
345.21771	3.5
349.25262	7.3
375.26865	6.8
403.29086	4.0
491.34955	9.9
503.35257	3.4
539.95245	3.1
565.40149	19.3
583.41412	84.2
584.41864	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.05510	16.2
55.07982	0.9
57.07076	11.6
59.04991	4.6
59.65223	0.9
65.03931	4.2
67.05501	21.0
69.03422	8.2
69.07064	21.6
69.26038	10.3
77.03931	2.2
79.05486	21.1
81.07051	33.7
83.04978	9.4
83.08613	7.4
85.06535	6.3
91.04900	2.2
91.05473	45.1
93.07037	55.0
95.04969	11.2
95.08601	39.9
97.06519	4.7
97.10130	1.5
103.05461	3.6
105.04532	1.9
105.07024	75.4
106.07844	1.5
107.04932	1.2
107.08584	50.4
109.06521	10.1
109.10153	22.0
111.08072	3.0
115.05444	7.5
116.06225	2.0
117.07009	17.2
119.08573	80.4
120.15450	1.0
121.06480	6.0
121.10138	47.7
123.08060	17.0
123.11675	5.9
125.05993	3.3
125.09634	2.1
128.06204	12.6
129.06995	17.5
130.07765	5.9
131.08560	31.5
133.06482	3.4
133.10121	41.5
135.08054	10.5
135.11667	16.3
137.09604	10.4
139.11195	1.1
141.06975	9.5
142.07773	25.0
142.08818	1.9
143.08553	41.3
144.09326	7.1
145.06503	2.0
145.10115	50.2
147.08051	18.0
147.11668	15.7
149.09602	8.0
149.13240	4.2
151.07552	16.0
151.11198	1.2
153.06970	5.5
154.07764	4.7
155.08546	19.3
156.09323	20.8
157.10123	57.9
158.10915	7.7
159.08038	5.3
159.11685	26.3
161.09639	7.6
161.13237	8.1
163.11160	8.9
163.14810	1.2
165.07057	8.0
165.09105	36.5
165.24701	1.0
166.07835	3.0
167.08553	11.5
167.10652	13.6
168.09343	9.4
169.10118	31.7
170.10893	11.1
171.11679	29.9
172.08908	1.2
172.12427	2.0
173.09630	3.8
173.13248	24.7
175.11230	4.9
175.14801	9.4
177.09186	1.2
178.07761	1.8
179.08534	16.4
180.09299	6.8
181.10115	16.9
181.12183	6.8
182.10883	9.0
183.11688	30.8
184.12474	6.0
185.09697	2.2
185.13240	18.6
185.14856	1.2
187.11235	2.4
187.14864	5.4
189.12721	7.7
189.16379	1.9
191.08551	2.7
191.10626	1.1
191.14314	10.5
192.09297	5.2
193.10100	16.5
194.10925	13.4
195.11699	26.0
196.12433	6.8
197.13237	23.5
198.14017	2.0
199.11192	2.1
199.14798	18.1
201.12743	3.2
201.16418	3.5
203.08632	1.9
203.14281	16.6
204.09329	1.9
205.10135	5.6
205.15904	1.8
206.10939	6.9
207.11710	19.4
207.13806	9.6
208.12462	8.1
209.10066	1.1
209.13255	29.7
209.15129	2.0
210.14034	4.3
211.11237	1.7
211.14803	12.7
211.16724	1.3
213.12766	3.1
213.16328	5.4
215.14355	4.1
217.10139	4.0
217.15894	11.9
218.10924	4.3
219.11674	8.1
219.13591	1.9
220.12479	5.4
221.13251	19.1
221.15402	69.1
222.13977	5.9
223.11400	1.2
223.14798	17.0
224.15602	1.9
225.12784	3.0
225.16425	7.7
227.14320	2.8
227.17834	1.4
229.10037	1.6
229.15898	1.8
230.11021	2.4
231.11736	6.3
231.17459	3.9
232.12529	4.6
233.13263	10.5
233.15427	5.2
234.14134	5.8
234.16194	1.3
235.14798	14.7
236.15466	1.9
237.12711	1.8
237.16335	10.5
239.14381	2.7
239.18013	5.5
243.11842	1.5
243.17422	1.8
244.12527	3.1
245.13197	8.7
246.13977	5.1
247.14848	11.4
247.16986	2.9
248.15588	2.9
249.16414	9.2
250.17215	2.9
251.14299	1.6
251.17973	6.7
253.15857	1.8
253.19556	2.9
255.17459	2.3
257.13351	3.0
257.19012	8.5
258.14093	3.0
259.14761	8.0
259.17178	1.3
260.15665	4.6
261.16373	11.2
262.17197	2.4
263.17984	6.5
265.16763	1.6
265.19504	9.7
267.17490	1.5
269.19034	4.7
270.14056	1.3
271.14859	2.8
271.20645	2.7
272.15491	2.5
273.16281	5.0
274.17224	2.5
275.17892	11.8
277.19470	5.4
279.17746	1.3
279.21060	2.1
281.19052	3.1
283.20517	17.9
285.16327	2.9
286.19449	2.2
287.17746	2.9
287.20261	3.0
288.18497	1.3
289.19470	5.0
291.21060	1.4
293.18991	2.1
295.20609	4.2
297.16473	1.2
297.21918	5.0
299.17609	1.5
299.20520	1.6
300.20959	2.9
301.19180	2.8
301.22025	2.0
303.21103	2.4
305.19073	1.2
305.22791	1.1
307.20538	3.0
309.22089	1.8
311.23727	1.2
312.21033	1.4
315.21085	2.3
317.22659	2.2
321.22202	1.7
327.21121	2.6
329.22729	1.3
331.24200	5.2
333.22211	3.4
335.23862	1.7
343.24042	1.3
347.23770	2.8
348.24100	1.4
349.25156	8.7
352.24161	1.7
357.15738	1.1
357.25809	2.4
359.23599	1.3
361.25162	2.4
365.24683	2.5
373.25192	1.8
375.26816	8.0
403.30078	6.2
413.28418	1.9
427.29892	1.4
443.30127	1.4
468.96225	1.2
491.35248	6.3
503.34879	6.4
509.34122	2.2
547.39191	3.8
565.40381	25.3
583.41400	100.0
584.41632	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.05517	10.8
57.07084	8.4
59.04989	3.4
63.65923	1.3
65.03923	3.8
67.05500	20.1
68.28101	1.4
69.03426	7.2
69.07069	15.2
69.25906	13.3
69.26308	3.0
69.29200	1.5
71.04994	1.8
74.27875	1.4
79.05493	20.7
81.07051	23.9
83.04977	6.1
83.08595	9.5
85.06538	5.2
91.05479	38.2
93.07043	45.9
95.04955	8.8
95.08614	29.5
97.06514	4.1
102.51739	1.5
103.05437	2.8
105.07027	60.6
107.08586	34.9
109.06523	6.6
109.10142	15.4
111.08086	2.6
115.05450	5.0
117.07003	13.4
119.08582	64.0
121.06474	3.6
121.10140	41.7
123.08095	13.0
123.11707	3.4
125.09618	3.2
128.06239	10.3
129.06995	14.2
130.07796	5.2
131.08565	27.0
133.06523	3.5
133.10126	29.9
135.08029	7.1
135.11664	11.3
137.09613	6.6
141.06999	5.2
142.07779	17.6
143.08556	28.3
143.09579	2.6
144.09335	8.5
145.10114	35.3
145.10951	1.4
147.08018	9.7
147.11688	9.4
149.09595	8.0
149.13223	2.6
151.07530	13.1
153.07014	4.3
153.09027	2.1
154.07809	2.9
155.08568	12.9
156.09341	15.5
157.10115	42.0
158.10925	5.7
159.08017	3.0
159.11685	21.9
160.08827	1.7
161.09648	6.0
161.13272	3.5
163.11205	6.3
165.07018	5.3
165.09097	18.5
166.07767	3.0
167.08583	8.8
167.10670	16.6
168.09320	5.7
169.10118	20.7
170.10905	8.4
171.08136	1.6
171.11719	26.9
172.12343	1.9
173.09641	3.8
173.13248	19.2
175.11192	3.0
175.14804	8.1
178.07808	1.8
179.08540	11.6
180.09366	4.4
181.10158	12.7
181.12231	6.2
182.10945	5.7
183.11679	22.6
184.12541	4.5
185.13281	12.7
187.14861	7.0
189.12775	5.2
191.14348	6.1
192.09344	4.2
193.10112	10.4
194.10889	9.4
195.11667	18.4
195.13280	2.5
196.12531	3.2
197.13257	21.3
197.60330	1.6
199.14844	10.5
201.16495	2.6
203.14349	6.6
205.10214	3.6
206.10881	6.9
207.11703	15.2
207.13803	8.3
208.12480	5.2
209.13249	20.7
210.14011	2.5
211.11122	2.4
211.14839	11.4
213.12875	3.1
213.16351	3.1
215.08714	1.7
215.14328	3.0
217.10120	2.9
217.15918	5.7
218.10960	3.0
219.11703	6.2
220.12485	4.0
221.13274	12.2
221.15393	39.0
221.17365	3.1
222.14098	3.9
223.14774	11.2
224.15681	2.5
225.16426	4.9
227.14304	2.3
231.11717	5.9
232.12627	3.2
233.13249	8.3
233.15410	7.0
234.14006	3.5
235.14816	9.5
237.16364	8.6
239.14369	1.7
239.17970	3.4
244.12558	2.0
245.13246	7.6
246.14034	3.6
247.14816	6.9
248.15463	1.9
249.16312	9.3
250.17039	2.2
251.17995	6.0
253.16216	1.6
253.19514	1.8
257.19058	4.4
259.14871	4.9
260.15594	2.3
261.16443	9.4
263.17993	8.7
264.18668	2.1
265.19583	5.2
269.18997	4.1
271.14798	3.1
273.16431	3.9
275.17719	8.6
277.19568	4.6
281.19073	3.7
282.25977	1.8
283.20578	9.5
286.19620	2.0
287.17627	2.7
289.19632	4.9
291.21021	2.1
295.20630	3.8
297.21964	3.5
300.20975	2.2
301.19312	1.8
303.20856	2.4
309.22479	1.6
327.21393	1.8
331.24191	3.0
347.23553	2.0
349.25253	5.1
351.22836	1.5
357.25717	3.0
358.58371	1.6
361.25357	4.0
364.23383	1.8
367.99649	1.8
375.26859	5.6
403.30020	5.2
427.30023	1.9
491.34909	4.3
503.34979	2.9
509.33972	2.8
547.39252	5.7
565.40527	23.0
583.41406	100.0
611.96014	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	582.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	4.4
60.04545	2.8
60.15790	2.1
61.01158	2.2
67.05486	2.3
69.03434	7.3
69.07069	3.6
70.06589	38.8
71.57751	2.9
71.58132	3.4
72.08146	16.5
74.06038	2.5
81.03410	2.7
81.07026	2.8
84.04501	8.9
84.08149	18.5
85.02892	4.5
86.09700	26.4
89.03943	2.9
90.81652	2.9
91.05496	6.8
93.07055	3.6
95.04973	3.1
101.07130	2.3
105.07038	3.1
110.07160	9.0
115.05417	3.4
115.08675	2.9
117.03383	8.3
120.08079	20.8
127.03920	5.1
129.10255	8.3
130.04884	2.6
131.04929	3.1
132.05241	3.8
133.02863	4.2
136.07550	6.4
137.05968	8.5
139.47366	2.3
145.02835	36.9
149.05916	5.0
152.07068	2.8
164.44504	2.8
167.07062	11.1
168.10207	5.3
177.05469	100.0
181.04933	5.4
184.07346	5.4
186.05551	2.7
201.05389	4.1
229.15486	3.6
233.08038	3.7
281.53598	2.4
321.09744	5.7
333.06122	3.2
334.06549	2.9
339.10770	36.0
341.79849	2.9
405.80057	2.6
446.30569	2.8
565.19659	3.5
582.30090	6.0
582.81091	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	582.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52047	0.4
55.05500	0.6
61.02933	0.5
67.05487	0.6
69.03427	8.9
69.07051	0.4
69.74567	0.9
69.74982	1.7
70.06597	2.7
70.56184	0.3
71.04957	0.6
72.08138	0.6
73.10254	0.4
79.05477	1.8
81.03394	0.6
81.07043	0.9
83.04976	0.4
83.08579	0.5
83.57036	0.4
84.04482	0.5
84.08131	1.3
85.02899	0.8
85.06525	1.5
86.09702	2.3
89.03915	3.6
91.05466	2.1
93.07012	1.1
95.04946	1.1
95.08601	0.4
97.02870	0.9
103.05459	0.7
105.07018	0.8
107.04948	2.3
109.02844	0.9
109.10139	0.7
110.07133	0.7
115.05455	0.9
117.03373	12.4
119.04923	1.0
120.08087	1.6
121.06499	0.8
124.05177	0.9
125.05930	0.5
127.03934	2.6
129.06996	0.4
129.10245	0.6
131.04912	0.9
131.08551	1.4
134.03661	0.9
135.04372	1.7
136.07565	0.7
137.05957	3.1
138.09140	0.6
145.02837	46.3
146.03162	0.8
147.04385	1.0
149.05984	4.8
149.09619	0.8
151.07539	2.8
152.04640	0.4
160.05174	0.8
163.03838	0.8
167.07024	6.0
168.10257	0.9
173.05887	0.4
175.07613	0.5
177.05458	100.0
178.05780	1.2
179.06973	0.5
181.04929	0.6
184.07312	0.5
186.05492	1.8
187.07495	0.4
188.04568	0.5
191.07037	1.3
191.10664	0.9
192.04225	0.5
195.06544	0.9
198.03117	0.5
201.05457	1.1
207.06343	0.4
209.11678	1.3
215.06905	0.6
217.08487	0.5
227.12747	1.6
231.06500	10.0
234.64149	0.4
249.10205	0.7
261.07611	1.2
265.09552	0.6
291.08264	0.5
321.09662	5.8
339.10712	21.9
340.11185	0.5
387.14499	0.6
397.13095	0.8
398.15994	0.7
415.13879	1.1
441.40970	0.4
550.21765	2.1
582.24152	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	582.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05516	0.4
57.03413	0.4
61.02933	0.4
63.02384	0.4
65.03959	0.3
67.05496	1.2
69.03425	7.1
69.07067	0.4
70.06591	3.4
71.05025	0.4
71.55267	0.7
72.08155	1.0
79.05499	1.6
81.03420	0.8
81.07047	0.8
81.46513	0.3
84.04498	0.9
84.08138	0.9
85.02903	1.1
85.06541	1.3
86.09699	2.5
89.03891	3.1
91.05478	2.1
93.07064	0.9
95.04979	1.1
97.02889	0.8
103.05486	0.6
105.07032	0.8
107.04957	1.6
107.08577	0.3
109.02904	0.5
110.07172	0.4
111.04434	0.5
115.05466	0.6
117.03376	12.2
119.04955	0.5
119.08583	0.5
120.08112	1.4
121.06487	0.9
121.10114	0.7
123.04414	0.5
123.58186	0.4
124.05241	0.6
125.06052	0.5
127.03899	2.5
129.10254	0.7
131.04967	1.0
131.08553	1.3
132.05765	0.5
134.03708	0.8
135.04390	1.1
136.07613	0.5
137.05981	2.7
138.05484	0.5
138.09128	0.5
143.04932	0.4
144.05722	0.4
145.02835	48.0
145.10097	0.7
146.03236	0.7
147.04372	0.4
149.05975	4.7
149.09612	0.7
151.03886	0.6
151.07510	2.0
152.07076	0.5
154.02710	0.4
160.05162	0.7
163.03900	0.8
163.07550	0.4
163.11179	0.5
164.07097	0.5
165.09132	0.4
166.08638	0.7
167.07039	4.6
167.10692	0.5
168.10220	0.8
177.05455	100.0
178.05814	1.3
181.04953	0.9
184.07341	0.8
186.05463	1.4
188.04662	0.5
191.07008	1.3
191.10619	0.9
195.06558	1.1
198.03113	0.5
201.05412	0.8
207.06503	0.7
209.11676	1.2
215.06998	0.5
216.04153	0.8
217.08664	0.5
227.12767	1.4
231.06502	8.3
233.53038	0.4
245.08141	0.4
249.10249	0.6
261.07510	0.9
321.09641	4.6
323.10214	0.4
329.10522	0.4
339.10696	20.8
340.11115	0.5
371.15857	0.4
387.14294	0.7
397.12949	0.6
398.16019	0.8
415.13797	0.6
488.14087	0.4
550.21869	3.5
582.23901	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	579.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
53.79752	0.7
55.01859	1.5
57.03424	1.2
61.02908	0.7
68.99780	1.0
69.03429	5.9
70.03534	2.2
70.06567	2.6
71.05008	0.6
71.36353	0.7
72.08145	1.3
73.02901	1.5
79.05488	7.9
81.03408	6.7
81.07030	1.1
84.08133	1.4
85.02898	7.9
86.09689	2.6
87.00829	4.3
91.05479	3.7
93.07049	1.2
95.04953	3.1
97.02885	3.7
99.04434	1.5
103.05424	1.6
105.01859	1.8
105.07028	2.5
107.04953	76.4
109.02892	4.4
115.05421	1.3
117.01843	1.3
117.07017	0.8
119.04932	2.5
120.08066	1.1
121.02840	0.8
121.06528	5.4
123.04438	1.4
127.03917	5.5
128.00323	0.6
129.10211	0.8
131.04924	17.8
133.06480	3.4
135.04413	14.6
137.05956	3.0
139.07532	1.9
145.04947	2.2
145.06462	1.2
147.04384	1.6
149.06003	1.2
151.03928	0.9
151.07544	10.3
153.05437	0.9
155.07016	1.6
159.02884	3.1
161.06000	1.5
163.03877	1.9
163.07434	0.8
164.04697	3.6
165.05452	2.2
167.07039	5.7
168.05682	0.6
176.04607	1.5
177.05452	1.7
178.06142	0.9
179.07031	40.5
181.04961	9.5
189.05493	0.9
191.07022	8.0
192.04156	7.1
193.04919	1.8
195.06458	3.4
195.08028	0.7
207.06516	34.9
208.03456	0.9
209.04414	1.3
209.08105	2.0
210.05182	3.2
219.06522	8.0
222.05264	2.1
223.06024	2.3
224.06653	1.1
225.07634	4.4
231.04898	0.8
234.36496	0.7
237.07556	6.1
252.07831	8.5
267.10178	6.7
280.07288	3.2
285.11151	6.4
295.09637	26.3
296.10052	0.8
298.08392	5.2
313.10684	87.1
314.10977	1.6
323.85785	0.6
326.27094	0.7
330.03094	0.7
331.11743	100.0
332.12225	1.1
355.11517	0.9
483.53445	0.8
547.19427	2.5
579.22601	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	579.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01860	2.5
55.05507	10.6
57.03424	4.6
57.07056	4.1
58.44069	1.2
61.23218	1.0
62.46184	1.0
63.45754	0.9
64.59372	0.9
65.03933	2.0
67.05501	58.3
67.71365	1.1
69.03417	2.8
69.07063	11.0
69.38922	3.7
69.39346	5.7
71.04971	3.0
73.02892	3.4
75.04494	1.3
79.05489	29.0
81.03415	3.0
81.07052	72.3
83.08618	5.8
85.02879	3.1
85.06548	2.3
85.33113	1.1
91.05467	15.9
93.07039	41.1
94.07362	1.2
95.04945	2.1
95.08604	54.5
96.43033	1.0
97.02875	2.2
97.06515	2.3
97.10113	3.0
98.98445	2.7
99.04441	3.8
99.08064	1.8
105.07026	13.9
107.07889	1.7
107.08595	30.6
109.02876	6.7
109.06503	1.6
109.10154	32.5
110.03664	3.7
111.04430	4.0
111.08060	1.4
111.11676	1.4
117.07026	7.8
119.08588	15.4
121.10139	24.9
123.08057	1.7
123.11681	14.6
127.03902	4.4
129.06960	1.0
131.08548	17.7
133.10118	14.7
135.10712	2.0
135.11687	23.8
137.09700	1.2
137.13258	8.8
139.11201	1.2
143.08571	1.6
145.10110	14.8
147.11694	10.5
149.13239	15.5
151.11176	1.0
151.14796	2.0
157.10023	1.2
159.11684	13.0
161.13254	9.2
163.11084	1.1
163.14807	12.0
165.12727	2.5
171.11835	1.1
173.13249	15.1
175.14825	4.2
177.16379	6.5
179.14397	1.9
187.14801	9.5
191.00050	2.3
191.14229	1.8
201.16350	2.1
233.22543	3.0
243.21065	26.1
261.22119	100.0
262.22488	1.4
263.23645	2.8
279.23166	6.1
303.23187	2.2
317.24490	1.4
335.25781	16.1
337.27319	2.4
353.26840	71.3
354.26904	1.1
369.24176	3.1
377.26865	2.4
433.20496	1.2
443.27817	1.7
451.21512	2.6
469.22150	1.4
481.08182	1.1
561.27307	6.1
574.39417	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	579.1707
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
56.05025	0.1
57.03430	0.1
58.74671	0.1
66.12390	0.1
67.01862	0.4
68.99793	0.3
69.39211	0.5
70.06576	0.5
71.04982	0.4
72.08134	0.2
79.05469	0.1
81.03377	0.1
83.04985	0.1
84.04493	0.2
84.08142	0.8
85.02906	1.0
86.09226	0.1
86.09707	1.6
87.10025	0.1
89.34168	0.1
91.05473	0.5
105.07032	0.1
107.04961	0.1
110.07164	0.6
111.00771	0.1
117.03333	0.1
119.04935	1.8
119.27795	0.1
120.08091	0.2
121.02854	0.5
127.03938	0.1
129.01822	0.2
129.05461	0.2
129.10257	0.5
130.10654	0.1
136.07567	0.2
137.05966	0.2
143.11771	0.1
145.02821	0.8
145.06473	0.1
146.03220	0.1
147.04387	0.1
153.01817	4.0
163.03911	0.4
167.07021	1.1
169.69751	0.1
171.02840	0.5
173.05928	0.2
177.05484	0.6
178.05798	0.3
181.04918	0.2
187.03941	0.2
197.06108	0.1
207.06421	0.1
211.03813	0.1
225.05447	0.3
227.13896	0.1
229.04962	0.2
243.06520	0.3
247.06007	0.1
251.15054	0.1
257.21182	0.1
271.05997	100.0
272.06390	1.1
313.07248	0.1
331.13895	0.1
387.14560	0.1
417.15524	0.2
433.11255	0.3
517.91052	0.1
561.20209	0.1
579.19928	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	579.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53024	0.4
53.03927	1.6
55.01875	2.8
57.03421	1.1
61.02911	0.8
67.05506	3.5
68.99790	0.7
69.03430	5.8
69.70133	2.0
69.70557	0.8
70.06575	1.4
71.04960	0.6
72.08151	1.0
73.02898	0.7
79.05492	0.6
81.03419	5.8
81.07036	1.4
82.27653	0.4
82.39276	0.4
84.08146	0.6
85.02903	7.3
85.07496	0.4
86.09698	1.6
87.00846	2.8
91.05476	1.2
95.04976	3.0
97.02905	2.8
99.04445	1.8
103.03891	0.4
105.01830	1.1
105.07047	0.7
107.04966	3.2
109.02882	3.0
109.06488	0.8
119.04948	0.6
120.08092	0.5
121.06518	1.3
123.04431	31.6
123.53558	0.4
124.04936	0.5
126.55968	0.4
127.03916	4.4
129.01807	0.5
131.04930	0.4
135.04344	0.8
137.05978	1.1
145.02853	0.6
145.04933	0.7
147.04428	2.2
149.05957	1.8
151.07545	1.2
155.07042	3.9
159.02885	1.6
159.04303	0.5
161.05957	0.9
163.03966	0.6
163.07356	0.4
165.05505	1.1
165.09163	0.9
166.02592	1.5
167.07074	2.1
175.07489	0.5
177.05479	3.3
179.07007	1.0
181.04951	6.7
181.08609	2.4
181.58667	0.4
184.03668	1.5
189.05534	0.5
191.07045	2.6
192.04109	0.7
193.08659	0.6
194.05716	4.7
206.05746	3.3
207.06534	4.2
209.08089	34.6
210.08403	0.6
221.08087	23.7
243.88327	0.4
253.08650	0.7
255.06502	0.5
281.08069	0.6
298.08521	0.6
313.10693	61.9
314.11221	1.9
331.11749	100.0
332.12103	2.6
355.11685	1.4
517.17053	0.6
561.16052	2.0
579.16455	0.9
588.16241	0.4
590.93311	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	579.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03948	0.7
55.01872	1.0
55.75447	0.6
60.04518	0.5
63.14265	0.5
67.05495	1.0
68.99792	3.6
69.03423	0.9
70.06592	5.0
71.57165	0.8
72.08137	0.9
79.05497	0.7
81.03408	2.6
84.04482	0.6
84.08133	2.1
85.02917	1.2
86.09687	1.7
89.03912	1.4
95.04970	1.5
99.04454	0.8
102.05605	0.6
103.05471	1.1
107.04939	2.9
109.02883	2.2
111.00806	1.8
111.04442	2.4
117.03382	0.9
119.04940	1.0
120.08096	0.8
121.02846	1.4
123.04424	36.2
127.03911	100.0
128.04303	0.6
128.27292	0.6
129.10229	1.7
131.04916	1.9
135.04408	28.0
137.02347	2.6
137.06004	0.8
139.03896	42.5
141.06891	1.0
145.06487	0.6
145.22627	0.5
147.04427	5.4
149.02342	4.5
149.05977	2.2
151.03900	8.7
152.07106	0.6
153.05511	0.6
153.06929	0.8
159.04369	3.2
161.05969	3.3
163.03897	35.7
164.07014	0.6
165.05476	5.4
167.03401	7.1
169.06502	1.6
170.57593	0.6
173.05956	3.5
175.03885	3.5
177.05412	4.1
177.95096	0.5
179.03391	3.5
181.04973	0.6
183.04312	0.8
185.05966	1.2
187.03854	6.4
187.07495	0.7
189.05466	2.5
191.03412	9.3
193.05026	3.0
197.05980	2.8
201.05472	6.4
203.03371	7.7
203.05043	1.0
203.07057	1.6
205.04968	2.4
207.06560	1.2
211.04054	0.6
213.05434	1.7
215.03444	1.3
215.07002	2.6
225.05551	1.1
229.04974	6.1
230.05493	0.6
231.06499	1.0
233.04449	5.2
241.04973	1.4
243.06447	4.8
245.04466	5.4
247.06006	15.3
251.05461	1.0
253.04982	1.1
255.06598	1.1
257.04462	8.2
258.05176	0.9
259.06021	8.6
269.04462	2.6
271.03146	0.8
271.06021	17.2
273.07532	1.5
275.05447	14.9
283.06003	5.3
287.05502	18.8
289.07053	12.9
291.08640	9.4
299.05579	2.8
301.07022	9.5
303.08664	1.4
409.09152	19.0
411.10825	2.0
421.09335	0.9
427.10196	4.4
435.10736	0.9
439.10434	0.8
579.32373	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	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01862	1.4
57.03421	0.6
60.16909	0.5
61.02909	0.6
67.79028	0.5
68.99799	0.6
69.03419	2.2
70.05715	2.4
70.06579	0.6
73.02911	0.6
79.05492	4.5
81.03416	3.3
81.07032	0.8
85.02895	5.0
86.09676	0.7
87.00826	2.3
93.07012	0.5
95.04974	1.2
97.02877	1.8
99.04437	0.8
105.01850	1.1
105.04552	0.5
105.07027	1.0
107.04949	55.0
109.02901	2.9
111.04420	0.6
117.01868	0.6
127.03882	2.7
131.04904	1.0
133.06502	0.5
145.04962	1.5
159.02867	1.4
161.06015	0.7
164.04718	0.7
171.06485	1.3
176.04712	1.6
182.05705	0.6
190.02634	1.3
192.04138	1.8
193.04959	1.0
197.04440	2.3
197.08110	0.7
200.03221	0.7
204.04243	1.8
209.04398	1.6
210.05215	13.7
222.05225	10.9
223.05948	3.6
225.07567	30.2
237.07558	29.9
239.07013	2.0
252.07751	2.2
298.08307	2.1
313.10657	16.2
331.11734	100.0
332.12076	1.1
342.97607	0.5
367.18430	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	579.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40459	0.3
53.03939	1.6
55.01870	1.8
57.03426	0.5
60.24216	0.4
61.02913	0.4
68.99792	0.6
69.03420	2.2
69.51855	1.0
69.52268	2.0
70.06573	0.5
71.04981	0.5
73.02927	0.5
76.10439	0.3
79.05489	4.8
81.03417	3.1
81.07050	0.8
85.02908	4.8
86.09716	0.7
87.00829	2.0
91.05475	0.6
95.04947	2.1
96.67651	0.4
97.02883	1.7
98.20763	0.7
99.04469	0.6
105.01851	1.0
105.04488	0.5
105.07041	0.7
107.04953	52.1
109.02883	2.0
111.04441	0.7
115.05408	0.4
115.56229	0.3
116.29607	0.3
117.01855	0.7
119.04940	0.4
119.08645	0.3
120.08142	0.4
127.03909	3.1
127.13251	0.3
129.01865	0.5
131.04926	0.7
133.06589	0.8
137.05966	0.7
145.04965	1.1
145.06444	0.4
147.04402	0.4
159.02895	1.6
160.19632	0.3
161.05988	1.2
164.04663	1.1
165.05507	0.7
167.07123	0.6
171.06509	1.3
176.04695	2.4
178.66446	0.4
182.02092	0.7
182.05768	0.7
190.02666	1.0
192.04208	1.7
193.04903	0.9
197.04449	3.0
197.08139	0.8
200.03181	0.9
204.04207	1.8
207.06468	0.5
208.03682	1.1
209.04427	2.0
210.05241	12.8
222.05229	11.4
222.07422	0.6
223.05991	4.4
224.06630	0.7
225.07564	31.5
237.07567	28.9
239.07109	1.7
252.07787	2.1
269.08194	0.4
280.07166	0.4
281.08209	0.4
283.06104	0.6
290.31769	0.4
297.07739	0.4
298.08276	2.1
313.10699	14.5
331.11746	100.0
332.12170	0.9
499.08206	0.4
579.96545	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	579.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59439	0.3
53.03913	1.4
55.01871	2.4
57.03408	1.0
60.04494	0.5
61.02891	1.3
62.77847	0.3
63.82443	0.3
65.03922	0.6
67.05502	4.0
67.62405	0.3
68.99757	0.9
69.03431	6.1
69.03782	0.3
69.07050	0.4
70.05956	1.4
70.06586	4.1
71.04954	0.9
72.08108	0.9
73.02885	0.7
78.04688	0.3
79.05447	1.0
81.03416	5.1
81.07015	1.0
84.04465	0.9
84.08151	1.5
85.02901	6.7
86.09701	2.4
87.00822	2.9
91.03899	0.4
91.05445	1.3
93.06997	0.3
95.04984	2.7
97.02885	2.4
98.21463	0.4
99.04455	2.0
103.03877	0.3
103.05422	0.9
105.01830	1.2
105.07009	0.9
107.04948	2.0
107.08543	0.4
108.08009	0.3
109.02870	3.7
110.07113	0.5
115.03894	0.5
115.05428	0.4
117.03304	0.3
117.06990	0.4
119.04919	0.4
119.08512	0.3
120.08050	1.1
121.06462	1.9
123.04424	30.6
125.05965	0.3
125.33067	0.3
127.03110	0.4
127.03916	4.8
129.01799	0.5
129.10216	0.7
130.05000	0.7
131.04906	0.8
133.06441	0.6
135.04384	1.2
135.07994	0.3
136.07568	0.9
137.05939	1.1
145.04941	0.9
145.06468	0.9
147.04405	2.0
149.05962	1.7
151.07527	1.3
151.61327	0.3
152.07051	0.4
153.05424	0.3
153.09041	0.4
155.07050	3.5
159.02885	0.6
159.04289	0.3
161.05963	1.0
163.03841	0.8
163.07480	0.5
165.05475	1.5
165.09077	0.6
166.02574	0.6
167.07028	6.4
173.05951	1.1
177.05482	2.8
178.06163	0.7
179.07043	1.6
179.53464	0.3
181.04948	6.6
181.08546	2.5
184.03613	1.4
189.05402	0.7
191.07002	2.8
192.04088	0.9
194.05748	5.1
205.08577	0.5
206.05746	3.3
207.06488	5.0
209.08083	35.7
221.08076	23.4
222.08533	0.5
252.68413	0.3
253.08478	0.4
270.08786	0.4
271.06021	0.4
281.08057	0.7
285.11224	0.6
297.07611	0.5
298.08304	0.9
313.10678	57.7
314.11093	0.8
331.11737	100.0
332.11945	1.8
355.11826	1.1
373.12881	0.6
387.14517	0.8
406.56882	0.3
417.15335	0.7
491.35327	0.4
517.17102	0.8
547.19690	0.5
561.15918	2.1
579.21210	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	579.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.2
53.03940	1.4
55.01870	2.4
55.05484	0.2
57.03429	1.0
61.02909	0.6
66.35172	0.2
67.05505	1.6
68.99790	1.0
69.00102	0.2
69.03428	7.6
69.03812	0.4
69.07069	0.3
69.32758	1.6
69.57446	0.2
70.06581	0.7
71.01351	0.2
71.04979	0.8
72.08134	0.3
73.02918	1.5
75.06523	0.2
77.03931	0.2
81.03414	7.3
81.07044	0.4
83.01309	0.2
84.04485	0.2
84.08148	0.3
85.02900	8.0
86.09684	0.6
87.00825	3.9
87.04464	0.3
91.03931	0.4
91.05469	0.7
93.06998	0.2
95.04967	3.4
95.08608	0.3
97.02296	0.3
97.02882	3.9
98.21539	0.4
99.00835	0.2
99.04459	2.6
103.05450	0.8
105.01857	1.9
105.03380	0.3
105.07031	0.3
107.04974	1.3
109.02875	5.3
109.06509	0.2
115.03925	0.3
115.05432	0.2
117.01838	0.6
117.07069	0.2
117.77281	0.2
119.04906	0.2
120.08103	0.2
121.06483	0.7
123.04420	39.3
125.05981	0.2
125.82558	0.2
127.03909	6.6
128.04242	0.2
129.01826	0.5
129.10225	0.2
131.04918	1.3
133.06453	0.3
135.04404	0.7
135.08104	0.2
137.05974	0.5
145.04955	1.6
147.02913	0.3
147.04411	1.1
148.05153	0.2
149.05974	1.4
151.03821	0.2
151.07535	0.8
153.05447	0.4
155.07018	3.1
157.12637	0.2
159.02879	2.2
159.04411	0.5
161.05946	0.9
163.03917	0.4
163.07549	0.3
165.05457	0.7
165.09019	0.3
166.02600	0.4
167.07028	1.4
175.07585	0.2
177.05486	2.1
178.06187	0.3
179.07039	0.5
181.04950	4.2
181.08534	1.8
182.15327	0.2
184.03737	0.4
189.05495	0.3
191.07021	1.9
192.04179	1.0
193.08623	0.4
194.05690	2.0
204.07851	0.2
206.05766	1.6
207.06499	5.5
207.08392	0.4
208.07262	0.4
209.08081	20.9
213.03969	0.3
221.08072	14.6
231.04956	0.6
243.44060	0.2
270.08890	0.2
281.08047	0.7
283.05899	0.3
285.10916	0.2
297.07419	0.4
298.08212	0.7
306.13327	0.2
313.10672	51.5
314.11154	1.0
325.82025	0.2
329.11191	0.2
331.11731	100.0
332.12192	1.5
355.11609	0.4
373.12906	0.5
416.51526	0.2
421.12613	0.2
561.16461	0.9
579.15912	0.9
586.86462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.7
55.01867	8.1
55.05507	45.5
57.03433	9.6
57.07076	4.7
59.05000	5.3
62.15261	4.4
65.03927	6.7
67.05500	94.7
69.07059	26.2
70.67771	13.0
71.04982	17.4
79.05491	62.6
81.03415	28.1
81.07051	100.0
83.04970	7.0
83.08618	20.7
85.06546	9.2
89.05145	4.5
91.05466	55.7
93.07036	81.4
95.04964	23.2
95.08608	71.7
97.06528	14.6
97.10165	18.3
105.07030	54.9
107.08585	39.5
109.06492	8.3
109.10137	38.1
111.08073	8.3
117.07042	25.2
119.08582	41.8
121.10136	34.5
123.08067	5.3
123.11699	14.5
125.09620	14.1
126.96680	4.1
129.06978	10.0
130.43784	4.1
131.08569	37.5
133.10117	37.2
135.08055	9.4
135.11725	11.1
137.09576	4.0
139.11162	6.1
143.08607	14.4
145.10118	30.7
147.11699	25.1
149.02409	6.0
149.09641	6.9
149.13264	9.7
155.08588	8.3
157.10139	18.0
159.11693	18.7
161.13257	12.7
162.89078	4.0
163.11200	7.1
169.10156	6.8
171.11678	14.2
173.13284	12.4
175.11151	6.2
175.14859	7.2
177.12769	4.7
183.11729	6.9
185.13257	8.5
189.11188	11.2
191.14278	5.2
193.12262	10.9
197.13283	8.9
199.13141	4.4
211.14877	6.4
225.16382	4.4
227.12781	15.7
239.16415	5.6
243.21190	6.6
259.20654	5.7
261.22195	11.0
267.15973	27.7
285.22269	6.7
287.23492	5.3
289.21603	6.0
299.24026	6.1
301.25250	12.8
303.23172	4.8
335.25809	25.7
363.24994	11.5
417.31790	8.7
435.32693	17.6
448.36426	4.9
453.34006	21.3
460.95825	4.2
471.34561	7.5
509.36090	8.5
527.37268	69.1
528.37341	5.1
545.38287	64.6
559.39990	11.3
577.13263	4.8
577.38477	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	579.1344
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03946	1.6
55.01868	1.1
55.05520	0.2
57.03436	1.0
57.49380	0.2
61.02909	0.7
64.50372	0.1
65.03912	0.3
67.05515	0.3
68.99768	0.7
69.03426	5.9
70.06594	1.0
70.98093	0.5
71.01315	0.1
71.04996	0.9
72.08135	0.2
73.02917	1.3
79.05482	0.2
81.03416	6.5
81.07054	0.3
84.04489	0.2
84.08121	0.5
85.02901	9.1
86.09686	0.7
87.00826	4.3
87.04442	0.2
91.03941	0.3
91.05407	0.3
92.02620	0.5
93.03392	0.7
93.07064	0.3
95.04930	0.3
95.08552	0.2
97.02888	3.2
99.04451	2.4
105.01859	2.2
105.07030	0.2
109.02877	5.5
109.10173	0.2
110.07188	0.2
117.01840	0.7
120.08110	0.4
121.02909	0.8
121.10100	0.3
123.04434	0.5
125.02361	0.2
127.03911	6.9
129.01837	0.7
129.10220	0.3
131.04892	0.2
133.10066	0.2
137.05959	0.5
140.04715	0.8
145.04950	1.9
147.02858	0.6
147.04395	0.3
151.03828	0.8
153.05489	0.6
159.02884	3.5
167.03389	8.7
167.07062	0.4
177.05428	0.4
179.03429	0.5
180.04245	0.2
181.04909	0.2
183.04433	0.3
193.05078	0.2
197.04564	0.2
200.04675	0.3
213.03920	0.2
214.06334	0.2
214.17970	0.2
215.07027	0.5
217.04944	0.5
231.04843	0.6
231.06946	0.8
232.07228	0.7
233.04375	0.2
242.05748	1.5
243.06531	2.6
245.04468	0.5
256.03580	0.3
259.06018	1.5
260.06818	1.5
270.05225	0.3
271.06006	2.0
273.03925	0.5
274.04944	0.3
275.09061	0.3
287.05453	2.0
288.06244	3.9
298.04773	0.4
299.05496	2.7
304.13794	0.5
315.04779	0.2
316.05759	12.5
331.08099	100.0
332.08423	2.5
531.48041	0.2
579.31909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01860	7.8
55.05508	41.6
57.03423	15.2
57.07075	7.0
59.23378	4.1
67.05499	89.8
69.03410	10.4
69.07066	31.4
70.60544	9.2
70.60909	9.7
71.04983	8.6
73.63766	4.9
74.78912	4.8
79.05493	41.4
79.82074	4.3
81.03395	5.6
81.06599	6.3
81.07050	100.0
83.04974	6.4
83.08604	29.6
86.88752	4.4
91.05460	47.0
93.07039	59.6
95.04969	8.0
95.08609	71.1
97.02922	4.3
97.06523	8.0
97.10174	23.8
99.00835	7.7
105.07022	49.4
107.04917	7.6
107.08588	45.1
109.02882	10.9
109.10135	40.7
111.08051	7.9
117.07004	17.4
119.08575	34.8
121.06472	8.6
121.10155	25.2
123.11699	18.0
125.09600	13.0
125.27850	4.3
129.07002	9.1
131.08563	19.3
133.10127	46.9
135.08113	6.3
135.11670	23.1
143.08548	9.3
145.10118	20.5
147.11636	14.7
149.13240	12.5
151.11133	17.9
155.08562	7.0
159.11694	13.9
161.09659	17.7
161.13246	9.4
162.37236	4.4
163.14825	8.2
173.13268	13.4
178.82570	4.5
179.10767	8.7
179.18867	4.9
185.13225	9.8
189.09348	5.1
189.11214	16.2
196.23314	4.2
225.11186	11.1
227.12766	20.3
243.12190	8.7
243.20985	9.9
253.14291	4.7
259.20560	7.4
261.22177	26.2
277.21634	6.5
279.23233	10.1
281.13824	6.2
299.14896	32.2
301.16489	6.4
307.33261	5.4
315.23181	11.6
317.24695	4.4
333.24225	7.6
335.25778	17.4
350.73801	4.8
352.15350	5.5
439.31909	11.5
449.30154	11.4
457.33017	6.4
467.31421	18.9
485.32498	16.3
513.35925	14.7
519.26038	5.1
519.36652	5.9
531.36664	16.1
541.35333	33.2
559.36011	45.5
577.37317	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Procyanidin B8
Peak:m/z	Relative Intensity
53.03941	1.0
55.01859	1.7
55.05499	0.7
56.05030	1.1
60.04509	0.9
62.22535	0.5
65.03928	0.7
66.22140	0.5
67.01865	0.7
67.05502	0.7
68.99783	4.5
69.03433	0.9
69.89311	0.8
69.89715	2.7
70.06593	8.4
72.08154	4.0
74.71833	0.5
77.03948	0.5
78.56895	0.5
81.03419	3.0
84.04504	2.8
84.08142	4.6
85.02907	1.2
86.09713	4.9
87.05573	0.6
87.81570	0.5
89.03916	1.2
91.05470	1.5
93.03379	0.6
95.04971	2.2
98.21452	0.5
99.04458	1.1
100.25060	0.6
101.07160	0.6
102.05549	1.1
105.03394	0.7
107.04967	3.5
109.02863	2.9
110.07168	1.5
111.00806	2.1
111.04449	2.6
115.05473	1.0
116.07036	0.5
117.03388	1.4
119.04948	2.5
120.08092	2.3
121.02864	2.2
123.04430	43.9
124.98080	0.6
127.03915	100.0
128.04251	0.9
129.10211	2.9
131.04939	2.7
131.08464	0.5
133.06459	0.5
135.04413	29.6
136.04750	0.7
136.07573	2.0
137.02348	2.1
137.05971	1.3
139.03896	45.8
140.04298	0.7
141.06995	1.1
143.04893	1.3
145.02837	1.1
147.04382	7.5
149.02348	3.1
149.05977	1.6
151.03906	7.5
152.07080	1.1
155.04840	0.6
157.06494	1.0
159.04410	2.2
161.05975	3.0
163.03905	32.8
164.04254	0.6
165.05508	5.0
167.03415	8.1
169.06461	2.2
171.04375	0.7
173.05980	3.9
175.03976	3.4
177.05479	5.3
179.03360	3.2
181.04924	1.1
181.06403	0.7
183.04370	0.9
185.05988	1.8
187.03864	6.2
187.07535	0.7
189.05492	2.3
191.03391	11.7
193.04948	4.3
197.06007	3.1
201.05486	5.6
203.03404	6.2
203.07051	1.5
203.10287	0.6
205.05000	2.7
207.06537	1.7
213.05620	0.7
215.03401	1.1
215.07082	2.3
216.38417	0.5
217.04996	1.5
225.05513	1.0
227.06860	1.0
229.04953	6.5
231.06525	1.9
233.04445	4.8
241.04977	1.2
243.06532	3.8
245.04456	6.3
247.06035	15.2
249.07423	0.7
251.05566	1.7
253.05034	1.5
255.06548	1.5
257.04428	8.6
258.05099	1.1
259.06036	9.2
269.04437	2.6
271.06030	17.3
273.07608	1.6
275.05490	14.3
283.05942	5.7
287.05508	21.6
289.07074	10.2
291.08633	11.9
299.05533	3.2
301.07086	12.6
302.07507	0.8
303.08609	1.9
340.31799	0.5
379.08105	0.5
391.08420	0.9
409.09183	23.6
410.09525	0.7
411.10785	2.0
421.09021	1.0
427.10263	6.2
435.10300	0.6
439.10385	0.7
579.32416	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	576.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01867	1.2
55.05496	3.0
57.03420	1.5
61.02909	2.4
62.06116	0.7
65.39870	0.6
67.05515	4.5
69.03429	7.3
69.07062	3.1
70.06583	2.4
71.04971	1.4
71.08630	8.3
71.31274	0.9
72.08170	4.2
73.02923	1.6
81.03413	3.2
81.07066	5.3
83.04950	1.0
83.08643	1.0
84.04504	1.3
84.08127	2.0
85.02898	8.2
86.06063	21.2
86.09702	2.6
87.04468	1.2
87.99825	0.7
90.31588	0.6
91.05470	7.5
93.07030	5.2
95.04948	0.8
95.08600	10.8
96.08118	3.8
97.02898	6.0
97.10151	0.7
98.06059	1.4
98.09686	7.9
99.04446	2.7
99.08093	13.3
105.07002	2.6
107.08586	2.3
108.08113	1.9
109.02872	3.0
109.10154	3.8
110.09654	0.7
111.08054	0.8
114.09145	0.9
116.10724	58.3
117.07058	0.6
119.08585	8.9
120.08101	1.4
121.10125	1.3
122.09674	2.5
123.08036	0.9
124.07581	2.6
127.03935	5.5
129.06989	0.6
133.10150	1.2
135.11700	1.1
137.05962	1.1
137.09610	7.6
140.10724	1.0
142.08609	4.5
143.10652	2.0
145.04932	1.5
146.42418	0.7
147.08060	2.4
147.11827	0.7
150.09091	0.8
152.10713	0.8
165.09117	1.3
173.13271	0.6
183.10071	0.8
187.74164	0.6
196.16928	1.3
201.11302	0.7
209.11800	0.8
214.18045	7.4
220.16811	0.7
227.12817	1.0
227.17332	0.7
236.20142	1.1
238.18089	2.4
243.12291	0.8
245.13814	1.8
254.21213	6.4
256.19156	4.8
261.13379	4.4
273.90338	0.7
280.19083	7.2
293.07758	0.7
298.20163	5.4
316.21173	100.0
317.21487	1.6
373.35675	0.7
376.23151	1.1
396.27591	1.4
414.28473	18.8
478.26453	28.8
576.25171	0.5
576.33643	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	577.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01858	4.9
55.05507	19.2
57.03431	4.4
57.07071	12.7
57.93150	2.0
61.02901	4.4
67.05499	22.6
69.03422	18.8
69.07063	49.9
70.06573	5.3
71.04996	4.4
71.08627	6.4
71.09565	3.1
71.09911	3.7
72.08131	2.8
73.02911	2.1
76.43105	1.9
79.05493	14.8
81.03421	17.7
81.07053	100.0
83.08615	30.1
85.02905	47.3
85.06528	6.1
85.10190	2.7
87.00827	17.5
91.05486	7.1
93.07040	29.7
95.04940	4.5
95.08605	89.5
97.02887	17.0
97.10155	20.9
99.04453	7.3
99.08114	5.9
105.01857	21.0
105.07039	7.9
107.08585	26.4
109.02889	12.8
109.10151	58.1
109.10851	4.0
110.64745	2.0
111.08094	10.0
111.11722	17.9
115.03901	2.8
119.08585	6.1
121.10149	15.1
123.04435	2.7
123.11709	37.2
125.09579	3.0
125.13290	10.5
127.03902	22.2
127.11187	4.9
131.08566	2.9
132.52742	2.1
133.10097	3.8
135.11690	9.3
135.55028	1.9
137.13245	28.9
143.08577	3.2
145.04956	8.8
145.10088	4.2
147.11609	2.9
149.13239	28.3
151.14792	12.5
153.12868	2.3
155.14281	5.4
159.02873	5.5
159.11751	2.3
163.14798	10.0
165.16397	4.7
167.14357	9.8
173.13243	2.8
177.16431	4.3
179.17891	5.1
191.17894	5.0
193.19505	3.5
205.19569	4.7
212.09114	2.4
219.21112	3.4
231.04948	5.4
249.05919	4.7
263.27319	2.8
275.27271	17.1
281.28406	8.1
293.28394	29.2
311.29434	3.6
329.30130	2.4
330.63522	2.0
376.15604	2.3
383.29391	2.9
401.30447	2.8
487.30200	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	575.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01861	5.7
55.05508	21.1
56.05026	2.5
56.77909	2.4
57.03437	5.1
57.07069	11.0
59.05011	3.3
61.02912	7.5
65.03931	4.1
67.05509	29.7
69.03432	35.3
69.07062	49.4
69.74522	18.7
69.74845	4.3
70.06589	24.2
71.04981	11.0
71.08626	5.0
71.28201	2.6
72.08147	12.7
72.22731	2.7
74.06075	3.0
79.05478	20.6
81.03415	21.0
81.06588	5.9
81.07054	100.0
81.07536	5.0
83.04968	15.1
83.08609	21.5
84.04508	8.0
84.08140	8.0
85.02899	52.8
85.06566	13.1
85.06979	2.5
86.09698	23.7
87.00817	9.9
91.05476	21.1
93.07043	37.1
95.04954	10.5
95.08602	71.6
97.02898	20.5
97.06532	20.7
97.10163	5.1
99.04473	8.2
99.08109	5.6
100.11261	3.4
103.05449	4.8
105.01889	7.2
105.07037	28.5
107.04955	9.6
107.08582	33.5
109.02875	14.4
109.06506	8.0
109.10152	40.5
110.07195	6.3
111.04442	5.4
111.08064	16.7
111.11709	6.3
115.04002	4.4
117.07019	8.0
119.04943	4.3
119.08572	16.4
120.08099	9.0
121.06499	12.0
121.10142	24.6
123.11703	36.7
125.05988	21.1
127.03909	27.7
129.07019	5.7
129.10291	3.6
131.08572	8.0
133.06528	3.5
133.10136	14.6
135.08028	3.7
135.11682	23.8
136.07579	4.2
137.05948	14.0
137.07907	2.8
137.13255	29.8
139.07558	3.5
139.11203	4.0
143.07022	15.2
143.08589	5.6
145.04906	6.7
145.06514	3.6
145.10155	18.4
147.08038	4.1
147.11661	16.3
149.13266	24.4
151.07634	4.1
151.14835	3.6
153.12752	13.0
155.14262	5.0
157.10114	6.7
159.07990	6.1
159.09229	3.6
159.11697	12.1
161.13251	6.0
163.04050	3.4
163.07504	5.1
163.11188	4.6
163.14844	10.0
165.12758	10.3
171.11673	3.2
171.13704	3.5
173.09616	14.3
173.13240	3.6
175.14830	5.1
177.05490	10.0
177.12694	5.1
177.16409	3.5
182.15556	4.1
185.13072	3.0
187.11205	12.9
190.08678	7.6
191.10678	8.1
203.10776	4.1
203.17984	4.9
205.12190	13.4
209.11702	4.6
215.10654	12.2
217.19461	7.8
221.11729	6.9
231.04944	5.8
233.11758	12.2
235.20613	3.7
249.05965	3.1
251.12781	9.6
261.15250	3.4
261.25537	3.5
273.25793	8.1
279.26801	5.0
291.26794	23.5
294.76904	2.9
309.27859	10.2
327.28778	5.4
344.79492	3.1
397.72595	3.1
503.30209	2.8
575.22510	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	575.6125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	36.1
57.07077	60.7
58.06270	3.6
67.05505	43.6
69.06683	4.7
69.07066	78.3
71.08292	4.3
71.08636	55.2
71.59094	4.4
79.05485	4.5
81.07057	83.7
83.08624	56.0
85.10185	35.4
95.08607	100.0
97.10159	46.6
99.11732	5.5
108.38600	3.1
109.10165	55.8
111.11737	33.2
123.11700	24.2
125.13232	10.5
137.13263	14.4
139.14859	5.9
151.14804	10.0
159.11758	2.9
165.16402	7.9
305.31827	3.2
361.38370	4.8
442.78424	3.1
557.60059	11.0
575.50116	6.7
575.60944	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	576.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05034	0.5
60.04525	2.9
65.99452	0.5
69.03418	0.9
70.06587	3.9
70.70160	1.3
72.08153	5.5
74.06075	1.0
79.05486	0.6
81.03407	2.0
84.04500	1.3
84.08161	2.5
85.02938	0.6
85.14545	0.5
86.09708	8.8
87.10042	0.8
91.05467	1.2
95.01319	2.4
95.04966	0.8
97.02891	2.4
98.72874	0.6
107.04953	2.8
110.07124	0.6
113.02354	1.4
115.05458	3.0
115.08665	0.5
116.07025	0.6
120.08081	0.6
121.06496	0.7
121.13994	0.5
123.00786	1.6
123.04414	2.5
124.07588	0.5
125.02362	2.8
129.10223	1.5
131.04938	1.0
132.10197	0.8
133.02881	0.5
135.04366	0.8
137.05951	1.0
141.01784	1.2
143.04932	8.9
145.02852	0.6
145.06451	0.7
147.04440	0.9
149.05971	1.4
152.07085	0.8
160.07564	1.2
161.05980	11.5
163.01471	0.6
163.03943	2.3
164.07158	0.8
165.05605	0.6
167.07031	19.5
173.06010	0.7
176.07082	2.6
177.05493	1.0
177.07864	2.3
178.08652	16.9
179.07069	0.7
179.08598	1.2
181.04915	0.6
181.06422	0.7
181.08533	1.3
187.03738	1.0
189.06973	1.2
195.07997	0.5
199.18042	1.3
202.06140	0.7
204.06651	0.5
205.06471	1.7
206.07401	1.0
207.08069	5.3
210.06764	0.8
211.07449	0.8
217.06497	1.5
218.07645	0.5
219.08116	0.6
220.05290	1.1
221.05986	1.9
223.07530	1.8
224.08368	0.5
227.17616	0.6
233.06003	1.0
234.06747	2.3
235.07550	11.1
235.09863	1.1
237.05310	1.1
238.06230	1.6
239.06804	0.9
245.05992	0.8
247.07571	1.4
249.05421	2.6
250.06163	1.2
251.06963	2.5
252.07768	3.0
253.08638	6.0
255.06512	1.0
262.06253	8.3
262.08789	0.9
263.07053	10.5
263.09604	0.5
265.04950	2.8
265.08438	0.9
265.10989	1.3
266.05746	3.2
267.06528	2.6
267.10117	1.9
276.10477	0.6
277.05051	0.6
278.05569	0.7
278.08258	1.1
279.06424	1.6
279.08936	1.7
279.71289	0.5
280.07144	3.1
281.08093	10.1
282.08875	3.1
283.05984	2.2
283.09302	1.0
290.05774	2.3
291.06491	1.4
293.07654	1.2
293.10687	1.2
294.05396	0.6
294.11307	2.0
295.06171	0.8
295.09464	3.1
296.09323	0.8
297.07538	0.7
298.08337	4.2
306.07840	0.7
307.08429	1.3
308.06741	3.7
308.09311	2.6
309.07538	5.1
310.08179	0.9
311.05438	0.9
313.10645	12.0
314.11002	1.1
315.12286	2.0
321.09900	3.2
322.10727	4.1
323.08890	7.6
324.08636	4.0
326.07788	2.8
338.10010	3.2
339.11017	9.5
341.10165	12.5
343.11795	0.9
344.14896	1.4
346.16507	11.2
354.13336	20.5
357.11850	0.8
372.14420	47.6
373.14670	1.1
390.15457	100.0
391.15723	2.7
576.16663	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	575.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95876	8.2
53.03934	16.4
55.01850	7.6
55.05505	19.9
57.03422	9.3
57.07066	20.0
61.02916	12.3
64.98995	6.9
67.05486	39.4
69.03421	48.1
69.07067	64.7
69.58099	8.3
70.06583	14.1
71.04971	13.9
71.08615	13.7
71.51376	12.2
72.93764	9.4
77.89803	8.1
79.05489	20.6
81.03394	44.2
81.07055	100.0
83.08617	30.2
84.08144	9.7
85.02903	75.6
86.09709	11.5
87.00816	21.0
91.05470	34.0
93.07049	70.1
95.04967	12.2
95.08604	99.5
97.02874	34.0
97.06520	8.8
97.10171	18.7
99.04469	13.9
103.76074	7.2
105.01865	19.5
105.07004	28.4
107.08593	51.6
109.02874	25.6
109.06481	10.0
109.10154	47.2
111.08127	9.5
111.11721	12.7
117.06990	8.1
118.02692	7.1
119.08566	39.4
121.10117	32.4
123.11716	34.0
127.03912	55.5
131.08565	16.8
133.10126	31.3
135.08070	9.9
135.11658	36.6
137.05927	9.0
137.13281	22.4
145.05009	9.2
145.10138	13.4
147.11670	23.5
149.13232	29.1
161.13260	19.2
187.05849	7.5
189.16296	8.3
191.18030	10.6
231.05028	22.6
242.90343	7.3
262.60117	9.2
273.25824	27.4
291.26862	14.1
295.10486	8.3
309.15094	13.2
309.27942	9.1
320.96091	7.3
325.14709	12.1
327.16052	17.0
369.17368	8.1
411.54971	7.8
496.34851	8.6
575.50360	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	576.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70053	0.5
50.99697	0.5
53.03949	0.7
53.57454	0.6
55.01852	1.1
55.05510	1.6
56.05014	0.8
57.03437	1.0
57.07083	0.7
61.02908	1.1
62.06088	0.8
67.05503	2.6
67.30672	0.6
69.03424	4.9
69.07059	2.2
70.06582	2.3
70.15055	2.4
71.04972	0.7
71.08633	6.4
72.08147	2.5
73.02879	0.9
79.05481	2.4
80.05720	0.5
81.03417	3.4
81.07061	4.8
83.08595	1.1
84.04498	1.1
84.08144	2.0
85.02891	6.2
86.06066	9.2
86.09704	1.4
87.00808	1.0
87.04448	0.7
91.05466	3.5
93.07049	3.8
95.04955	0.7
95.08604	6.1
96.08115	2.6
97.02888	3.5
98.06080	0.7
98.09693	4.1
99.04461	1.4
99.08092	5.5
105.07018	1.6
107.08550	1.2
108.08078	1.4
109.02866	1.7
109.10171	2.7
116.10732	29.0
117.07073	0.6
119.08588	6.9
120.08100	1.6
121.10187	0.9
122.09677	1.2
123.04382	0.7
123.11660	0.7
124.07590	0.6
126.09172	0.6
127.03922	3.5
133.64920	0.6
136.11212	1.0
137.05978	0.7
137.09605	5.4
140.10660	0.7
142.08606	1.0
143.10660	1.9
145.04956	0.8
147.08055	1.7
154.15916	2.9
155.10674	0.9
158.38815	0.6
165.09102	2.1
166.15909	1.9
168.17392	0.9
177.05511	0.7
178.15962	1.2
183.10152	2.6
196.16982	6.9
201.11183	4.7
214.18019	100.0
215.18382	1.1
254.21109	1.4
256.18985	1.2
261.13361	0.9
280.19055	2.0
298.20129	1.6
316.21198	24.2
376.23282	16.6
376.28033	0.8
396.27438	0.6
414.28482	9.3
478.26526	8.0
576.33649	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	574.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.05502	1.1
56.05014	0.7
57.03428	1.0
57.07075	1.4
60.04539	0.5
61.02913	1.0
66.23193	0.5
67.05495	5.7
69.03086	0.6
69.03407	2.8
69.07063	9.8
69.73446	2.4
69.73868	1.0
70.06593	5.0
71.08643	0.5
72.08150	2.2
73.02911	1.4
76.03976	0.5
79.05026	0.7
79.05487	14.0
81.03420	2.2
81.07052	11.4
82.07372	0.5
83.04969	1.4
83.08626	1.0
84.04502	1.1
84.08145	1.7
84.36023	0.5
85.02911	4.5
86.09702	96.2
87.00830	1.3
87.10032	1.1
88.03967	0.6
91.05474	6.0
93.07038	25.3
94.07348	0.7
94.87283	0.5
95.04960	1.9
95.08603	5.9
97.02887	3.2
97.06519	1.1
98.21463	0.6
105.07039	4.7
107.04948	1.5
107.08585	15.9
109.02868	1.3
109.06485	1.0
109.10142	1.1
110.07191	1.2
115.03925	0.6
117.07040	3.1
119.08601	2.0
120.08119	1.4
121.06536	1.3
121.10152	3.7
123.08059	0.7
123.11686	0.6
125.06026	0.8
127.03922	1.7
127.88788	0.5
129.06949	0.5
129.10184	1.2
129.49799	0.4
130.04892	0.4
131.08582	3.8
132.10196	47.6
133.04970	0.6
133.10126	8.2
134.03021	0.5
135.08055	3.2
135.11687	20.8
136.07541	0.5
137.13196	0.5
142.60080	0.6
145.04977	0.9
149.09422	0.4
149.13258	15.6
151.07542	0.6
151.14796	1.4
155.11771	0.6
159.11702	2.5
172.44084	0.4
177.05498	0.9
177.12741	9.9
184.96068	0.5
192.13887	1.4
207.82690	0.5
238.14339	1.0
238.81445	0.5
262.21658	13.1
290.21078	0.9
308.22177	100.0
309.22543	1.9
326.19415	1.0
326.23251	18.6
346.60425	0.6
348.47803	0.5
413.30551	0.5
494.76099	0.5
500.60248	0.5
507.27744	0.5
600.88776	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	574.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91819	0.5
55.05500	1.0
56.05032	2.8
60.04522	13.7
69.07058	0.5
69.79046	1.0
69.79454	2.6
70.06588	12.1
72.08153	9.6
74.06076	1.8
75.05599	0.5
83.06108	1.3
83.89693	0.5
84.04502	3.4
84.08140	71.8
85.02841	0.6
86.06063	6.2
86.09704	11.1
87.05582	2.1
88.03965	0.7
89.03929	0.6
89.07223	0.5
95.10425	0.4
98.21452	0.7
99.05598	0.8
101.07129	1.7
101.10783	2.2
102.05511	1.4
107.04974	0.6
108.23653	0.5
110.06052	0.6
110.07178	0.9
111.09221	0.7
112.07578	0.7
113.07088	0.7
114.05527	6.9
114.18806	0.6
115.05106	0.6
115.08725	0.6
117.06602	2.9
125.60394	0.5
129.10234	100.0
130.04996	1.3
130.08635	1.7
135.04390	1.3
138.09143	0.6
139.05099	0.6
139.08652	1.7
140.07091	1.4
141.06534	2.9
141.10217	2.1
145.02879	0.8
145.05038	0.9
145.06073	4.9
147.07697	1.1
147.11279	1.5
148.25060	0.6
151.08701	0.8
152.07045	1.3
155.08141	1.0
155.12024	0.7
157.06081	1.0
163.03883	5.8
167.04445	0.6
169.09727	2.3
171.11227	0.6
173.12914	1.5
177.05638	0.6
183.07646	8.0
183.11258	1.2
184.07220	0.5
186.12378	17.8
194.09344	1.0
195.07690	0.6
196.10834	0.9
197.12932	0.9
199.10757	0.6
201.08644	1.3
201.12360	1.1
202.08212	1.7
204.13429	0.7
212.10333	2.5
217.11880	1.2
225.13509	0.9
228.13376	1.3
230.11250	0.9
240.09802	3.3
243.14540	4.2
243.17061	1.5
248.12340	0.8
258.10849	3.0
259.13034	0.7
260.19666	5.6
261.15558	0.9
262.10367	0.9
297.12018	0.5
303.40198	0.5
306.70636	0.6
312.16846	0.6
315.12933	3.9
317.21820	2.2
330.17688	4.4
374.24042	2.5
382.20816	0.8
383.19330	0.7
443.22440	1.5
461.28128	3.6
538.30145	0.9
556.31421	3.7
574.31897	60.2
575.31836	1.7
604.33160	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	574.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
53.46858	0.3
55.01856	0.6
55.05503	1.1
57.07062	0.9
59.92545	0.3
67.05502	4.8
68.25103	0.3
69.03416	1.5
69.06685	0.4
69.07064	8.9
79.05488	14.0
81.03404	1.3
81.06589	0.6
81.07053	10.2
83.04958	0.5
83.08611	0.9
85.02887	1.7
86.09701	95.4
87.00821	1.2
91.05473	4.9
93.07038	25.4
95.04955	1.1
95.08594	3.5
97.02899	0.7
97.06511	1.0
100.74341	0.3
104.69743	0.3
105.01907	0.5
105.04500	0.4
105.07030	3.2
107.04958	0.7
107.08588	16.1
109.02851	0.5
109.06479	0.6
117.07001	3.1
118.79589	0.3
119.08577	2.0
121.06495	0.8
121.09425	0.4
121.10159	3.6
123.08082	0.4
127.03930	0.6
130.08650	0.7
131.08548	2.6
132.10197	48.4
133.10126	8.4
135.08057	3.3
135.11679	20.5
135.12735	0.7
137.64012	0.3
145.05013	0.3
146.41403	0.3
147.11595	0.4
149.13252	14.4
151.14813	1.8
159.02711	0.5
159.11690	3.3
177.12726	10.4
184.44127	0.3
192.13832	1.3
194.15448	0.5
238.14333	1.2
262.21652	14.3
262.24451	0.7
266.67435	0.3
290.21002	1.1
308.22177	100.0
309.22485	0.9
326.23248	18.5
491.10434	0.5
505.70883	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	573.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01870	1.6
55.05511	7.8
57.03412	1.9
57.07059	3.6
65.03944	1.3
67.05502	9.9
69.03424	7.2
69.07065	20.9
70.04718	3.8
70.06590	4.2
71.04987	3.1
71.08624	1.5
72.08161	2.4
79.05492	8.4
81.03410	7.9
81.07051	26.2
81.07536	1.4
83.05002	1.2
83.08611	8.5
84.04508	1.7
84.08128	3.9
85.02898	12.0
85.06546	3.5
85.92657	1.0
86.09693	5.5
87.00819	3.7
91.05473	22.4
93.07038	100.0
95.04961	43.5
95.05569	1.6
95.08602	23.1
95.09184	1.5
97.02886	4.4
97.06524	3.0
97.10159	1.8
99.04450	4.7
99.08106	1.6
105.01857	5.0
105.04527	2.9
105.07011	10.7
107.08579	15.3
109.02875	3.5
109.06515	3.9
109.10147	16.8
110.07143	1.0
111.08059	5.3
111.11669	1.8
113.09665	1.1
117.06985	1.7
118.54233	0.9
119.08584	8.3
120.08116	3.8
121.06514	1.5
121.10136	12.1
123.08129	1.0
123.11709	10.6
124.12049	0.9
125.09648	1.8
127.03911	9.0
127.07553	2.7
127.11076	1.0
129.10216	1.8
130.05022	1.0
131.08585	3.1
133.10104	6.3
135.11696	4.1
137.09663	1.4
137.13277	3.4
139.11157	1.4
145.04933	3.2
145.10124	4.9
147.11688	7.8
149.09624	1.7
149.13231	8.4
151.11230	1.7
153.12680	1.4
159.02901	1.9
159.11703	3.5
161.05988	1.3
161.13220	4.9
163.11212	2.4
163.14810	3.5
165.12791	1.6
167.14420	1.1
173.13329	1.3
175.14784	3.2
177.12819	1.6
177.16411	4.1
189.16359	1.1
191.17911	1.6
195.17436	1.2
201.16359	1.7
203.17909	6.7
215.17979	2.9
217.19516	1.1
219.17545	1.4
219.46022	1.1
221.18991	13.9
231.04976	2.3
233.19048	1.2
239.20079	8.1
271.24106	4.9
289.14508	1.1
289.25259	16.7
307.26263	18.5
308.22263	1.3
323.73315	1.0
573.30237	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	573.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05513	10.4
57.07068	4.2
57.11738	1.2
65.03945	2.1
65.57114	1.2
67.05502	26.7
69.03439	6.5
69.07065	38.4
70.06589	6.9
71.04987	4.7
71.51637	2.3
72.08137	2.4
74.06064	1.8
79.05489	18.6
80.23535	1.3
81.03417	4.5
81.07051	100.0
83.04981	1.7
83.08612	5.7
84.04502	2.5
84.08163	2.8
85.02884	6.6
85.06538	3.3
86.09711	7.4
87.00812	3.0
91.05476	14.1
93.07037	43.2
95.04949	6.6
95.08602	49.5
97.02885	2.4
97.06532	8.2
97.10162	4.0
99.04424	1.5
105.01870	2.7
105.07025	24.4
107.08585	42.0
109.02903	3.0
109.06512	6.3
109.10152	41.5
110.07150	1.4
111.04498	1.4
111.08067	3.3
111.11709	1.9
117.06990	3.3
119.08572	18.1
120.08100	4.2
121.10140	22.8
123.08073	2.4
123.11694	72.7
124.12027	1.5
125.09633	2.9
127.03880	3.7
127.11199	1.5
131.08527	7.4
133.10132	19.1
135.11694	13.6
137.06004	2.0
137.13252	4.7
139.11165	5.2
143.08575	1.7
145.04951	1.7
145.10098	8.1
147.11674	15.3
149.13269	11.6
151.11176	17.6
151.14777	1.8
159.11665	11.4
161.13239	12.2
163.14836	8.8
165.12764	1.8
173.13211	4.3
175.14801	8.8
177.16380	3.8
179.14336	2.4
183.50525	1.3
187.14682	2.3
189.16312	6.8
201.07738	1.3
201.16405	5.8
207.17377	2.7
215.17900	8.0
271.24188	12.7
289.25250	40.1
289.28400	2.6
307.26346	2.4
371.78357	1.4
522.64734	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	572.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43551	5.7
53.03924	6.7
55.01860	6.2
55.05497	19.3
57.03411	7.6
61.86465	5.8
65.27985	5.5
67.05490	33.5
68.99780	7.1
69.03416	22.0
69.07069	40.2
69.84602	25.1
79.05495	28.6
81.03422	29.5
81.07047	100.0
83.08601	10.9
85.02905	57.6
86.09681	7.1
87.00826	19.2
91.05473	37.7
93.07040	66.3
95.04923	5.5
95.08602	71.9
97.02866	22.5
97.10168	7.9
98.21486	7.0
99.04427	9.3
105.01838	19.6
105.07030	70.1
107.08588	69.5
109.02869	17.3
109.10157	57.0
117.07039	5.8
118.81707	5.7
119.08581	52.2
121.10134	34.4
123.11700	20.6
127.03921	44.9
131.08548	23.7
133.10100	34.8
135.11664	32.3
145.04919	12.5
145.10153	21.9
147.11682	36.1
149.13225	29.6
159.02888	17.5
159.11717	21.0
161.13232	22.4
163.14798	23.1
170.84407	6.2
173.13310	11.7
175.14842	18.6
177.16367	11.1
187.14796	23.8
189.16379	20.6
201.16405	23.4
203.17969	10.2
215.17972	23.1
250.75471	6.2
271.24225	55.2
395.32657	6.5
405.80774	5.4
476.65018	7.0
546.70398	6.0
560.64459	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	572.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
53.72528	1.1
54.26528	1.3
55.01863	3.2
55.05499	4.7
56.05019	1.8
58.99582	18.1
67.05486	7.5
68.72073	1.0
69.03408	2.0
69.07065	100.0
70.06595	8.4
70.80700	3.1
72.08159	6.3
73.06551	14.8
74.00658	2.7
76.02224	92.6
76.03994	3.0
79.05490	26.9
80.04990	1.7
81.03410	6.2
81.07058	9.1
83.04951	1.5
83.08575	2.1
84.04497	25.7
84.08115	2.7
85.02876	2.9
86.09703	19.0
86.99036	4.0
91.05472	7.6
92.05773	1.5
93.07024	7.5
95.04971	1.8
95.08601	5.9
97.02887	2.5
97.06527	31.2
99.05561	1.5
101.43228	1.3
102.05549	2.2
105.07018	7.1
107.04926	2.4
107.08583	23.3
109.06474	2.2
109.10143	3.8
110.07125	1.4
114.03767	2.5
115.07563	8.0
116.00897	2.2
116.01672	26.2
117.07018	1.7
119.08576	4.3
120.08083	3.1
121.10161	3.5
122.09660	4.5
123.11694	3.3
125.05949	6.1
127.03908	2.8
129.06573	2.9
130.04993	12.6
131.08545	4.3
133.10107	4.0
136.07520	1.4
139.11162	1.4
141.04759	1.8
142.03194	16.0
143.07022	76.4
144.01126	15.6
144.07310	1.6
145.10123	6.7
147.11673	1.7
149.09636	3.4
150.09119	4.0
157.10101	1.7
159.11700	1.8
161.08092	32.4
162.02194	54.9
168.10199	18.1
169.10077	1.6
170.02734	5.8
171.10091	2.0
174.02107	1.3
179.04846	88.3
182.06335	4.4
187.05310	5.2
187.10794	5.1
200.07333	2.7
201.16330	5.7
215.04839	3.6
215.10219	3.4
218.08412	4.7
228.07037	2.1
229.15903	5.1
233.05904	15.2
245.05902	6.7
245.18460	2.0
246.07890	6.4
247.16924	19.6
265.17981	11.8
285.12592	4.0
290.07822	1.5
306.20743	2.1
306.24927	1.4
308.09073	24.6
322.18387	2.4
328.18665	3.7
340.15363	1.4
340.19388	26.5
414.17215	1.5
443.22101	32.3
497.23148	7.0
554.25092	2.1
572.25079	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	571.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91968	2.0
53.03940	2.2
55.01876	9.7
55.05510	46.0
57.03445	1.8
57.07063	2.7
65.35403	1.3
67.05512	9.4
69.03419	7.2
69.07068	21.8
70.06602	3.1
70.71466	3.0
70.71834	2.9
71.04999	1.6
71.85613	1.6
79.05483	8.6
81.03442	2.9
81.07053	40.8
83.04986	12.2
83.08613	3.4
84.04512	1.9
84.08103	2.4
85.02915	4.0
85.06541	6.0
86.09706	3.4
91.05470	5.9
93.07047	15.7
95.04951	3.0
95.08611	19.1
97.02937	2.5
97.06549	6.9
97.10199	2.9
98.21465	1.4
98.97590	1.6
99.04470	3.3
101.70347	1.3
105.07036	10.9
107.08590	19.1
109.02910	2.3
109.06527	7.6
109.10169	9.9
111.08085	15.6
113.06053	3.5
117.07066	1.3
119.08577	8.8
121.10143	19.6
123.08109	2.4
123.11709	100.0
125.09652	4.7
127.03908	2.3
129.07019	1.7
131.08591	2.8
133.10109	15.1
135.11681	9.7
137.13361	1.5
139.07556	3.2
139.11177	51.5
143.08583	1.6
145.10159	3.5
147.11713	6.3
149.09660	2.9
149.13292	4.3
151.11198	4.8
157.10104	4.9
159.00966	1.5
159.11690	3.8
161.13281	2.7
165.12811	2.0
167.10663	24.6
173.13278	3.1
175.11180	4.0
177.16360	3.4
187.14822	3.4
189.16371	20.2
195.13823	3.5
207.17453	25.3
213.16342	10.5
223.16856	2.9
237.18489	2.6
249.18500	6.0
269.22672	6.0
287.23611	7.0
305.24759	40.1
323.25818	1.4
388.83401	1.6
571.30658	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	571.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01864	8.7
55.05511	52.1
57.03431	1.8
57.07069	3.2
59.82438	1.3
60.51786	1.2
61.02911	1.3
62.81622	1.5
67.05502	11.4
69.03429	10.4
69.07069	25.7
69.97491	7.7
70.06588	6.8
71.04989	3.2
79.05475	6.3
79.35352	1.3
81.03389	3.7
81.06608	1.9
81.07060	37.8
83.04973	11.0
83.08603	4.2
84.04499	3.6
84.08134	3.0
85.02899	10.2
85.06529	5.7
86.09721	2.3
87.00826	2.3
91.05479	6.8
93.07038	21.9
95.04961	3.4
95.08606	24.2
97.02891	3.3
97.06513	6.4
97.10162	2.5
99.04452	5.7
99.08089	2.1
105.01835	1.9
105.07016	12.2
107.08578	19.4
109.02861	3.1
109.06506	4.1
109.10157	10.6
111.08084	14.8
113.06001	2.9
116.10697	1.7
119.08585	11.1
121.06459	2.1
121.10146	17.8
123.08070	2.4
123.11702	100.0
125.09604	5.7
127.03902	3.2
129.07010	1.3
131.08559	4.2
133.10158	14.9
135.11699	10.6
137.09593	1.5
137.13274	2.2
137.45831	1.6
138.62915	1.3
139.07532	3.5
139.10101	3.1
139.11168	44.7
143.08611	1.9
145.10089	4.6
147.11665	8.9
149.09599	3.5
149.13255	6.3
151.11183	7.0
157.10130	4.8
159.11682	5.8
161.13252	3.4
163.11151	2.3
167.10681	23.0
171.11641	1.8
173.13203	2.5
175.11154	3.1
177.16362	4.7
185.13373	1.8
187.14891	2.2
189.16379	23.4
195.13847	2.7
199.14917	3.1
203.17949	2.1
207.17427	26.6
213.16382	11.3
214.17908	2.6
223.16925	3.4
223.76669	1.5
229.19205	1.7
234.30510	1.5
235.94273	1.5
237.18491	2.1
249.18451	5.4
269.22638	6.4
287.23697	8.0
305.24741	38.7
399.47522	1.7
429.11417	1.5
481.28189	1.9
571.30469	5.0
578.30524	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	571.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46733	3.6
55.01868	13.3
55.05507	43.2
57.07082	6.4
65.03948	3.4
65.91674	3.3
67.05502	60.4
69.07063	53.2
69.41855	27.4
79.05489	45.8
81.03407	7.1
81.07050	72.5
83.04981	5.6
83.08625	27.0
91.05476	42.2
93.07034	48.1
95.04961	8.4
95.08608	56.1
97.06535	16.2
97.10165	34.4
105.07024	45.8
107.08586	35.2
109.10139	29.0
117.07005	33.3
119.08586	38.8
121.10157	25.9
123.11720	7.9
125.09618	21.5
128.06244	4.2
129.06993	15.0
131.08563	45.9
133.10118	31.1
135.08131	3.9
135.11696	26.2
137.47342	4.3
142.07764	3.9
143.08557	18.4
145.10115	46.7
147.11649	27.1
149.13301	7.6
149.92775	4.2
155.08569	13.2
157.10092	18.4
159.11713	33.9
161.13315	9.5
163.11172	4.5
169.10136	14.0
171.11638	21.8
173.13269	33.4
175.14839	8.2
181.10187	7.6
183.11726	9.8
185.13278	17.6
187.14784	19.6
189.11237	14.2
191.76741	4.0
195.11542	4.3
197.13162	9.1
199.14870	12.9
201.16368	11.4
209.13333	7.7
211.14879	5.2
213.16394	7.0
215.17931	5.5
221.15315	8.9
223.14847	6.0
225.16280	4.8
227.17870	9.3
239.17912	4.7
275.20050	6.9
277.21616	10.0
289.21738	5.2
315.23077	9.0
367.30051	10.1
383.29056	6.1
383.33420	8.7
385.31039	100.0
399.32574	8.3
423.32593	4.2
443.20135	4.1
459.34888	12.8
513.39392	4.9
517.40594	7.6
535.41431	19.5
553.42590	72.5
571.43536	62.0
585.97437	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	568.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	19.2
57.07061	8.6
67.05495	16.7
68.11073	8.1
69.07039	11.8
70.13248	28.7
79.05485	25.5
81.07052	41.4
81.73111	9.2
83.08585	8.1
87.25040	8.1
91.05470	49.7
93.07052	53.2
95.04951	49.7
95.08607	25.5
98.21449	10.7
105.07024	92.4
105.48119	9.2
107.08619	49.3
109.10148	20.4
117.06988	30.7
119.08565	99.1
121.10163	27.2
123.08044	22.8
128.06233	11.0
129.06992	26.2
130.07774	14.9
131.08539	55.1
132.09320	12.2
133.10141	44.7
135.08032	9.9
135.11658	19.0
135.38551	7.9
138.10423	12.1
141.07013	13.7
142.07797	18.0
143.08557	73.5
144.09319	18.1
145.10120	79.8
147.04781	9.3
147.11684	20.4
149.09634	10.4
155.08554	15.1
156.09322	23.4
157.10155	49.6
158.10916	11.6
159.11691	46.1
159.14105	9.3
162.46469	9.0
169.10121	31.1
170.10849	12.3
171.11684	28.5
171.19984	8.6
173.13268	43.3
175.14839	28.6
179.08569	19.0
181.10135	23.0
183.11656	29.1
185.13226	23.9
186.14058	14.9
187.14952	11.9
191.14302	18.4
193.10150	11.5
195.11682	14.3
197.13240	34.5
199.14888	11.6
201.16327	11.3
207.11650	19.2
209.13258	30.8
211.14857	16.8
221.13217	18.3
225.16364	11.5
237.16431	10.5
263.17896	12.1
268.40396	12.3
323.23660	18.4
338.25989	100.0
430.32285	21.8
476.36417	30.7
568.42419	46.5
568.56494	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	570.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.05488	0.7
56.05024	0.5
56.27413	0.4
57.07070	7.1
58.06575	1.9
63.81765	0.4
65.59218	0.4
68.05021	0.5
69.07045	0.4
70.06588	19.3
70.92410	0.8
70.92732	0.5
71.08621	3.2
77.03909	0.6
78.46796	0.5
85.10183	1.1
88.07623	22.9
95.04953	0.8
102.09174	18.0
105.03383	17.6
105.03915	0.3
131.04994	1.0
139.03941	0.5
141.55972	0.4
147.04440	0.6
149.02335	11.9
149.05965	71.1
175.03925	1.0
181.06442	2.0
184.36815	0.5
193.04941	12.9
219.06549	1.2
228.22760	0.5
256.26331	57.1
257.26678	1.2
297.07578	17.0
341.10172	62.4
342.10516	2.0
570.34192	100.0
571.34564	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	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05494	0.9
56.05023	0.8
57.03422	0.5
60.04501	0.5
61.02913	0.4
66.21672	0.3
67.05498	0.6
69.03405	1.6
69.07066	1.0
70.06593	7.5
71.04984	0.5
71.51337	0.4
72.08169	3.1
73.02925	0.5
74.06071	1.3
81.03427	1.9
84.04514	2.3
84.07706	0.4
84.08150	2.2
85.02906	2.8
86.09708	4.3
87.00822	1.2
87.05563	0.5
87.10016	0.4
91.05466	1.1
95.04916	0.5
97.02888	1.6
99.04456	0.7
101.07127	0.5
102.05489	0.6
103.05482	0.4
105.01830	0.6
105.07010	0.6
107.04939	1.1
109.02866	1.6
110.07129	1.4
115.05444	0.9
116.07045	0.6
119.04943	1.6
119.08575	0.4
120.08084	1.6
127.03890	1.5
128.06181	0.5
129.06966	1.2
129.10269	2.4
131.04965	0.4
131.08553	0.6
132.10190	0.4
133.02881	0.6
133.06494	0.4
134.05956	0.4
136.07576	1.8
137.06001	1.8
139.03951	0.4
141.06903	0.4
142.07744	0.8
143.08559	0.8
145.02844	0.5
145.04977	0.6
145.10091	2.1
147.04338	1.0
147.07721	0.6
147.88751	0.4
149.05978	1.3
152.07074	1.2
153.07022	2.7
154.07722	0.6
155.08559	29.9
157.10089	0.9
158.07182	0.6
159.02925	0.8
161.06004	0.6
164.07086	1.6
165.05751	0.4
165.07001	2.0
167.03374	1.3
167.07095	0.5
168.05725	1.2
169.10049	0.9
171.08040	0.6
171.11501	0.4
173.05997	0.6
173.09599	2.2
173.92372	0.4
175.07568	2.2
177.05446	1.3
179.08420	0.4
181.10083	0.6
183.08052	25.6
184.08817	0.5
185.09665	2.0
186.06850	1.0
187.07596	0.9
189.09079	1.2
195.08116	0.7
195.11681	0.4
197.09644	1.5
199.07532	1.1
199.11133	0.6
200.08339	0.7
201.09105	100.0
202.09633	1.1
203.10706	3.4
209.09604	0.8
213.03973	0.5
213.09055	5.2
215.10663	2.9
217.12286	2.7
218.11757	10.5
221.09607	0.5
223.14864	0.8
227.10643	0.8
230.11624	0.7
239.14322	0.6
240.11316	0.6
251.14284	1.9
259.16931	0.9
267.13812	1.4
269.15381	6.6
280.10260	0.6
285.14938	0.6
286.17883	1.1
287.16415	14.8
297.97610	0.4
300.15878	0.5
304.19061	23.1
305.17496	1.5
322.20129	8.4
325.10626	0.7
344.23975	0.5
354.26517	0.4
389.37747	0.4
392.20853	0.7
490.24658	0.5
498.19373	0.4
526.26642	0.9
534.23267	2.1
541.24481	0.4
547.28833	0.4
552.24426	3.8
570.25415	16.4
594.39178	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	565.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10658	4.3
51.61694	3.4
53.03936	4.1
55.05501	10.3
56.05022	9.6
57.03410	4.9
60.04522	10.0
61.46333	3.7
63.76011	3.6
67.05499	8.0
69.03417	17.0
69.07057	21.9
70.06588	100.0
70.33260	3.8
71.04966	7.2
71.06905	7.2
72.08154	58.5
73.02861	3.8
74.06059	6.8
79.05492	17.2
81.03415	13.5
81.07049	16.8
83.04972	40.2
83.06090	7.1
84.04496	30.6
84.08145	40.7
85.02899	14.0
86.09700	73.2
87.05576	5.7
87.10005	4.0
89.03912	9.7
91.05465	35.1
93.07021	22.1
95.04945	16.9
95.08612	5.8
97.02862	4.4
97.06523	29.5
99.04465	11.9
101.07137	8.9
102.05515	8.5
105.07018	54.0
107.04926	8.9
107.08573	13.4
109.06496	13.5
110.07148	12.5
110.84338	4.2
114.16014	4.1
115.08710	10.2
117.03361	12.0
117.07018	11.3
119.04945	11.5
119.08554	13.8
120.08099	47.1
121.06493	32.6
123.04411	6.5
125.05991	60.0
127.03918	6.9
127.07585	4.2
129.06976	4.5
129.10233	35.5
130.06407	4.1
130.08691	3.9
131.04895	4.6
131.08554	16.9
133.06525	6.2
133.10143	7.5
135.04408	9.8
136.07573	38.8
137.06032	20.9
143.07027	38.3
143.08194	6.4
143.08437	8.6
145.02838	26.5
145.06441	13.1
145.10127	69.0
147.04321	7.4
149.06003	10.9
150.05516	4.4
151.07529	18.3
152.07117	9.0
153.05426	5.8
157.08633	6.7
157.09903	4.2
158.07251	4.5
159.08005	8.2
159.09183	8.5
159.11731	27.6
161.05994	5.0
163.11168	14.4
167.07030	17.4
169.10112	14.1
173.09592	48.6
175.03947	5.0
177.05475	44.9
177.12799	10.9
181.05003	7.6
187.11156	60.2
188.11206	5.6
189.12767	4.8
191.10683	17.8
196.60086	4.1
199.07556	4.4
201.05348	6.3
205.12228	55.2
207.06439	4.8
207.11330	6.4
209.11668	6.7
215.10660	70.8
223.13322	5.3
233.11729	62.3
251.12764	36.3
255.06462	36.7
265.49789	4.4
269.13809	10.8
317.06522	18.7
355.11649	5.9
406.84296	4.3
413.17670	5.4
424.33609	4.9
453.24551	5.0
565.18848	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	567.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83993	0.8
55.37325	0.8
60.02513	0.9
67.05488	3.0
67.69896	0.9
70.06586	1.7
71.13390	2.2
74.38778	0.9
81.03379	1.1
81.07045	2.4
84.08141	1.1
91.05460	1.4
101.37438	0.8
157.10049	0.9
171.68097	1.0
191.02669	0.8
196.18134	0.9
216.77193	0.9
280.87790	0.8
347.52057	0.9
348.15723	1.1
384.37479	1.2
424.47446	0.9
469.20224	1.6
567.27570	100.0
568.28076	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	568.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05027	0.2
63.02355	0.4
69.07054	0.4
69.64353	0.6
69.64771	0.8
70.06591	1.2
72.08151	0.6
78.04720	0.4
81.07073	0.4
84.04513	0.4
84.08128	1.0
86.09703	1.8
89.03914	8.1
91.05487	1.3
93.07032	0.3
95.04944	0.4
103.05435	0.5
106.04144	0.5
107.04951	0.3
109.06566	0.4
117.03371	20.3
119.04939	0.4
120.08105	1.3
121.06460	0.5
129.04477	0.3
129.10254	0.4
131.04889	0.5
132.05695	0.3
133.06511	0.5
134.03593	1.6
135.04376	1.4
136.07542	0.3
137.05983	1.2
145.02841	49.7
146.03183	0.5
149.05978	7.7
153.05496	0.8
155.50012	0.2
158.05981	0.5
161.05983	1.1
163.03876	0.5
165.05470	1.6
166.08554	0.2
167.07047	0.5
177.05464	100.0
178.05783	1.2
184.07339	1.3
186.05516	2.4
191.06987	0.6
192.07802	1.0
193.08563	1.3
194.08156	1.4
200.37149	0.2
206.08115	1.8
208.06097	0.4
209.08057	0.4
218.76224	0.2
357.13132	0.3
358.12881	1.9
364.17841	0.7
375.14444	0.4
384.38693	0.3
392.16919	2.3
568.21631	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	565.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.01867	4.1
55.05500	0.6
57.03423	1.5
61.02906	1.7
64.40747	0.6
65.03921	0.9
67.05497	3.9
68.99782	1.0
69.03427	7.7
69.07059	0.8
70.06601	3.7
71.04993	1.7
71.55687	1.1
72.08155	0.6
73.02909	1.6
79.05488	1.4
81.03413	7.2
81.07034	1.6
83.04961	0.7
84.08150	0.9
85.02387	0.9
85.02899	15.9
86.09714	3.1
87.00836	6.2
91.03975	0.6
91.05466	3.1
93.07015	0.8
95.04946	3.3
95.08567	1.9
97.02888	6.8
99.04444	3.5
103.05451	1.1
105.01862	3.3
105.03360	0.9
105.07014	2.1
107.04946	3.5
109.02870	7.8
109.10120	1.3
110.07169	0.9
117.01814	1.3
117.03382	1.0
119.04887	1.0
119.08559	1.0
120.08078	1.6
121.06483	2.3
122.75917	0.7
123.04418	41.8
125.02321	1.4
125.05956	0.8
127.03915	9.9
131.04915	0.7
133.02853	1.3
133.06461	1.8
135.04443	0.9
137.05956	2.4
141.05463	3.4
145.02809	1.8
145.04947	3.3
147.02808	0.9
147.04424	3.2
149.05948	2.6
151.07529	2.8
159.02888	4.4
161.05995	1.7
165.05461	1.6
167.03400	25.1
167.07025	5.0
173.05954	2.7
177.05464	10.8
179.06972	1.0
181.04906	2.1
184.07356	0.8
185.04424	2.2
189.05472	1.0
193.04955	2.6
195.06508	22.6
201.05385	1.7
207.06505	23.3
207.08444	1.4
209.11731	0.7
225.38116	0.6
299.09122	55.7
300.09369	0.8
311.09085	2.2
317.06952	3.6
317.10162	100.0
337.10464	1.5
341.10196	5.6
341.63760	0.7
359.11011	1.0
365.09970	1.4
383.11246	2.6
404.76279	0.8
407.11365	4.1
425.12186	1.9
511.12445	1.6
526.63391	0.7
547.14569	0.8
563.20593	0.8
565.20947	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	565.1552
Annotation	Corymboside
Peak:m/z	Relative Intensity
55.01869	3.1
56.05032	2.4
57.03419	1.7
61.02916	4.1
68.99776	1.5
69.03423	1.8
69.37350	14.3
70.06590	17.0
71.01339	1.7
71.06922	1.4
72.08141	6.0
76.86050	1.7
81.03406	2.5
84.04497	4.5
84.08141	11.3
84.80633	1.6
85.02893	6.3
86.09710	17.3
91.05454	3.7
93.03386	2.7
95.04894	2.2
97.02884	2.6
102.05502	1.6
107.04957	2.9
109.02891	2.2
110.01548	1.5
110.07155	3.8
117.03371	2.4
117.06995	1.7
119.04933	10.9
120.08096	7.9
121.02862	41.8
121.03802	1.6
129.10223	7.7
135.04411	3.0
137.05969	2.0
145.02855	8.0
145.06398	2.3
147.04431	3.4
151.18269	1.5
152.07053	2.1
161.05974	4.4
163.03911	3.9
166.08575	3.0
167.06993	4.1
173.05925	2.5
173.12833	3.8
175.03915	2.2
177.01785	3.2
177.05435	7.1
179.03371	2.3
181.04944	2.5
187.03877	2.9
189.01793	10.8
191.03413	8.6
193.08534	2.9
195.02888	9.9
201.01817	1.5
201.05458	2.5
203.03346	14.7
205.04890	4.6
207.02876	12.3
209.04478	2.0
215.03363	6.9
217.04941	4.8
219.02892	7.2
221.04488	5.0
229.04913	4.9
233.04404	3.2
239.03413	2.1
243.02896	3.7
255.02904	3.2
255.06639	1.8
257.04419	4.0
261.04041	1.8
267.06543	3.4
268.07269	5.5
269.04449	3.1
273.03830	3.2
279.06567	5.3
280.07266	2.9
281.08075	6.2
283.05927	8.6
291.06622	1.9
292.07440	3.1
293.07913	4.6
294.05215	26.4
295.06006	96.8
296.06671	10.7
297.07599	12.3
304.06882	1.7
305.07895	2.1
306.08902	1.9
307.06006	63.3
307.09348	3.1
308.06696	18.9
309.04199	3.5
309.07510	19.6
313.07227	4.8
317.07996	2.3
319.06091	9.8
319.09225	2.2
320.06723	6.4
321.07562	38.5
322.08353	16.2
323.05737	2.1
323.09161	7.8
325.07034	81.7
326.07611	3.0
333.07504	21.1
334.08075	2.6
335.05432	2.1
335.09027	13.7
336.06091	4.0
336.09848	1.9
337.07034	68.9
338.07550	2.4
339.08591	2.4
345.07468	5.3
347.09009	15.8
349.07037	43.8
349.10657	2.5
350.07843	2.1
351.08588	28.7
355.08035	15.3
357.07587	3.5
357.97290	1.7
359.09042	2.8
361.07028	23.6
363.08585	10.9
365.10321	14.0
367.08185	8.8
373.06995	6.1
374.07843	3.2
375.08630	13.3
377.10220	3.1
379.08090	100.0
385.07053	2.3
387.08768	7.7
389.10223	6.0
391.08124	33.1
397.09180	62.8
399.08603	1.8
401.10532	3.7
403.08011	23.9
405.09702	6.8
409.09174	43.5
415.10272	19.8
417.09512	2.3
419.11221	5.2
421.09146	21.9
427.10333	31.4
429.09723	2.0
433.09171	14.5
437.12283	1.7
439.10217	25.5
445.11270	34.5
447.10483	2.3
451.10214	34.8
457.11319	43.6
463.09930	6.5
469.11310	53.1
475.10434	11.7
481.11215	32.1
493.11267	33.2
499.12384	24.3
511.12384	46.7
512.13007	3.0
521.19403	2.8
529.13409	45.0
530.13544	1.8
547.14496	23.4
565.14648	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	565.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01869	5.0
57.03432	2.1
61.02922	1.6
61.56208	0.4
67.05509	2.2
68.99790	1.0
69.03428	9.6
69.87633	1.6
70.06594	0.4
71.01354	0.6
71.04980	2.0
73.02916	2.5
77.50841	0.4
79.05499	0.9
81.03417	12.2
81.07072	0.8
83.01305	0.5
84.08128	0.9
85.02901	21.5
86.09689	0.6
87.00825	8.8
88.26322	0.4
91.03932	0.9
91.05485	1.0
93.07021	0.7
95.04958	5.0
95.08589	0.8
97.02889	7.2
98.90766	0.4
99.04448	5.2
103.05445	1.2
105.01866	5.7
105.07035	0.8
107.04948	1.1
109.02878	8.5
117.01853	1.4
117.07024	0.6
119.08569	0.5
121.06467	0.7
123.04424	59.5
127.03904	14.2
129.01842	1.7
129.06961	0.5
131.04927	1.5
133.06430	0.5
135.04344	0.6
137.05956	1.1
141.05463	3.8
145.04964	5.2
147.02815	1.0
147.04401	1.3
149.05968	2.3
151.07524	1.3
153.05446	1.5
159.02913	7.0
159.04318	1.1
165.05505	1.6
167.03413	4.4
167.07007	2.7
173.05981	1.3
177.05452	3.5
178.06244	1.3
179.07076	0.6
189.05518	1.1
193.04962	2.9
195.06516	20.9
201.05406	1.0
207.06523	16.9
213.03836	0.6
221.05984	0.5
231.04958	1.6
253.08633	0.8
265.08383	0.6
271.09653	1.1
281.08249	0.5
299.09128	60.3
300.09650	0.7
309.74896	0.5
311.09219	2.3
317.10178	100.0
318.10431	0.7
321.62631	0.4
329.10098	0.6
337.10638	1.1
341.10181	3.8
359.11212	2.9
365.10190	0.6
383.11139	1.9
407.11105	2.6
425.12366	3.4
511.12311	1.0
529.12640	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	565.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01868	5.1
60.04517	1.9
61.02927	3.1
65.03928	2.1
69.03429	1.5
70.06594	14.5
70.60557	4.4
72.08144	6.7
73.02893	1.7
74.06028	1.4
79.00583	1.6
81.03424	2.2
84.04488	4.1
84.08134	5.5
85.02901	5.0
86.06055	1.4
86.09706	10.8
90.21861	1.4
91.05465	3.0
103.03916	2.2
105.03440	1.8
107.04950	5.4
109.02841	1.7
110.07165	4.9
119.04931	8.2
120.08109	5.6
121.02016	2.5
121.02859	37.5
121.06530	1.7
123.22588	1.3
129.10225	5.7
135.04405	4.4
136.07585	4.4
141.10274	1.5
143.58015	1.5
145.02850	5.8
147.04373	2.8
149.05943	2.2
159.04327	1.5
161.06047	2.0
163.03905	2.9
167.07104	1.5
176.01210	1.5
177.05438	2.5
179.03281	1.8
181.04938	2.2
187.03915	3.0
189.01819	5.8
189.05446	2.3
191.03383	4.7
195.02899	8.7
199.03940	2.1
203.03395	10.8
205.04927	2.2
207.02827	7.1
215.03355	5.2
217.04955	5.4
219.02863	6.0
221.04483	4.1
227.03357	2.8
229.04932	1.9
231.02802	2.2
233.04428	3.6
240.13844	1.4
245.04359	3.8
245.54184	1.4
251.07086	1.6
273.03992	2.0
279.06519	1.9
280.07248	2.4
281.08084	5.0
283.05844	6.8
284.06851	1.9
291.06479	3.0
292.07248	2.3
293.08105	3.5
294.05197	15.6
295.05988	62.0
295.09387	3.6
296.06802	3.9
297.07617	5.2
305.08105	4.7
306.08820	2.0
307.06046	40.5
307.09451	2.9
308.06750	14.5
309.04150	2.4
309.07568	16.1
313.07092	3.5
317.06445	10.8
319.05969	5.5
320.06747	7.2
321.07547	37.6
322.08310	7.3
323.05624	1.9
323.09052	7.5
325.07062	54.6
326.07849	1.8
329.08038	3.9
333.07571	18.8
334.08347	4.2
335.05630	1.2
335.09210	22.0
336.06235	3.9
337.07040	51.2
339.08826	3.8
345.07587	14.1
347.09088	5.6
349.07031	35.7
351.08569	17.0
355.08096	10.7
359.09021	3.1
361.07071	21.6
361.11081	1.7
362.07602	2.8
363.08624	26.6
367.08084	6.8
371.08862	1.9
373.06848	11.9
375.08850	6.9
379.08109	57.3
387.08759	5.0
391.03119	3.2
391.08112	58.8
399.08932	2.5
401.10181	3.3
403.08066	6.6
409.09192	93.2
415.07928	6.6
417.09732	3.3
421.08951	6.4
427.10266	100.0
433.09171	10.7
439.10040	4.2
445.09433	5.5
457.11121	9.7
463.10107	7.3
475.11365	8.6
481.11243	24.7
487.12839	1.5
493.11252	16.8
499.12238	15.6
511.12317	67.0
512.12427	2.3
517.49817	1.8
529.13336	25.8
547.14325	8.2
565.15833	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	565.1185
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01863	0.1
55.05499	0.1
56.05019	0.1
57.03440	0.1
63.62221	0.1
65.03939	0.3
66.39588	0.1
67.05496	0.1
68.99791	0.2
69.03420	0.7
69.07056	0.1
70.06589	0.7
71.57790	0.1
72.08150	0.6
73.02912	0.1
74.06060	0.1
77.51907	0.1
79.05484	0.1
80.03522	0.1
81.03405	0.7
81.07045	0.1
84.04494	0.3
84.08135	0.3
85.02897	0.9
86.09701	1.7
87.00829	0.2
87.05553	0.1
87.10022	0.2
88.03955	0.1
89.03896	0.1
91.05460	0.2
92.02612	1.0
93.03404	1.2
93.07038	0.1
95.04946	0.1
97.02892	0.4
99.04440	0.2
103.05467	0.1
104.05283	0.1
105.01880	0.2
105.07013	0.2
107.04938	0.1
109.02872	0.8
109.06495	0.1
110.07159	0.2
111.00832	0.3
112.08710	0.1
117.03374	0.3
119.04939	0.2
120.08093	2.1
121.02867	1.2
121.06526	0.2
121.08427	0.3
122.03645	0.1
123.04429	0.1
123.61726	0.1
126.03124	0.4
127.03902	1.2
127.08650	0.1
129.10226	0.2
131.04930	0.2
133.02849	0.2
135.04417	0.3
136.07585	0.2
137.02283	0.5
137.05951	0.4
139.03891	1.1
143.11807	0.4
145.02821	0.7
145.04930	0.3
145.06479	0.1
147.04401	0.2
149.05969	0.2
150.03069	0.1
151.03893	1.6
151.05000	0.1
152.06964	0.1
153.01819	8.5
155.04842	0.1
159.02827	0.2
159.09175	0.1
161.05992	0.1
163.03893	0.3
165.01796	0.8
165.05571	0.1
166.02597	0.1
167.07021	0.3
170.02113	0.1
171.02931	0.1
171.11304	0.3
173.05983	0.3
175.03896	0.2
175.07570	0.1
176.04662	0.1
177.01932	0.1
177.05460	2.0
181.04875	0.3
183.02975	0.2
183.04381	0.1
186.12364	0.2
187.03877	0.2
187.05956	0.1
187.07407	0.1
188.07117	0.1
191.07036	0.1
200.04660	0.3
201.05493	1.1
203.03331	0.5
205.05008	0.2
207.06458	0.2
209.08035	0.2
211.73955	0.1
213.03835	0.1
213.05618	0.1
217.04945	0.9
218.05733	0.8
219.02908	0.3
228.04146	1.6
229.04939	3.7
231.02983	0.3
231.04875	0.1
232.03773	0.1
233.04468	0.1
233.16479	0.3
234.16724	0.2
239.03355	0.1
243.06456	0.2
245.04420	1.4
246.05238	1.7
247.02386	0.1
256.03665	0.3
257.04419	2.6
258.05066	0.2
259.02121	0.1
260.03137	0.5
261.07477	0.3
261.16174	0.1
262.16397	0.1
271.06036	0.4
273.03940	2.0
274.04718	4.9
275.05112	0.2
284.03259	0.4
285.03909	4.8
286.04565	0.2
287.01950	0.1
288.06180	0.2
299.05264	0.1
301.03476	0.2
302.04193	14.6
303.04599	0.2
317.06525	100.0
318.06888	1.9
318.18085	0.2
319.18213	0.1
352.16672	0.2
359.07559	0.2
479.11783	1.3
521.12305	0.1
535.19470	0.1
565.11810	1.7
565.20184	0.1
565.30438	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01871	5.5
57.03428	2.3
61.02915	1.7
66.77506	0.9
67.05505	4.9
68.99794	1.9
69.03429	10.7
69.18661	7.7
70.06587	3.4
71.04975	1.0
72.08163	1.9
73.02910	2.2
79.05492	2.2
81.03407	9.3
81.07056	1.0
81.20110	0.8
83.08580	0.9
84.04472	1.3
84.08125	1.1
85.02903	20.0
85.03388	1.6
85.06577	0.9
86.09695	2.9
87.00826	7.0
91.05486	2.9
93.07024	1.5
94.06527	0.7
95.04960	5.0
95.08604	1.6
96.76158	0.8
97.02879	7.6
99.04420	4.4
105.01871	5.1
105.07037	2.9
107.04955	3.8
109.02876	7.2
110.07189	1.3
111.08099	1.0
117.01840	2.0
119.04931	0.8
120.08110	1.8
121.06486	2.3
123.04422	51.4
127.03915	10.9
129.01828	1.8
131.04941	1.5
133.02837	0.8
133.06487	1.0
137.05952	3.4
141.05473	3.8
145.02858	1.7
145.04950	4.1
145.06505	0.9
147.02882	1.0
147.04419	4.1
149.05981	3.6
151.07523	2.6
153.05376	1.1
159.02896	5.2
159.04131	0.8
160.05244	1.4
161.05992	1.6
163.07503	0.9
165.05486	2.9
167.03377	6.0
167.07008	5.9
173.05969	2.7
175.03883	0.9
177.04132	0.9
177.05443	5.1
179.06993	1.1
181.04953	2.2
184.07324	1.5
189.05478	1.7
193.04906	2.3
195.06517	29.3
195.08287	1.6
201.05487	2.3
207.06519	29.0
211.07552	1.4
228.20561	0.9
228.60823	0.8
231.04919	1.4
231.16397	1.1
243.10402	0.9
245.08022	1.0
299.09125	68.9
302.04230	0.9
311.08987	2.3
317.10172	100.0
318.10580	1.9
323.09103	1.5
337.10617	1.5
341.10187	7.5
359.11163	2.2
365.10260	2.4
383.11224	3.2
407.11151	4.7
425.12125	2.3
511.12320	1.0
565.20544	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	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
55.05492	8.1
57.03422	6.4
57.45209	4.2
63.29204	3.5
65.69501	4.1
67.05501	29.6
69.07069	16.9
70.06582	8.4
71.01659	8.9
73.44617	3.5
79.05493	26.0
81.03416	8.4
81.07048	61.9
83.04952	6.3
83.08593	13.0
85.02888	5.8
86.09689	8.3
91.05476	25.0
91.53532	3.3
93.07036	21.7
95.04953	10.8
95.08617	19.5
97.06519	9.5
105.07009	21.0
107.04962	7.2
107.08577	12.3
109.06493	23.6
109.10165	6.9
117.06992	6.5
119.08561	13.3
121.06523	6.2
121.10134	8.3
131.08543	8.6
133.10107	14.7
135.08006	3.5
135.11699	8.8
145.02722	3.8
145.10054	11.8
147.11649	10.9
149.05910	4.2
149.09645	4.8
149.13231	6.3
150.69839	3.6
159.11682	7.3
163.11209	5.7
173.13292	5.7
255.08992	8.7
275.20081	37.9
286.57474	3.4
293.20975	6.6
326.10175	35.2
349.23682	73.4
354.09671	6.0
363.79364	5.1
367.24765	100.0
393.14590	4.2
401.38040	3.8
406.03360	3.9
437.98203	3.7
564.18665	53.9
565.18768	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	565.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62926	0.2
53.03948	2.4
55.01875	1.6
55.05503	0.5
56.05032	0.2
57.03429	1.3
59.98512	0.2
61.02904	1.0
68.99781	0.8
69.03426	7.3
69.07084	0.3
70.06584	3.6
70.86791	0.5
70.87160	0.4
71.01338	0.3
71.04977	1.0
72.08140	1.2
73.02919	1.3
81.03418	8.3
84.04504	0.6
84.08133	0.9
85.02903	11.7
86.09708	3.1
87.00318	0.3
87.00826	5.6
91.03917	0.7
91.05477	0.3
92.02619	0.8
93.03400	0.7
97.02877	3.8
99.04465	2.6
100.11255	0.3
101.02361	0.3
105.01865	3.2
107.04945	0.8
109.02878	7.1
110.07116	0.5
112.08678	0.3
115.04001	0.2
117.01861	1.2
117.03334	0.2
119.04958	0.2
120.08116	1.1
121.02855	0.8
123.04395	0.3
125.05939	0.3
126.03110	0.5
126.64877	0.2
127.02969	0.5
127.03909	9.1
129.01836	0.7
129.10219	0.7
134.05984	0.4
135.04399	0.9
136.07570	0.3
137.02385	0.3
137.05948	0.4
139.03905	0.8
145.02823	0.7
145.04951	2.4
147.02823	0.5
149.06009	0.3
151.03886	0.8
152.07066	2.6
153.01819	6.5
153.03021	0.4
153.05444	0.5
153.07378	0.9
157.90901	0.2
159.02896	4.9
159.09117	0.3
163.03868	0.5
165.01817	0.6
167.07033	0.7
177.05458	1.1
179.03329	0.3
191.93614	0.2
194.15163	0.2
201.05508	0.5
203.03308	0.6
213.03789	0.3
217.05025	0.6
218.05766	0.8
228.04233	1.4
228.06117	0.2
229.04941	2.5
231.02893	0.5
231.04982	1.5
243.06529	0.2
245.04428	1.0
246.05217	1.9
257.04443	2.7
273.03918	1.8
274.04733	3.6
284.03113	0.4
285.03888	4.4
302.04205	12.3
317.06546	100.0
318.06927	2.2
359.07465	0.3
565.19537	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	563.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01870	1.6
57.03421	0.4
62.28664	0.2
65.83854	0.2
68.99769	0.3
69.03438	2.3
69.59150	1.4
71.04981	0.2
77.03931	0.2
79.05491	3.9
81.03411	2.4
85.02897	2.2
87.00833	1.6
91.05481	1.3
95.04971	1.8
97.02887	1.6
98.21497	0.4
99.04466	0.6
105.01851	0.7
105.07015	1.1
107.04949	51.0
108.05284	0.7
109.02881	1.4
113.90176	0.2
115.05450	0.5
117.01877	0.3
119.04939	0.6
121.06472	0.3
127.03920	1.6
131.04903	1.3
133.06477	1.2
137.05945	0.4
144.05707	0.2
145.04977	0.3
145.06465	0.4
149.05977	0.3
151.07547	1.1
153.05414	0.2
153.09088	0.3
155.07018	2.1
157.06439	0.2
159.02934	0.7
161.06007	0.6
163.03857	0.3
163.07513	0.2
165.05518	0.5
165.09138	0.8
166.02600	1.0
167.07002	0.5
175.07481	0.2
176.04716	0.3
177.05498	0.9
178.06258	0.5
179.07002	1.4
181.04938	3.9
181.08578	2.3
184.03647	1.2
191.07034	2.0
192.04109	0.9
193.08577	0.4
194.05727	4.0
205.06511	0.3
206.05737	3.5
207.06509	5.4
208.07214	0.3
209.08084	38.2
210.08414	0.9
221.08080	31.6
222.08478	0.8
231.05087	0.2
237.09073	0.3
250.06201	0.2
253.08633	0.3
265.08566	0.6
269.11755	0.3
281.08047	0.6
282.08667	1.1
297.11206	60.4
298.11472	1.9
315.12244	100.0
316.12589	2.7
413.83310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03936	1.0
55.01872	0.5
56.05032	0.3
57.03421	0.7
58.60410	0.2
61.02919	0.5
63.02348	0.2
65.03962	0.2
67.05470	0.3
68.99798	0.6
69.03425	3.0
70.06593	4.2
71.04980	0.3
71.60058	0.3
72.08150	1.5
73.02889	0.7
73.70921	0.2
77.03944	0.3
81.03419	3.0
83.57473	0.2
84.04498	1.0
84.08128	1.2
85.02903	7.2
86.09698	2.4
87.00820	1.9
89.03916	3.4
91.05479	4.7
92.26041	0.2
93.07045	5.7
95.04969	1.3
97.02891	2.1
99.04447	1.2
102.05487	0.4
103.05465	4.3
104.05310	0.3
105.01864	1.8
105.04491	0.3
107.04967	0.4
109.02886	3.4
110.07168	0.8
117.03378	12.5
119.04917	2.3
120.08108	1.1
121.06503	33.3
122.06801	0.4
127.02979	0.3
127.03917	6.5
129.01854	0.3
129.10246	1.1
130.05025	0.3
134.03636	0.7
135.04434	1.5
136.05206	0.5
136.07559	0.5
137.05997	0.6
137.63947	0.2
141.89633	0.2
145.02843	44.1
145.04932	2.1
146.03197	0.3
147.04405	8.0
149.05972	4.3
151.07530	1.8
152.07135	0.3
153.44626	0.2
159.02911	1.5
159.04123	0.2
162.03079	0.6
163.03929	0.8
164.07054	1.8
168.10185	0.3
177.05466	100.0
178.05821	1.1
178.98648	0.2
186.05446	1.5
194.08145	1.0
196.36021	0.2
196.51176	0.2
197.12975	0.3
199.07527	0.3
231.04929	2.2
249.05956	0.3
257.08084	0.3
261.07663	0.6
285.07544	0.3
314.13861	53.7
315.08649	0.7
315.14197	1.1
320.70538	0.3
356.14752	0.3
416.15521	0.3
529.14551	0.3
562.19299	0.8
562.32129	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	562.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.05514	5.6
57.03426	3.0
57.07074	2.0
59.60822	0.9
61.89826	0.9
67.05515	7.8
69.07065	9.9
71.04977	1.4
79.05498	5.5
81.07050	13.8
83.04967	2.5
83.08617	3.1
85.06523	2.4
91.05453	4.2
93.07038	8.3
95.04966	1.8
95.08595	11.0
96.78564	1.0
97.06527	4.9
99.08052	1.0
105.07011	4.2
107.08582	9.5
109.06532	6.1
109.10140	4.0
111.04443	3.0
113.60390	1.1
117.07011	1.4
119.08585	2.9
121.10128	3.6
123.08067	6.0
123.11684	1.5
125.06020	2.1
131.08571	1.1
133.10121	3.3
134.69675	0.9
135.08040	5.3
135.11635	5.1
137.05923	7.7
137.09657	1.3
137.13249	1.7
145.10121	3.2
147.11684	3.5
149.09616	1.4
151.07559	4.3
151.11162	2.0
152.08240	1.2
161.13217	1.5
165.09114	5.4
165.12752	4.0
172.89108	1.0
177.12799	2.5
179.10744	1.6
179.14343	2.1
181.12215	2.1
193.12260	1.7
195.13713	0.9
204.39223	1.0
208.14671	1.1
208.16934	4.3
221.15405	1.7
221.19072	1.9
235.20457	1.3
247.72453	1.0
249.18523	1.3
253.14308	1.7
257.17447	3.2
263.20108	3.7
287.23807	1.1
305.21289	2.1
305.24695	21.2
319.26239	8.0
319.70276	1.2
329.24951	1.2
347.25793	58.4
355.67950	1.1
365.26871	19.2
390.30069	2.3
393.30179	2.8
421.29471	100.0
422.30045	1.9
439.30505	9.8
501.25964	2.8
519.27148	5.6
562.31299	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
54.36402	4.3
55.01870	5.4
55.05503	15.6
57.03443	9.1
59.05001	7.1
61.36043	4.3
67.05505	53.1
69.03426	9.6
69.07063	9.5
70.06591	9.3
71.51543	8.3
71.51915	5.2
79.05495	29.0
81.03410	16.0
81.07060	64.9
83.04971	13.1
83.08615	11.4
85.02905	6.5
85.06536	4.7
89.05470	4.5
91.05477	50.7
93.07050	31.4
95.04971	19.9
95.08601	16.5
97.06519	5.7
105.07014	37.3
107.04972	8.4
107.08575	37.5
109.06527	6.9
109.10155	50.5
115.31286	4.3
116.50153	4.9
117.07006	7.5
119.08580	14.4
121.06564	6.8
121.10130	5.8
123.11713	8.8
129.07025	7.1
131.08542	13.8
133.06471	6.3
133.10124	67.9
149.09592	9.1
151.11194	32.9
151.33801	5.1
157.10141	7.2
169.12338	6.1
193.12273	8.2
253.14351	99.8
267.15961	10.4
271.15424	18.0
273.18533	18.0
285.16959	10.2
291.19565	21.6
347.22131	8.4
365.23270	100.0
408.92746	5.2
433.42944	4.7
477.28363	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25972	3.3
55.01862	8.5
55.05502	16.8
57.03425	9.8
67.05509	18.8
67.05811	3.0
69.03413	9.0
69.07066	23.0
69.34526	28.2
69.34937	8.1
79.05503	25.5
81.03425	21.1
81.07053	21.7
83.04956	5.9
83.08608	11.3
85.02894	4.0
87.46425	3.0
91.05471	18.2
93.07030	14.9
95.04961	13.3
95.08598	9.0
97.02885	8.0
97.06502	4.0
97.10173	15.6
102.47405	3.1
105.07002	9.8
107.04958	7.6
107.08596	12.4
109.06524	3.8
109.10143	5.2
113.72076	3.6
117.07002	5.8
119.08570	15.1
121.10157	5.0
123.08083	3.4
125.09661	9.0
129.06949	4.7
131.08580	8.7
133.10153	4.4
135.08046	6.3
135.11702	4.6
137.09584	3.7
145.10188	5.4
147.08038	5.0
147.11589	3.7
149.09604	3.0
159.11794	4.9
161.09586	4.4
165.09026	4.3
175.11188	7.6
189.11150	4.1
193.12254	12.3
211.13264	7.3
223.13318	17.2
227.12689	9.0
236.63110	3.6
267.15860	15.3
273.18457	9.3
285.17062	9.2
291.19531	91.6
365.23230	100.0
455.04141	3.6
459.27362	9.8
477.28342	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	563.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
53.41111	0.6
55.01867	1.3
56.70860	0.6
57.03432	1.6
61.02897	0.8
67.05488	1.4
68.99780	1.1
69.03421	5.5
69.07047	0.8
70.06580	2.5
71.04965	1.1
71.27254	1.6
72.08141	0.8
73.02905	0.9
77.64404	0.6
78.16897	0.6
79.05489	1.2
81.03425	7.3
81.07034	1.1
84.08144	1.4
85.02423	1.2
85.02901	9.2
85.53226	0.6
86.09678	0.8
86.27663	0.7
87.00832	4.6
91.05479	1.6
93.06996	0.9
95.04929	0.9
95.08607	1.8
97.02873	2.8
99.04442	2.6
105.01867	2.6
105.07075	1.1
109.02884	5.7
109.10163	1.0
110.36205	0.7
117.01828	1.0
117.07038	0.7
118.04157	1.2
119.08541	1.3
121.06477	1.9
121.21068	0.7
123.04439	2.7
127.03923	8.5
135.04408	0.9
145.04961	3.3
149.05931	1.5
151.03864	1.2
154.06317	0.8
159.02873	4.1
167.03381	0.8
174.13722	0.7
177.05489	12.2
179.03459	0.6
183.61411	0.9
193.04985	4.0
205.04955	61.5
214.17154	0.8
223.03923	1.5
223.06004	21.0
231.05026	1.2
243.93352	0.7
244.07147	1.0
246.07629	1.6
272.06842	2.3
300.06326	2.3
315.08612	100.0
316.08987	2.6
387.65540	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	563.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03941	1.2
55.01861	1.4
57.03421	0.3
57.65298	0.2
61.02914	0.2
68.99796	0.2
69.03087	0.2
69.03429	2.1
69.66264	1.2
70.06575	0.4
70.72101	0.2
71.04974	0.2
72.08145	0.2
73.02905	0.3
73.40186	0.2
77.03919	0.3
79.05487	4.3
79.92011	0.2
81.03413	2.6
85.02898	2.4
86.09691	0.2
87.00820	1.5
88.48536	0.2
91.05475	1.4
95.04957	1.6
97.02882	1.3
99.04430	0.6
103.05436	0.2
105.01860	0.4
105.04530	0.4
105.07043	0.9
107.04945	48.8
108.05270	0.5
109.02887	1.4
115.05442	0.3
117.06987	0.5
119.04910	0.8
120.08069	0.2
121.06501	0.6
127.03905	1.3
129.06964	0.2
131.04901	1.3
133.06505	1.1
137.05963	0.3
139.07500	0.2
144.05644	0.2
145.04932	0.5
145.06470	0.4
149.05968	0.5
151.07491	1.4
153.05434	0.2
155.07030	2.3
157.06456	0.3
159.02884	0.7
161.05960	0.8
163.03795	0.2
163.07536	0.6
165.05446	0.7
165.09096	0.7
166.02559	0.9
167.03265	0.2
167.06981	0.5
175.07472	0.2
176.04729	0.2
177.05460	0.9
178.06232	0.5
179.07089	1.1
181.04929	4.1
181.08536	2.2
184.03679	1.1
191.03403	0.2
191.07030	2.0
192.04111	1.0
192.07088	0.2
193.04985	0.2
193.08553	0.3
194.05734	4.3
194.07391	0.3
205.06531	0.3
206.05705	4.2
206.07582	0.2
207.06512	4.9
207.08409	0.3
208.07249	0.3
209.08073	36.9
210.08452	0.4
221.08070	30.3
222.06528	0.3
222.08479	0.5
223.07231	0.2
237.09097	0.6
253.08418	0.2
265.08627	0.6
267.06451	0.3
269.11685	0.3
281.08066	0.7
282.08759	1.2
297.11188	57.9
298.11487	1.2
315.12231	100.0
316.12573	2.6
339.12341	0.2
347.14435	0.2
450.25583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01859	0.7
57.03421	0.7
61.02920	0.9
63.02400	0.6
67.05524	0.6
69.03433	3.5
69.89318	3.1
70.06595	5.9
72.08154	1.0
73.02905	0.8
75.41029	0.6
81.03407	2.4
84.08128	0.8
85.02905	6.1
86.09705	4.2
87.00822	2.2
88.92813	0.5
89.03904	3.6
91.05478	5.0
93.07040	4.7
95.04972	1.6
97.02871	1.8
98.20834	1.0
99.04456	0.9
103.05468	3.9
105.01871	1.7
107.04955	1.1
109.02900	3.8
110.07142	0.8
117.02539	0.6
117.03371	13.6
119.04918	1.8
120.08086	2.0
121.06500	33.9
127.03922	5.7
129.10306	0.6
134.03563	0.8
135.04398	1.4
136.07603	0.7
137.05971	0.8
145.02847	47.9
145.04922	2.3
146.03093	0.5
147.04395	7.9
149.05991	4.4
152.07056	2.4
153.07437	0.8
159.02924	1.2
162.03140	1.7
163.03934	0.6
164.07085	0.9
175.86050	0.6
177.05467	100.0
178.05904	1.1
186.05458	0.9
194.08087	0.7
196.79480	0.5
217.13316	0.8
231.04877	1.6
244.45401	0.6
314.13855	66.7
315.14038	2.7
355.37140	0.6
386.14584	0.8
562.20258	0.7
562.31140	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	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01875	2.7
55.05513	21.9
57.03417	3.4
57.07091	3.5
61.02950	2.0
65.03942	4.5
65.88023	1.9
67.05502	92.5
69.07072	23.6
71.04996	55.5
79.05489	68.1
80.05801	2.1
81.07053	100.0
83.04990	9.7
83.08617	12.0
85.06544	7.0
88.17910	1.8
91.05481	67.2
93.07039	67.3
95.03575	2.0
95.04990	10.1
95.08600	40.7
97.06546	9.6
97.10208	3.0
98.21561	3.3
105.04525	2.3
105.07026	37.0
107.08595	41.8
109.06499	4.6
109.10158	23.5
115.05471	2.1
117.07012	12.5
119.08575	14.4
121.10140	23.0
122.64307	2.1
123.11694	15.4
125.09587	2.3
129.07050	2.5
131.08559	16.9
133.10129	27.5
134.21800	2.3
135.11673	17.0
145.10139	6.8
147.11734	5.5
149.13257	14.1
151.11171	16.8
157.10106	2.6
159.11685	12.1
161.13258	4.4
173.13297	5.0
175.14853	2.5
177.12833	6.8
179.14491	2.2
181.16017	2.5
183.13780	21.2
195.13919	7.5
201.16435	2.7
229.64626	2.7
243.21123	2.9
257.17578	2.8
261.22134	5.3
269.17496	4.1
283.19333	4.1
285.16974	4.9
304.30389	2.3
335.00641	2.3
361.27466	4.4
363.25296	4.6
517.38824	30.5
529.38965	9.3
561.41339	84.1
562.42126	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	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.0
53.03940	5.3
55.01857	1.7
55.05271	2.0
55.05510	21.2
55.77719	1.5
57.03439	3.9
57.07071	3.3
65.03945	5.8
67.05502	88.4
69.03432	2.8
69.07065	19.9
69.30794	12.1
71.04988	53.0
71.88667	1.6
79.05491	62.4
81.03435	2.3
81.07052	100.0
83.04995	10.0
83.08626	10.1
85.06546	6.2
91.04907	2.9
91.05479	57.6
93.07039	61.5
94.01359	1.4
95.04967	8.4
95.07996	3.0
95.08601	44.5
95.09183	3.1
97.06538	8.1
97.10194	4.7
98.21564	3.0
99.08118	2.9
105.07021	37.8
107.08585	39.9
109.06519	4.4
109.10170	16.6
111.08107	3.4
117.07017	11.6
119.08586	17.2
121.06588	2.3
121.10141	22.4
123.11729	16.2
125.09606	3.0
129.07072	3.2
131.08572	18.6
133.10124	32.6
135.08115	1.7
135.11676	18.1
137.09605	1.8
137.13316	1.9
139.11211	2.0
143.08574	3.0
145.10126	11.5
147.11664	8.0
149.13255	13.2
151.11171	10.3
155.08626	2.2
157.10170	4.3
159.11679	12.4
159.43622	1.4
161.13318	6.1
163.11191	3.2
163.14874	2.1
167.14308	1.7
167.57320	1.5
169.10168	1.7
169.12267	1.8
171.11662	2.4
173.13301	5.0
175.14871	2.7
177.12807	3.0
183.12256	2.5
183.13857	11.5
185.13234	1.8
187.13269	2.6
187.14867	3.5
195.13838	3.5
197.13341	1.5
199.14769	1.8
227.12875	4.1
227.16490	2.3
261.22275	5.6
269.17529	3.0
285.16989	2.8
317.24783	1.5
335.25867	3.1
361.27759	2.1
455.35446	1.7
511.37952	3.8
517.38953	22.5
517.46063	2.5
529.38818	30.2
529.46198	2.5
536.57977	1.7
543.36859	2.1
561.41528	61.3
562.41510	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	562.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
69.03419	2.2
70.06591	3.9
70.86161	2.0
72.08140	2.1
81.03418	3.8
81.42690	0.6
84.04492	1.4
84.08128	2.1
85.02905	1.4
86.09686	2.2
87.05611	0.8
91.05468	1.6
95.01312	4.1
97.02880	5.4
102.05513	0.8
103.05452	1.0
107.04928	1.4
110.07162	1.4
113.02357	2.4
115.05452	4.7
117.51939	0.7
120.08085	0.9
120.89400	0.6
121.59746	0.6
123.00787	4.3
123.04408	2.8
125.02336	5.0
129.10197	1.6
131.04865	1.0
137.05945	2.4
140.04628	0.9
141.01773	1.4
143.04919	11.3
145.02832	1.9
146.05971	0.7
147.04381	1.9
149.05975	2.0
153.05429	1.1
154.26736	0.6
161.05972	16.6
162.05434	1.6
163.03889	1.4
164.07062	27.5
165.07239	0.7
167.07027	18.2
169.01326	1.3
177.05437	4.9
178.08751	0.8
179.08580	2.6
181.04945	1.6
181.08563	1.1
183.08139	0.6
187.03871	1.6
189.07004	2.8
191.06955	0.7
195.07957	0.7
205.06529	3.2
206.07330	1.7
207.06416	0.6
207.08061	8.4
210.06592	1.0
217.06444	1.9
219.68651	0.7
220.05212	2.0
221.05975	3.2
222.07567	1.0
223.07527	2.7
224.08710	0.9
225.09251	1.2
226.06233	1.1
233.05901	2.0
234.06772	6.6
234.08989	1.1
235.07520	18.2
237.05458	1.8
238.06270	4.4
239.07057	0.7
245.06015	1.5
248.04688	0.9
249.05504	3.6
250.06242	0.8
250.08630	1.4
251.07048	4.1
251.09398	1.1
252.07748	4.9
253.08594	5.9
255.06604	0.9
262.06219	24.5
262.08655	2.3
263.07016	23.5
264.07538	0.7
265.04935	5.0
265.07465	2.2
266.05731	4.1
266.08203	1.2
267.06485	1.7
267.10135	1.8
269.08112	1.1
277.04877	1.3
277.08362	0.9
277.16129	0.6
278.08209	1.4
279.06506	4.9
279.09012	1.7
280.07138	6.5
280.09744	4.0
281.08035	13.5
282.08368	2.6
283.05960	2.0
283.09506	1.8
290.05713	5.0
291.03564	1.0
291.06442	4.9
293.03958	0.7
293.06927	1.5
294.05099	2.2
294.07922	3.8
295.06003	2.1
295.09647	4.8
297.07370	1.2
298.08337	4.4
300.08456	0.7
306.07956	0.8
307.08426	2.8
308.06448	12.7
308.09229	2.5
309.07300	10.9
310.07532	3.0
311.05582	2.2
312.09882	1.2
313.10681	13.5
314.10596	1.1
315.12274	12.5
323.09113	34.9
324.08783	2.5
325.09628	4.7
326.07800	8.3
329.10269	1.1
330.13309	3.4
332.14923	13.3
340.11783	21.7
341.10165	60.2
342.10461	1.3
344.45132	0.6
358.12830	100.0
359.12955	2.1
376.13907	38.8
377.14218	0.8
414.41599	0.7
562.15161	0.8
563.48260	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01866	8.7
55.05504	42.6
57.03436	10.5
57.07084	2.9
58.73279	2.7
65.03936	4.1
67.05502	100.0
69.03406	3.3
69.07069	33.9
69.38515	4.9
69.38915	21.8
71.05012	12.6
79.05486	71.3
80.80486	2.9
81.03412	7.4
81.07050	95.6
83.04970	16.1
83.08614	22.2
85.06528	5.7
85.77334	2.9
91.04912	3.9
91.05470	63.3
93.07034	74.7
95.04980	15.5
95.08598	55.5
95.09189	5.0
97.02888	2.8
97.06523	12.6
97.10181	8.7
98.21481	4.3
103.05451	3.7
105.07017	50.6
107.04959	7.8
107.08594	47.2
109.06536	6.4
109.10156	37.0
111.04441	12.3
111.08078	11.3
115.05452	3.9
117.07008	22.8
119.08571	42.8
121.06500	6.6
121.10137	36.2
123.04484	2.7
123.08074	8.8
123.11691	7.7
125.09632	8.6
128.06239	3.2
129.07028	11.0
131.08571	33.3
133.06540	3.5
133.10129	37.9
135.08047	10.9
135.11699	25.7
137.09599	6.1
141.06978	5.0
143.08554	10.5
145.06500	4.8
145.10115	27.4
147.08043	5.5
147.11665	17.5
149.09618	8.8
149.13261	7.8
151.11168	9.1
153.12683	4.9
155.08554	8.3
157.10138	14.0
159.08034	5.0
159.11673	21.3
161.09610	6.3
161.13266	9.5
163.11195	25.0
169.10117	5.6
171.11679	12.0
173.09604	6.0
173.11813	3.2
173.13269	8.7
175.11143	4.1
175.14873	5.0
181.12251	11.2
183.11720	4.7
185.13237	12.6
187.14751	4.6
189.12715	4.7
191.10678	10.8
191.14348	3.1
195.11601	3.8
195.14117	3.0
197.13177	5.3
199.14838	5.2
201.12663	2.7
209.11664	26.8
209.13347	3.0
216.82820	2.9
227.12642	14.8
229.14311	7.0
253.14384	3.4
256.98575	2.7
261.22092	10.8
271.20392	4.0
273.22165	8.4
274.24847	3.1
275.20007	3.3
277.21671	4.3
283.15347	15.5
299.23734	4.8
301.21539	6.5
312.60388	3.5
315.23148	15.0
317.21051	4.2
329.24875	3.2
335.25647	3.5
373.23630	6.3
389.26685	4.4
423.32291	4.0
433.31046	9.7
451.31937	18.7
469.33191	18.4
472.29739	2.7
487.34149	11.2
525.35803	19.3
543.36761	82.8
561.37891	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	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01865	5.1
55.05515	15.8
57.03429	6.9
57.07079	2.6
65.03924	3.4
67.05505	52.4
69.07067	13.6
70.19199	5.8
70.19620	3.6
71.04996	4.6
74.72269	1.6
79.05492	44.0
81.03413	3.3
81.06665	1.2
81.07053	53.9
83.04986	5.1
83.08639	8.7
91.05479	17.0
93.07043	61.1
95.04951	9.3
95.08606	64.8
96.04407	1.7
97.02910	3.8
97.06519	5.5
97.10201	3.0
98.20705	1.8
99.04430	4.2
105.07016	14.9
107.04945	7.7
107.08599	42.4
109.06488	3.4
109.10136	15.0
111.04511	2.2
117.07010	11.8
119.08590	17.8
121.06495	7.0
121.10133	22.4
123.11740	5.6
128.06319	2.2
131.08574	8.2
133.10153	9.5
135.11691	55.7
137.13220	3.3
139.07477	2.7
145.10121	31.2
147.11711	4.4
149.09656	2.3
149.13252	7.8
157.09998	2.1
159.11711	4.4
159.22427	1.8
161.13275	4.5
163.11182	51.8
163.14809	3.5
173.13287	4.9
175.14854	2.2
181.12242	10.0
187.13281	2.3
187.14861	4.3
209.11646	2.1
227.12776	100.0
243.21092	6.8
261.22131	24.9
279.23135	2.3
283.15381	43.8
294.00766	1.8
317.24704	7.6
322.45956	2.2
335.25793	54.9
469.33176	1.9
543.36871	33.8
561.38336	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01854	4.8
55.05507	25.6
57.03445	10.0
59.04995	2.5
65.03938	2.8
67.05502	100.0
67.99192	1.4
69.03417	2.4
69.07066	20.2
71.04993	11.0
79.05490	51.8
81.03404	3.8
81.07050	67.9
83.04964	6.1
83.08611	16.1
85.06536	3.3
91.05476	54.9
93.07038	61.1
95.04955	14.1
95.08600	44.8
97.02891	3.5
97.06548	8.1
97.10191	9.4
99.08080	3.8
104.10730	1.7
105.07023	45.8
107.05004	3.5
107.05652	1.6
107.08589	40.7
109.06510	11.0
109.10151	44.4
111.04439	7.0
111.08065	3.6
115.05466	2.6
117.07000	21.8
119.08582	37.3
121.06490	7.3
121.10139	25.3
123.08048	6.0
123.11694	8.2
125.09630	5.7
128.06160	2.3
129.06993	9.4
130.07799	2.0
130.94122	1.7
131.08553	27.2
133.06482	5.6
133.10124	36.2
135.08066	9.5
135.11674	16.5
137.09604	5.5
139.11125	2.7
141.07037	3.6
142.07816	2.5
143.08575	14.0
144.09251	1.8
145.06480	5.1
145.10120	27.7
147.08038	6.7
147.11687	19.3
149.09636	11.6
149.13283	9.0
151.11183	8.0
153.12755	2.6
155.08524	4.9
155.10574	2.3
157.06566	1.8
157.10114	12.1
157.11179	1.8
157.63419	1.8
159.08044	4.2
159.11714	19.2
161.09596	8.4
161.13231	12.0
163.11115	10.4
163.14848	1.9
167.08612	2.2
169.10114	7.3
171.11649	13.9
173.09586	5.2
173.11746	7.3
173.13274	12.3
175.11137	6.4
175.14815	4.3
177.12732	4.8
179.10626	2.5
179.14307	2.1
181.10098	1.8
183.11710	6.5
183.13821	2.3
185.13266	6.2
187.11168	5.1
187.14799	6.9
189.11159	2.1
189.12749	5.1
189.16371	2.2
195.11841	2.1
197.13263	6.0
199.11151	2.8
199.14792	3.9
201.12756	3.2
203.14250	4.2
206.50330	2.2
207.13741	2.3
209.11641	15.9
209.13217	1.8
211.14836	3.5
213.16441	2.2
215.14447	2.3
221.13243	2.2
221.15451	2.0
227.12746	5.9
227.16353	4.9
229.14296	15.2
253.14383	3.2
255.21210	3.0
257.19077	3.3
259.20532	2.3
261.22067	3.6
271.15439	3.0
271.20560	3.3
273.22144	12.5
275.20157	2.7
277.21603	3.0
283.15469	5.4
283.20471	3.8
289.21649	5.7
297.22147	2.6
299.20013	5.0
299.23401	1.8
301.21643	3.6
313.21594	2.6
315.23193	21.9
317.21213	10.1
327.23071	2.7
329.24527	3.1
331.22403	2.9
333.24240	3.4
335.25946	2.1
373.23715	12.5
375.25259	2.5
389.26840	5.4
391.24930	2.9
405.31421	2.2
433.30878	8.3
451.32166	10.3
469.33002	12.6
472.78067	1.8
487.34195	10.8
517.39136	3.2
520.38293	2.1
525.35663	18.4
543.36774	83.5
544.37189	3.5
561.19995	4.7
561.37762	56.2
581.62048	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.1
55.01860	6.5
55.05508	22.0
57.03425	7.1
57.07058	3.3
59.05003	1.7
65.03928	3.3
67.05502	89.8
69.03419	2.8
69.07065	23.0
69.87663	9.2
71.05003	8.4
71.05343	1.4
79.05490	42.7
80.96987	1.5
81.03422	2.9
81.07052	58.7
83.04975	9.1
83.08614	14.2
85.06526	4.7
91.05473	41.9
93.07040	49.4
95.04973	13.2
95.08598	37.0
97.06515	9.1
97.10157	7.2
99.08069	1.9
99.91924	1.5
105.07030	40.7
107.04899	4.9
107.08588	32.3
109.06506	10.4
109.10154	36.9
111.04435	6.0
111.08059	6.1
117.07024	15.1
119.07711	1.8
119.08576	30.5
121.06511	3.8
121.10153	19.5
123.04329	1.7
123.08026	6.1
123.11672	8.5
123.40251	1.6
125.05956	1.6
125.09636	4.8
128.06224	3.5
129.06981	8.3
131.04863	1.5
131.08560	27.6
133.06483	5.0
133.10117	38.3
135.08044	7.1
135.11671	20.1
137.09593	5.6
141.06943	2.3
141.36035	1.6
142.07814	2.4
143.08578	13.6
145.06477	2.7
145.10127	22.5
147.08049	6.6
147.11667	20.0
149.09599	8.5
149.13216	7.1
151.11154	5.8
155.08499	6.3
157.10127	14.1
159.08032	2.0
159.11674	15.8
161.09589	6.9
161.13239	9.4
163.11172	7.0
163.14815	2.1
167.10606	2.0
169.10138	6.8
171.08101	2.1
171.11618	10.5
173.09663	4.5
173.11716	5.8
173.13260	11.0
175.11186	6.3
175.14821	5.4
177.12805	2.0
181.12248	2.1
183.11678	4.9
185.09633	2.6
185.13240	7.1
187.11160	4.5
187.14818	7.1
189.12698	3.3
191.10638	1.9
193.12071	1.9
195.11682	3.9
197.13261	5.0
199.11256	2.1
199.14835	4.5
201.12721	3.0
203.14264	2.3
207.13795	2.5
209.11691	17.0
209.13403	1.8
211.14838	3.3
213.16388	2.3
223.14841	2.5
227.12733	5.7
229.14268	12.5
241.19588	3.2
253.14244	3.0
255.21127	1.8
257.19016	2.3
259.20685	2.6
261.22119	3.9
271.20602	3.7
273.22128	12.1
275.20038	3.2
277.21628	2.7
283.15375	4.2
283.20438	2.4
289.21628	4.8
291.23196	3.2
299.20078	6.5
299.23535	1.9
301.21436	4.0
315.23199	20.8
317.21011	5.9
317.24545	2.4
329.24539	2.7
331.22699	2.7
333.24359	2.6
335.25833	2.2
339.23157	1.9
345.24149	2.0
353.24878	1.7
371.26007	1.9
373.23672	11.2
389.26901	4.2
391.24832	5.6
433.30850	6.3
446.17773	1.7
451.31937	12.8
469.33163	16.4
487.34296	10.6
515.37207	3.6
525.35724	20.5
533.83386	1.8
543.36792	100.0
544.37683	2.2
561.37726	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	560.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	34.5
60.09298	16.6
67.05495	100.0
69.07072	30.8
71.51756	22.8
79.05464	57.6
81.03423	23.1
81.07037	61.0
86.09668	30.3
91.05489	32.3
93.07043	51.3
95.08591	85.6
98.98474	69.8
107.08614	46.6
109.10172	46.0
113.11740	16.2
115.52926	15.1
119.08489	25.3
121.10138	43.0
123.11761	17.3
124.99974	17.9
133.10149	24.6
135.11667	22.7
155.01073	60.2
171.65154	15.2
184.07384	48.4
187.67818	17.0
261.22198	48.8
329.80872	19.7
335.25909	18.8
337.27344	59.1
577.98755	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	561.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05485	1.6
57.14342	1.5
61.02903	1.5
65.03954	1.3
65.15290	1.3
67.05484	2.9
69.03415	4.3
69.07077	2.3
70.06587	15.8
71.60043	2.2
72.08142	5.9
74.41450	1.3
77.03930	1.6
79.05522	3.5
81.03404	2.4
81.07047	1.5
83.04999	1.9
84.04510	5.6
84.08147	7.1
85.02908	5.5
86.09702	17.2
89.03925	2.9
91.03946	3.0
91.05474	32.8
93.07032	2.0
95.04982	1.9
97.02907	3.5
97.06536	1.5
103.05473	1.4
107.04949	5.0
109.02902	1.5
110.07180	3.4
117.03351	3.6
119.04939	42.0
120.08117	4.2
127.03927	2.4
129.05582	1.2
129.10268	3.5
130.05035	2.6
134.60770	1.5
135.04405	7.8
137.05998	3.9
145.02843	4.8
147.04398	38.8
149.06076	1.9
152.07172	1.8
157.03984	3.3
159.09106	1.4
161.81198	1.3
163.03906	20.3
164.04605	1.7
167.07045	2.4
175.03900	53.1
176.07109	2.3
177.05415	3.0
179.06992	3.9
181.04997	1.8
191.07037	3.2
207.06519	100.0
295.87753	1.6
301.17679	2.2
311.09308	1.8
313.10730	18.3
363.10654	1.5
364.35706	1.4
517.16187	2.9
530.41321	1.5
543.14716	1.6
561.15985	7.0
561.31378	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	561.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29228	1.7
53.03947	13.2
55.01870	26.3
55.05508	27.0
57.03434	24.5
57.07051	4.4
57.39771	1.8
61.02921	8.3
65.03923	6.9
67.05501	100.0
69.03040	3.3
69.03425	65.3
69.07063	20.0
70.64727	4.0
71.01331	3.1
71.04980	7.8
72.08629	1.7
73.02915	62.5
75.04471	5.0
78.28896	1.7
79.05487	55.7
81.03415	47.9
81.07054	98.4
83.04971	14.9
83.08605	12.3
85.02905	40.0
85.06545	3.0
90.84024	1.8
90.91124	1.9
91.05482	34.4
93.03429	1.8
93.07036	60.8
95.04973	10.2
95.08604	80.8
97.02885	15.7
97.06522	4.2
97.10148	5.3
99.04443	28.1
99.08094	2.4
105.07021	27.9
107.08588	33.8
109.02872	80.2
109.06548	2.6
109.10158	51.3
110.03667	11.4
111.04437	66.8
111.08087	3.3
111.11730	2.2
117.06979	8.8
119.08572	21.3
121.10130	36.2
123.11703	17.7
124.99036	2.2
125.09579	1.8
127.03905	53.6
129.07018	2.2
131.08563	18.6
132.98605	1.3
132.99545	34.5
133.10101	17.5
135.01131	3.1
135.11697	26.6
137.09628	2.7
137.13266	8.1
142.53287	1.7
145.04979	2.7
145.10135	13.3
147.11671	15.6
148.99063	1.8
149.13255	15.7
151.00578	8.4
155.00095	2.7
159.11668	14.5
161.13222	12.7
163.11176	2.6
163.14813	7.0
165.12711	3.9
167.00124	2.0
172.99055	6.3
173.13239	14.6
175.14845	5.7
177.12779	2.1
177.16408	1.8
179.14340	5.1
181.05482	1.7
187.14864	9.2
191.00070	36.4
201.16370	2.3
205.15939	2.7
209.01176	13.9
243.21085	15.5
248.77742	1.6
261.22134	48.4
265.03915	3.1
279.23016	2.8
317.24771	6.1
335.25833	42.9
369.24231	2.8
377.27127	2.7
451.21628	2.8
561.27283	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43410	4.1
55.01863	8.2
55.05497	24.1
57.03416	8.9
57.07077	3.4
61.90422	3.6
66.04131	3.3
67.04004	4.2
67.05502	87.4
69.07062	18.7
70.27630	14.5
71.04979	18.0
79.05484	60.9
81.06600	5.3
81.07053	91.9
83.04959	10.6
83.08613	14.0
85.06567	5.4
91.05466	47.3
93.07036	80.1
95.04948	10.5
95.08607	75.0
97.06503	9.4
97.10144	3.9
105.07032	29.4
107.04945	10.7
107.08587	58.6
109.06486	5.2
109.10132	26.2
111.08051	3.8
117.07017	14.8
119.08572	18.1
121.06484	5.8
121.10140	35.0
123.11679	17.1
131.08577	11.7
133.10127	18.7
135.11685	59.3
145.10117	34.8
147.11659	8.1
149.13280	9.7
151.11197	7.5
159.11674	14.3
160.61739	4.2
161.13240	7.3
163.11169	55.2
163.14807	3.8
164.68388	3.7
165.12637	6.5
173.13290	4.7
181.12227	12.3
183.13808	8.4
216.98949	3.8
227.12798	100.0
233.02469	4.0
243.21051	7.3
256.89862	4.9
261.22083	31.2
283.15402	39.7
300.77213	4.3
317.24771	10.8
335.25797	79.9
335.29742	4.2
336.18863	4.5
437.34167	5.5
469.32736	4.8
517.38849	10.6
529.38727	13.4
543.36792	35.3
561.40668	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	560.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05035	1.1
58.06587	0.3
59.99626	0.2
60.04514	1.0
69.03450	0.4
69.07066	7.0
70.02952	0.2
70.06589	6.0
70.86642	0.7
72.08150	4.9
73.08479	0.3
74.06075	0.7
74.73615	0.2
75.05593	4.2
81.03416	0.2
83.06101	0.4
84.04501	8.3
84.08141	2.4
85.02905	0.9
86.09702	100.0
87.05588	0.6
87.10015	1.2
88.03986	3.4
89.03909	0.4
93.07018	0.4
97.06499	0.3
101.07150	0.6
102.04856	0.5
102.05539	10.9
107.04998	0.5
110.06076	0.2
110.07150	1.4
112.08703	0.2
116.07095	0.3
117.03388	0.9
119.04943	0.4
120.08092	1.1
125.06011	0.2
127.03932	0.2
129.06612	0.4
129.10242	1.8
130.04977	0.7
132.10251	0.3
133.48181	0.2
135.04427	0.3
136.03923	0.5
136.07573	0.6
137.06006	0.4
139.04996	0.5
141.06517	0.3
141.10240	0.3
143.11789	18.7
145.02840	3.2
147.04401	0.2
147.07660	0.4
148.06033	8.6
148.07188	0.4
149.06020	0.4
152.07047	0.5
152.10710	0.3
157.13455	0.3
159.07867	0.3
159.09178	0.9
162.05472	0.2
164.07091	0.3
166.08557	0.3
168.06421	0.4
169.06068	0.3
170.06036	0.5
171.11295	8.3
173.09196	0.3
173.13016	0.3
177.05460	6.7
179.32066	0.2
181.06070	5.5
185.16447	0.5
187.07164	0.7
187.10799	0.6
199.07150	0.4
199.18053	0.3
201.12296	0.4
206.12755	0.3
213.08685	2.0
213.15956	0.5
214.08945	0.3
215.13910	4.3
217.13536	0.3
224.18629	0.2
227.06660	0.7
227.17735	0.4
238.19113	0.3
239.17479	1.8
241.08228	2.0
243.13393	16.1
245.13011	0.2
255.13629	0.3
259.09250	17.1
266.18649	0.6
277.10291	4.9
282.14606	0.3
284.19675	9.2
300.15494	2.6
300.18811	0.4
310.46140	0.3
312.12286	1.3
372.17755	0.6
385.24466	1.2
390.18692	3.8
395.22717	0.3
413.23969	2.6
431.19092	0.3
560.28168	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.1
53.03937	5.3
55.01856	6.9
55.05510	42.3
57.03419	5.1
57.07071	4.1
60.76285	1.7
65.03956	2.0
67.05504	67.5
69.03433	2.2
69.07066	17.4
69.07394	2.8
70.57302	2.6
70.57658	6.1
70.72778	2.1
71.04992	2.2
71.86943	1.9
79.05494	44.2
81.07053	59.7
81.07527	3.6
81.09748	1.9
83.04971	8.0
83.08612	21.4
85.06535	3.0
91.05479	37.1
93.06480	4.2
93.07042	51.8
95.04961	8.1
95.08604	38.9
97.02911	2.9
97.06554	6.2
97.10173	26.6
99.00807	4.9
103.05460	2.3
105.07037	35.1
107.04964	6.3
107.08600	32.3
109.02847	9.1
109.06506	5.2
109.10165	19.8
111.08067	7.2
115.05457	3.7
117.07018	19.1
119.08582	27.4
121.06501	5.3
121.10126	22.0
123.04443	2.2
123.08072	3.0
123.11711	6.4
125.09608	18.0
127.04021	2.0
128.06256	2.6
129.07025	8.2
131.08577	19.7
133.06471	3.0
133.10139	39.2
135.08076	5.2
135.11693	18.9
137.09645	4.6
141.07019	2.3
143.08556	16.0
145.06435	2.7
145.10109	22.0
147.11687	12.2
149.09599	3.2
149.13292	6.3
151.11209	6.6
153.09131	2.1
153.12733	2.2
155.08551	7.0
157.10081	11.2
159.08080	4.2
159.11720	14.3
161.09625	15.9
161.13261	5.2
163.11145	2.9
163.14874	2.4
169.10168	8.3
171.08086	3.4
171.11685	9.3
173.13278	11.7
175.11240	3.5
175.14822	4.0
179.10696	6.9
181.10017	3.6
183.11720	7.6
185.13293	7.8
187.11266	2.4
187.14807	4.7
189.09172	6.3
189.11235	10.1
195.11636	3.1
197.11746	2.3
197.13376	5.6
199.14803	4.8
201.16400	2.7
207.10197	3.4
209.13245	3.8
211.14874	3.4
213.12453	2.1
213.16328	2.6
213.45956	2.3
225.11298	9.6
225.16336	3.0
227.12732	9.2
243.21265	3.6
253.19543	2.0
259.20715	4.6
261.22101	12.9
271.20511	2.4
277.21780	5.7
281.13770	12.4
287.23804	7.6
289.21506	2.7
295.20670	2.9
297.22366	3.9
299.20163	4.0
313.21518	2.3
315.23270	22.0
333.24228	3.7
403.29883	2.8
405.31918	1.9
421.30881	10.7
431.29227	4.0
432.38745	2.4
439.31879	9.6
449.30469	16.7
457.33163	8.2
467.31607	32.3
485.32724	23.7
495.34497	2.5
513.35663	28.7
515.37830	3.2
523.34198	5.7
531.36847	25.2
541.35291	62.0
542.36230	2.4
559.36340	100.0
559.44409	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	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61469	3.6
53.03929	5.5
55.01870	6.2
55.05506	36.7
57.03428	8.3
59.47780	4.0
65.03919	5.0
67.05499	71.8
67.61080	3.4
69.03407	4.6
69.07050	18.5
69.94946	20.7
72.61916	3.4
79.05490	48.9
81.07053	59.2
83.04973	5.7
83.08609	16.4
91.05467	46.3
93.07030	48.4
95.04948	10.4
95.08595	36.4
97.06486	4.0
97.10168	21.5
99.00788	4.3
105.07021	42.2
107.04953	4.0
107.08603	30.0
109.02871	4.9
109.10142	22.3
117.06998	16.5
119.08561	25.9
121.10135	18.6
123.11669	7.5
125.09604	16.5
129.06964	11.2
131.08563	26.0
133.10130	31.0
135.07993	3.8
135.11674	15.5
143.08548	16.8
145.10124	24.4
147.07957	4.1
147.11696	12.3
149.09630	4.5
149.13217	10.7
155.08554	4.3
157.10114	13.2
159.08080	4.4
159.11671	16.4
161.09616	16.2
161.13232	4.7
163.11203	6.4
163.14806	4.0
169.10117	8.2
171.07959	4.4
171.11682	14.5
173.13191	10.2
179.10716	4.8
183.11763	8.1
185.13292	5.4
187.14751	4.1
189.11177	8.3
197.11476	3.9
197.13264	8.2
225.11139	6.3
227.12698	6.2
242.89026	3.5
261.22089	13.8
277.21631	8.5
281.13773	12.4
287.23636	5.7
313.21436	4.4
315.23163	20.1
390.86694	4.3
421.30887	13.1
431.29257	5.7
439.31927	6.9
449.30374	14.1
467.31616	31.1
485.32343	19.2
513.35565	24.1
523.34149	5.1
531.36725	25.6
541.35040	69.8
559.36304	100.0
560.36353	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47234	2.4
53.00306	3.4
53.03936	6.9
55.01865	9.7
55.05510	40.8
57.03426	5.0
57.07057	4.5
65.03965	4.1
67.05502	65.2
69.03425	4.4
69.07070	15.7
69.39025	19.8
69.39436	5.6
71.04984	4.2
79.05490	44.2
81.03413	6.3
81.07055	61.5
83.04989	5.9
83.08616	19.9
91.05470	43.5
93.07038	50.8
95.04984	8.7
95.08602	40.3
97.02891	4.9
97.06537	5.0
97.10169	21.3
98.20766	5.5
99.00816	7.1
105.07034	40.2
107.04961	5.7
107.08588	33.0
109.02911	6.3
109.06533	3.3
109.10129	17.5
111.04425	3.4
111.08101	3.8
115.04003	4.3
117.06987	19.4
119.08575	31.5
121.06505	2.8
121.10121	18.9
123.11693	4.7
123.47660	2.7
125.09611	13.4
128.06288	3.0
129.07002	5.9
131.08568	20.8
133.10112	38.8
135.08049	4.7
135.11664	15.2
143.08606	12.2
145.10127	17.8
147.11630	12.5
149.09637	3.0
149.13248	8.5
151.11217	6.1
153.12767	3.6
155.08556	4.8
157.10165	8.1
159.11670	12.4
161.09637	13.0
161.13280	9.1
163.11127	3.6
169.10138	5.6
171.08022	3.9
171.11725	7.7
173.09666	4.3
173.13298	8.8
175.14902	5.1
179.10696	5.6
183.11658	4.3
185.13301	8.9
187.14856	5.5
189.09149	4.7
189.11186	5.7
195.11829	3.4
196.67876	2.6
197.13367	4.7
199.14789	3.2
201.12701	2.5
207.10162	3.7
209.13370	2.9
225.11282	9.5
227.12790	7.7
243.20901	3.1
261.22079	13.4
269.22763	3.1
277.21655	7.2
281.13812	10.8
287.23856	3.3
299.20200	3.2
315.23126	15.1
335.25879	3.0
403.30228	3.4
421.31110	8.5
431.29657	4.0
439.32062	5.2
449.30612	13.9
457.33377	3.8
467.31631	26.1
485.32785	13.7
513.35895	20.3
515.37244	3.8
527.39032	2.6
531.36859	14.5
541.35291	50.3
559.36304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.25389	0.2
55.01864	0.4
55.05503	0.2
56.05021	0.2
57.03422	0.4
58.30592	0.1
58.68769	0.1
60.04508	0.2
61.02919	0.4
63.02368	0.4
64.28391	0.2
65.88271	0.1
68.99775	0.4
69.03423	2.7
69.07076	0.3
70.06210	0.2
70.06588	3.3
70.72103	0.1
71.04979	0.4
71.06859	0.2
71.54391	0.1
72.08150	2.7
73.02914	0.3
74.06070	0.3
74.07780	0.1
78.04707	0.2
79.05475	0.2
81.03414	2.3
83.06101	0.2
84.04494	1.5
84.08141	1.2
85.02898	5.0
86.06064	0.2
86.09699	3.7
87.00831	1.5
87.05605	0.2
87.10049	0.2
88.03980	0.3
89.03914	4.2
91.05484	1.2
93.07021	0.3
95.04952	0.3
97.02891	1.7
99.04471	0.8
101.07140	0.4
102.05502	0.5
103.03951	0.2
103.05469	0.6
104.05325	0.2
105.01855	1.4
106.04168	0.2
107.04965	1.1
109.02877	2.7
110.07150	0.6
112.08712	0.2
115.05410	0.2
117.03371	14.4
117.07015	0.5
117.25120	0.2
119.04949	1.0
120.08090	0.4
121.02864	0.7
121.06466	0.4
123.04413	0.2
127.03913	4.5
129.01822	0.3
129.10233	0.8
131.04933	0.2
132.10251	0.2
134.03615	0.8
135.04414	1.3
136.06181	0.5
136.07564	1.0
137.06001	1.1
143.11769	0.5
144.04419	0.3
144.06534	0.2
145.02835	46.5
145.04823	1.4
145.06474	5.1
146.03198	0.3
147.02882	0.3
147.04364	1.8
149.05977	5.6
151.03860	0.2
152.07054	1.0
155.06055	0.3
157.13303	0.2
158.05972	0.2
159.02925	1.5
160.05203	0.4
161.06013	0.3
162.03172	1.0
162.05478	1.2
163.03877	0.7
166.08681	0.3
170.06010	0.2
171.11377	0.2
175.07521	0.6
176.07103	0.3
177.05455	100.0
178.05769	1.0
185.16521	0.2
186.05475	1.4
188.07047	2.1
201.05496	0.2
201.12279	0.3
206.08098	0.3
213.03928	0.4
215.13910	0.3
218.08058	0.2
219.06531	0.2
231.04910	1.5
243.13312	0.2
245.11450	0.2
249.06038	0.2
261.07556	0.4
285.07483	0.4
312.12274	22.6
313.12766	0.3
319.47028	0.2
348.07001	0.3
437.32672	0.2
514.75641	0.2
555.05396	0.2
560.16748	1.3
560.26843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.7
53.03933	7.2
55.01877	8.5
55.05508	40.3
55.12841	1.7
56.08974	1.6
57.03425	4.5
57.07064	5.0
59.05001	4.0
65.03925	4.3
67.05501	69.8
67.94402	1.8
69.03432	2.6
69.07063	19.1
69.14083	1.6
69.45367	13.7
71.01355	1.9
71.04991	4.3
71.08645	2.5
75.05716	1.7
77.30209	1.7
79.05486	52.5
81.03403	5.1
81.07048	63.3
83.04960	7.0
83.08618	23.0
85.06526	2.8
88.06376	1.7
91.05471	52.4
93.07037	64.5
95.04959	8.3
95.08598	37.7
97.02880	6.1
97.06521	8.1
97.10165	22.4
99.00820	7.9
99.08066	2.3
105.07027	43.2
107.04939	8.4
107.08588	36.6
109.02880	12.7
109.06511	4.9
109.10153	23.2
110.10446	2.5
111.04450	2.1
111.08075	3.4
117.07008	14.0
119.04942	1.9
119.08569	30.2
121.06504	7.2
121.10134	23.5
123.04451	2.4
123.08028	2.9
123.11680	5.7
125.09637	14.8
128.06194	3.5
129.06998	10.6
131.08557	27.1
133.06468	4.1
133.10129	41.7
135.08049	3.3
135.11668	20.0
137.09618	2.9
141.07008	3.0
143.08528	11.2
145.06459	3.0
145.10112	19.1
147.08112	2.5
147.11670	11.9
149.09566	2.5
149.13239	9.7
151.11188	10.1
152.89259	1.8
153.09090	2.1
153.12746	2.7
155.08521	3.9
156.09366	1.9
157.10156	9.9
159.08092	2.7
159.11711	11.4
161.09583	17.6
161.13245	9.9
163.11165	3.1
163.14838	3.6
169.10097	4.6
171.08087	6.6
171.11635	11.6
173.09816	2.9
173.12000	1.9
173.13237	10.4
175.14830	4.4
179.10660	7.0
181.10132	3.3
183.11705	5.6
185.13260	7.4
187.14815	5.9
189.09305	8.8
189.11136	10.1
195.11613	2.6
197.11685	3.8
197.13283	5.4
199.14859	2.6
201.16440	2.3
207.10132	4.1
209.13405	2.2
211.14876	3.2
223.14784	2.4
225.11108	12.0
227.12770	6.0
243.12193	2.3
243.21053	5.0
249.16089	2.1
259.20648	4.3
261.22049	13.1
271.20697	3.2
277.21667	4.9
281.13913	10.1
283.15277	2.3
287.23682	5.4
297.22226	3.4
299.19977	3.6
313.21667	3.2
315.23181	19.1
317.24817	2.1
403.30026	2.3
417.66840	2.1
421.30984	8.2
431.30060	2.0
439.32007	7.8
449.30252	14.9
457.33167	5.4
467.31546	24.0
485.32562	15.0
495.34384	3.5
513.35730	22.9
515.37354	2.6
520.24005	1.8
531.36670	17.9
541.35089	44.3
559.36230	100.0
560.36725	4.5
587.03052	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	558.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.6
55.05732	1.5
56.05016	3.8
57.07078	14.1
57.68660	2.0
60.04524	70.0
66.71306	1.7
67.05493	12.9
69.07068	11.7
70.06586	2.1
70.89530	4.2
70.89884	2.2
71.08634	8.3
76.09417	1.7
78.93369	1.7
79.05483	6.2
81.03413	2.7
81.07047	14.5
82.06561	2.8
83.08601	7.2
84.08183	1.7
85.10188	3.3
88.07638	2.2
91.05460	3.0
93.07022	5.6
94.06551	5.2
95.04979	2.9
95.08606	15.8
97.10168	4.2
99.46406	1.7
105.07043	2.7
107.08603	4.4
108.08105	3.0
109.10137	5.9
111.11699	1.8
119.08600	2.5
121.10154	2.8
123.11742	3.0
133.10150	2.1
135.11699	2.4
185.58641	1.8
220.08653	1.5
242.24745	10.1
250.25375	2.1
256.89285	2.0
262.25272	15.7
263.23718	5.0
280.26376	20.5
298.27512	11.4
298.61737	1.8
314.37421	1.8
316.28497	7.9
394.05246	1.8
504.47833	6.4
522.48853	100.0
523.48877	2.2
540.49805	40.5
558.53259	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	559.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25436	3.0
64.21585	3.3
70.06583	11.7
71.59161	5.9
73.97327	3.1
82.06550	3.8
86.09685	5.2
95.39001	3.5
110.06014	11.3
118.06524	15.0
126.05482	5.4
129.10252	4.6
132.08066	7.2
136.07579	36.6
137.43507	4.1
144.08046	11.2
146.06015	38.2
146.99576	3.8
151.64694	3.1
159.09143	4.2
164.07062	86.2
182.08127	100.0
188.07051	65.2
205.09755	22.8
247.73422	3.7
319.12991	5.3
337.13864	10.1
355.14874	6.8
518.41864	4.1
549.44641	3.9
559.16071	4.2
568.83405	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	559.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
53.58818	2.7
55.01869	5.4
55.05508	20.6
56.27062	3.0
57.03436	7.3
57.07077	15.6
61.02913	5.4
64.58192	2.8
67.05496	27.2
67.58326	3.0
69.03426	37.0
69.07069	55.6
70.06586	10.1
71.04975	6.6
71.08630	5.6
71.24521	2.9
71.45380	2.9
77.65147	3.2
79.05504	17.0
81.03412	28.7
81.07051	100.0
83.08605	29.8
85.02901	41.8
85.06535	10.1
86.09685	6.9
87.00816	16.4
88.76640	2.9
91.05478	9.6
93.07040	27.3
95.04959	6.3
95.08605	80.8
95.09192	6.2
97.02884	12.9
97.06503	5.4
97.10157	21.5
99.04449	8.2
99.08086	9.9
100.19500	3.2
105.01868	16.3
105.07012	11.6
107.08583	24.1
108.59802	3.5
109.02841	16.5
109.10153	50.4
111.08060	9.3
111.11693	15.5
113.09540	3.5
119.08592	11.1
120.08118	4.1
121.10136	16.3
122.83279	2.6
123.11703	35.1
125.13303	5.8
127.03924	36.7
127.11147	3.0
131.08601	3.6
132.67822	3.0
133.10126	9.0
135.11671	11.8
137.13254	21.9
145.04916	7.5
145.10081	3.9
147.11661	4.4
149.13242	27.3
151.14807	10.2
153.12697	3.5
155.08493	3.1
159.02963	4.7
159.08031	3.5
159.11609	4.1
161.09683	3.8
161.13246	3.9
163.14832	11.2
165.09178	3.9
165.12787	3.0
165.16365	6.8
167.14320	9.8
169.15971	3.5
173.13208	3.4
179.17970	4.2
181.80495	2.9
185.13269	2.8
187.06015	4.9
191.17914	3.9
205.19496	4.7
219.21056	3.9
231.05019	11.8
251.01945	4.6
275.27356	6.9
281.28391	9.5
293.28433	20.4
333.13367	3.6
363.21930	3.6
444.53375	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	557.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01863	3.0
55.05508	32.9
57.03437	1.7
57.07075	8.0
61.02913	0.9
65.03934	0.7
67.05183	0.9
67.05503	10.8
68.99798	0.7
69.03426	7.3
69.07066	38.5
70.06596	4.1
71.04986	1.5
71.08620	3.1
71.58124	1.0
72.08140	0.7
73.02888	1.4
79.05489	5.9
81.03418	4.8
81.07050	37.4
83.04975	42.3
83.08615	18.1
84.04487	1.3
84.08127	1.3
85.02901	13.9
85.06520	1.2
86.09687	2.6
87.00826	5.9
91.05467	4.5
93.07043	11.5
95.04965	2.3
95.08603	33.9
97.02879	4.4
97.06540	3.3
97.10146	7.4
99.04446	2.2
99.08071	1.1
105.01865	6.9
105.07019	5.7
107.08587	13.0
109.02874	4.9
109.06510	5.9
109.10153	19.6
110.07207	1.0
111.08079	14.9
111.11713	3.8
115.63466	0.7
119.08572	6.3
120.08100	2.3
121.10143	10.2
123.08096	3.3
123.11699	14.8
125.09648	4.1
125.13271	0.8
127.03905	8.0
129.01860	0.9
129.10252	1.1
131.08528	1.7
133.10132	3.6
135.11717	7.3
136.07513	1.0
137.09575	1.8
137.13255	13.7
139.11157	3.9
145.04932	3.6
147.11684	5.0
149.13258	5.3
151.14810	2.6
153.12714	7.4
155.14374	0.7
159.02884	1.8
161.13249	3.3
163.03928	0.8
163.14894	3.1
165.12750	5.2
167.14291	1.2
175.14793	1.8
177.16388	1.5
179.17854	0.8
181.15840	0.8
189.16393	1.6
191.17918	3.1
193.19525	8.2
195.17555	0.9
203.17982	1.5
209.18976	2.5
217.19461	3.4
223.20506	3.2
231.04987	2.5
235.20586	1.9
249.06120	1.2
273.25766	5.4
291.26801	100.0
292.27225	1.3
309.27789	1.4
539.32269	1.0
557.25629	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	557.6018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05515	13.6
55.53614	1.4
57.06794	2.1
57.07073	35.8
67.05502	36.3
69.07064	30.8
69.30429	17.9
71.08627	29.8
79.05495	5.1
81.07053	67.5
81.49814	1.4
83.08617	29.6
85.10175	23.0
93.07063	2.0
95.08605	100.0
97.10167	30.2
99.11726	2.7
107.30976	1.7
108.51015	1.5
109.10153	65.2
111.11714	21.4
113.13326	2.6
123.11703	24.5
125.13256	10.1
137.13252	12.8
139.14839	4.4
146.69917	1.5
151.14871	6.4
153.16374	2.4
165.16441	6.4
167.17944	1.5
179.17981	3.3
193.19548	1.5
221.22678	2.0
235.24283	2.0
237.78098	1.5
277.28986	2.3
283.26453	3.2
284.26660	2.1
291.30579	2.7
305.31921	3.7
319.33691	1.8
320.42685	1.7
333.35397	2.0
347.36938	4.0
361.38257	5.6
375.39777	1.6
557.53101	10.5
557.60413	54.5
558.60498	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	557.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01870	4.0
55.05509	17.2
56.05040	1.8
57.03424	1.6
57.07069	9.9
61.02926	2.5
64.89591	1.5
67.05502	26.8
69.03419	17.4
69.07069	48.2
70.06596	11.9
71.04997	4.9
71.08636	3.7
71.51140	1.7
72.08154	8.0
76.64692	1.4
79.05482	18.3
81.03429	12.3
81.07053	100.0
81.55515	1.5
83.04984	3.6
83.08155	2.4
83.08619	22.9
84.04514	5.0
84.08138	4.6
85.02911	17.9
85.06541	11.9
86.09711	13.2
87.00819	3.0
89.65697	1.5
91.05479	10.2
93.07043	32.8
95.04972	5.6
95.08601	71.7
97.02876	10.0
97.06539	9.5
97.10169	5.7
99.04443	3.5
99.08091	5.3
105.01868	1.8
105.07026	13.6
107.04961	3.6
107.08586	34.8
109.02893	6.9
109.06522	5.6
109.10154	37.7
110.07100	2.0
111.04491	1.3
111.08075	13.9
111.11762	7.5
117.06999	3.2
119.08572	9.5
120.08096	6.2
121.06509	3.2
121.10136	20.0
123.08038	3.8
123.11702	29.6
125.09632	2.3
125.13308	3.0
127.03912	14.8
129.10220	3.2
131.08540	2.2
133.10118	8.4
135.08054	1.8
135.11682	17.3
136.07596	2.9
137.05968	4.1
137.09616	2.2
137.13260	20.2
139.07614	1.4
139.11166	3.6
141.12785	1.9
143.08633	2.7
145.04962	2.4
145.10136	3.6
147.11708	11.0
149.05916	2.0
149.13242	17.7
151.07458	1.4
151.11226	1.8
151.14816	3.2
152.07095	2.2
153.12767	9.6
155.14307	6.1
157.10014	1.8
159.11697	1.7
161.13280	4.2
163.07503	1.6
163.11124	1.8
163.14830	8.8
165.12726	4.1
167.14281	2.2
169.10338	1.4
175.14862	2.1
177.03792	1.7
177.05446	3.4
177.16385	4.7
187.06050	1.6
189.16370	3.5
191.18015	2.8
192.12975	1.5
202.08923	3.1
213.03947	2.1
217.19548	3.5
231.04912	7.1
261.25797	1.5
273.25793	4.2
279.26886	4.6
291.26880	9.2
309.27844	3.6
392.63379	1.5
399.29138	1.5
521.30640	1.9
557.28046	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	558.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50671	0.9
57.07072	5.0
58.06581	2.2
65.03956	1.1
69.94328	3.4
69.94756	1.9
70.06591	22.3
70.46913	0.9
71.08627	4.0
72.08163	1.2
81.07065	1.2
84.08132	1.6
86.09684	1.2
88.07626	21.7
91.05482	1.4
93.07054	1.0
102.09171	16.2
102.09811	1.2
106.30723	1.0
109.10135	1.0
115.10606	1.0
119.08582	1.7
121.02872	1.2
133.10124	1.1
148.06381	0.8
149.02341	47.7
192.70673	1.0
193.04967	54.9
200.20090	51.7
204.10251	1.6
219.06584	1.1
269.04520	1.3
297.04022	3.0
313.07062	3.2
341.06552	11.5
359.07651	5.7
385.09149	52.7
386.09143	1.1
471.45615	1.2
473.66052	1.0
558.26984	100.0
559.27307	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	557.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
54.50940	1.1
55.01856	5.1
55.05510	35.5
57.03415	3.6
57.07075	8.8
60.82224	1.1
60.82518	1.2
61.02929	1.8
67.05499	14.1
69.03427	15.5
69.07066	39.7
70.06577	3.8
70.79339	1.1
71.04998	2.6
71.08615	2.5
72.08136	2.1
73.02892	2.2
74.83932	1.0
79.05502	6.4
81.03429	13.5
81.06599	2.4
81.07056	42.9
83.04980	43.9
83.08615	19.5
84.08123	2.1
85.02904	28.3
85.06551	1.4
85.10156	1.8
86.09689	3.2
87.00828	11.7
90.62720	1.4
91.05459	4.1
93.07037	13.1
95.04946	3.5
95.08604	44.2
97.02886	7.6
97.06501	3.9
97.10178	9.0
98.20736	2.8
98.63120	1.1
99.04458	4.6
102.59519	1.1
103.05450	1.6
105.01851	8.2
105.07024	7.7
107.04922	1.6
107.08585	15.3
109.02879	13.1
109.06521	7.5
109.10152	28.2
111.08084	16.0
111.11720	5.8
117.01814	1.9
119.08582	8.6
120.08090	1.5
121.06487	1.6
121.10143	12.8
123.08080	2.8
123.11700	17.5
125.09598	4.1
125.13257	1.2
127.03902	17.1
129.01819	1.9
133.10149	5.5
135.11676	7.7
137.13252	17.5
139.11226	8.3
142.40047	1.2
145.04964	7.7
147.11670	5.3
149.13280	6.7
153.12743	6.8
159.02870	6.4
161.13235	5.0
163.14816	3.4
165.12866	6.4
175.14777	2.7
177.16411	1.5
189.16391	2.0
189.21597	1.3
191.17921	4.4
193.19505	8.8
203.17963	2.6
209.18951	2.5
217.19452	5.2
223.20520	2.5
229.74628	1.2
231.04971	3.6
235.20787	1.3
273.25784	7.3
289.34009	1.1
291.26819	100.0
292.44739	1.7
309.27847	13.9
353.91461	1.4
400.80777	1.1
539.32007	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	556.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78239	1.5
67.05497	1.6
68.82189	1.4
69.03409	1.4
69.07061	1.9
70.06598	10.3
70.57254	5.0
71.22282	1.4
72.08148	2.8
79.05486	4.5
80.05013	2.0
82.06583	2.3
84.04513	2.0
84.08138	2.6
86.09708	5.2
91.05481	6.2
93.07040	11.4
94.06557	11.5
95.04958	1.9
95.07349	14.0
95.08608	2.1
96.08127	27.8
97.06537	4.2
103.05460	2.3
108.08116	18.4
109.10117	1.5
110.09675	41.7
110.10416	2.9
119.90159	1.6
120.08105	32.4
124.07596	2.1
136.07556	13.6
138.05511	2.9
138.09142	52.1
139.27869	1.7
141.90405	1.4
146.06029	2.9
148.07574	9.3
150.09076	1.9
152.07095	2.7
161.30850	1.5
166.08627	100.0
167.07028	2.6
177.05508	2.9
207.71861	1.8
211.08707	4.6
213.10085	2.1
223.08669	4.1
225.10226	4.7
227.08134	3.1
235.08841	1.6
237.10204	15.1
238.07329	1.5
238.10980	3.4
239.08133	9.5
239.11748	2.5
241.09755	6.1
247.08566	1.5
251.08165	6.7
253.09750	21.8
255.11284	5.2
265.09726	30.9
266.10458	3.7
267.07816	3.3
267.11310	9.4
269.09262	3.5
275.46487	2.0
281.09204	18.7
283.10715	19.2
287.10364	2.9
293.09192	22.6
295.10724	21.7
299.10278	5.0
309.08673	3.5
311.10211	18.7
313.11758	3.3
315.13217	1.7
321.08698	11.5
322.14096	1.6
327.09790	16.6
331.13199	2.0
339.09729	28.8
341.11533	4.5
344.13986	2.0
353.11285	3.4
359.12366	42.4
368.88956	1.9
371.12323	21.2
372.13083	3.0
388.16647	4.1
400.39789	1.6
418.17627	5.7
436.18857	1.6
446.16953	12.3
448.18750	3.6
464.18192	38.8
474.16565	7.7
478.20117	1.6
492.17664	83.8
506.19543	10.1
524.20422	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	556.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05513	1.5
56.05028	2.3
60.04510	1.1
67.05494	1.4
69.03427	1.3
69.07044	1.4
69.50981	6.3
70.06592	20.7
72.08150	9.1
73.08503	1.0
74.06082	2.1
79.05468	1.1
80.05064	0.9
81.07051	0.8
84.04511	5.1
84.08147	7.6
85.02874	1.7
85.06490	1.0
86.09706	12.4
89.03918	9.0
90.69393	0.8
90.80782	0.9
91.05489	8.1
93.07018	2.3
95.04969	1.8
96.08126	0.9
98.21497	1.2
101.07136	1.1
102.05542	2.0
103.05467	2.8
105.07053	1.1
106.04190	1.2
107.04961	4.4
110.07175	4.6
111.93049	0.7
112.08723	1.1
115.05420	1.1
116.07071	0.9
117.03379	27.4
117.07025	1.4
119.04941	3.2
120.08111	9.5
120.64596	0.8
121.02837	1.8
121.06509	5.1
123.04433	2.6
124.07585	1.1
129.10249	4.7
131.04912	3.1
133.06181	1.3
134.03610	3.7
134.06000	1.7
135.04407	4.7
135.06737	1.5
135.07976	0.9
136.07608	6.1
137.05968	13.2
138.09087	1.0
145.02847	64.1
145.06497	9.7
146.03374	1.3
146.05992	2.5
147.04420	1.9
147.07820	0.8
148.05154	1.1
149.05980	14.1
151.07599	1.0
152.07083	3.9
153.09030	0.8
158.03613	1.5
159.04442	1.8
161.05946	2.1
162.05524	2.3
163.03894	2.0
163.07506	0.8
164.07085	1.4
165.05461	1.1
166.08620	0.9
167.07030	13.2
168.07355	1.1
168.10165	2.8
173.05997	5.7
173.12851	0.8
174.05484	4.0
174.06790	2.3
175.03996	1.4
175.07545	0.9
177.05470	100.0
178.06039	1.0
178.07680	1.1
179.07132	4.3
179.08475	1.4
180.07803	1.9
181.08562	2.1
186.03087	1.2
186.05440	3.0
188.07013	1.9
191.07068	2.4
192.07823	2.9
196.08679	1.0
201.05469	46.2
201.12160	0.8
207.06564	0.9
207.08125	10.1
209.08073	12.9
210.08827	2.6
213.05392	4.4
223.42474	0.8
231.06512	3.7
235.07515	4.1
244.09370	2.1
248.27490	1.0
253.08694	1.6
259.10690	1.4
263.06973	1.0
267.10242	2.9
310.10751	3.5
311.11603	1.0
312.12347	4.8
323.08649	0.9
327.12775	1.0
355.11792	5.3
367.11887	3.1
382.46094	0.9
385.12656	3.3
399.15778	1.2
422.16165	0.8
450.16302	0.9
490.18512	2.4
506.18860	2.9
538.20972	4.4
556.21533	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	556.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05513	1.5
56.05028	2.3
60.04510	1.1
67.05494	1.4
69.03427	1.3
69.07044	1.4
69.50981	6.3
70.06592	20.7
72.08150	9.1
73.08503	1.0
74.06082	2.1
79.05468	1.1
80.05064	0.9
81.07051	0.8
84.04511	5.1
84.08147	7.6
85.02874	1.7
85.06490	1.0
86.09706	12.4
89.03918	9.0
90.69393	0.8
90.80782	0.9
91.05489	8.1
93.07018	2.3
95.04969	1.8
96.08126	0.9
98.21497	1.2
101.07136	1.1
102.05542	2.0
103.05467	2.8
105.07053	1.1
106.04190	1.2
107.04961	4.4
110.07175	4.6
111.93049	0.7
112.08723	1.1
115.05420	1.1
116.07071	0.9
117.03379	27.4
117.07025	1.4
119.04941	3.2
120.08111	9.5
120.64596	0.8
121.02837	1.8
121.06509	5.1
123.04433	2.6
124.07585	1.1
129.10249	4.7
131.04912	3.1
133.06181	1.3
134.03610	3.7
134.06000	1.7
135.04407	4.7
135.06737	1.5
135.07976	0.9
136.07608	6.1
137.05968	13.2
138.09087	1.0
145.02847	64.1
145.06497	9.7
146.03374	1.3
146.05992	2.5
147.04420	1.9
147.07820	0.8
148.05154	1.1
149.05980	14.1
151.07599	1.0
152.07083	3.9
153.09030	0.8
158.03613	1.5
159.04442	1.8
161.05946	2.1
162.05524	2.3
163.03894	2.0
163.07506	0.8
164.07085	1.4
165.05461	1.1
166.08620	0.9
167.07030	13.2
168.07355	1.1
168.10165	2.8
173.05997	5.7
173.12851	0.8
174.05484	4.0
174.06790	2.3
175.03996	1.4
175.07545	0.9
177.05470	100.0
178.06039	1.0
178.07680	1.1
179.07132	4.3
179.08475	1.4
180.07803	1.9
181.08562	2.1
186.03087	1.2
186.05440	3.0
188.07013	1.9
191.07068	2.4
192.07823	2.9
196.08679	1.0
201.05469	46.2
201.12160	0.8
207.06564	0.9
207.08125	10.1
209.08073	12.9
210.08827	2.6
213.05392	4.4
223.42474	0.8
231.06512	3.7
235.07515	4.1
244.09370	2.1
248.27490	1.0
253.08694	1.6
259.10690	1.4
263.06973	1.0
267.10242	2.9
310.10751	3.5
311.11603	1.0
312.12347	4.8
323.08649	0.9
327.12775	1.0
355.11792	5.3
367.11887	3.1
382.46094	0.9
385.12656	3.3
399.15778	1.2
422.16165	0.8
450.16302	0.9
490.18512	2.4
506.18860	2.9
538.20972	4.4
556.21533	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	553.2768
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
52.06641	1.3
56.02525	1.1
65.04006	1.2
71.13003	2.8
73.97376	1.1
98.97617	1.5
123.32381	1.5
293.05515	2.1
314.97745	1.3
553.27747	100.0
554.28174	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	555.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31908	0.9
53.03942	2.6
55.01865	2.6
55.05511	11.4
56.38748	0.8
57.03426	1.6
57.07073	4.7
61.02920	1.5
65.03926	1.6
67.05504	24.6
69.03436	5.4
69.06685	1.5
69.07063	28.5
70.06579	3.2
71.05000	4.3
71.08631	0.7
71.60512	1.2
72.08147	2.7
73.02898	0.9
79.05495	14.4
81.03425	4.4
81.07053	100.0
83.04993	3.8
83.08622	5.8
84.04492	1.0
84.08160	1.5
85.02908	8.6
85.06537	2.9
86.09694	2.3
87.00813	4.1
91.05483	10.4
93.07040	33.1
95.04980	5.2
95.08603	45.7
97.02892	3.0
97.06524	7.6
97.10165	2.8
99.04453	1.4
99.08090	1.9
102.47892	0.8
105.01872	3.1
105.07030	24.7
107.08592	35.6
109.02898	2.1
109.06532	5.3
109.10154	55.7
111.08074	2.5
111.11737	2.0
113.09676	1.2
114.14192	0.8
117.07058	2.5
119.08575	16.3
119.09381	1.3
120.08101	3.0
121.06504	1.6
121.10143	19.8
123.08106	2.1
123.11701	66.6
125.09635	1.6
127.03915	6.7
127.11197	1.1
129.10263	1.0
130.05011	1.4
131.08556	4.9
133.10123	14.5
135.11691	14.6
136.07555	1.2
137.06001	2.2
137.09618	1.4
137.13255	8.4
139.11197	2.6
144.09395	1.1
145.04959	2.2
145.10095	7.0
147.11691	15.7
149.13278	8.7
151.11183	10.5
151.14693	0.8
153.12686	1.2
157.10118	1.0
159.02910	1.0
159.08121	0.9
159.11691	8.1
161.13246	10.1
163.14819	8.9
165.12782	5.2
173.09586	0.9
173.13177	3.7
175.14806	6.7
177.12773	1.6
177.16443	2.6
179.14346	3.1
181.15854	1.9
185.13329	0.8
187.04063	0.8
187.14722	3.7
189.16399	6.6
191.14383	0.8
191.17990	3.2
193.15871	2.0
201.16414	3.5
203.18024	1.5
205.15915	1.1
207.17503	3.5
215.17946	6.5
221.18942	0.8
231.05055	1.6
231.20958	0.8
233.19023	3.5
243.21162	1.0
271.24207	10.7
289.25259	44.7
307.26349	1.3
335.09894	0.9
392.55972	0.8
405.12830	1.0
501.28687	0.8
537.69116	0.8
555.24225	1.4
555.31958	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	552.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20624	0.2
51.97522	0.2
55.05505	0.2
56.05029	0.7
58.06631	0.5
59.07399	0.2
60.08163	6.5
67.05501	0.4
69.07074	0.3
70.06586	0.9
70.80762	0.3
70.81099	0.3
71.07372	3.2
72.08153	0.2
79.05500	0.3
81.03406	0.2
81.07051	0.7
84.04471	0.3
84.08144	0.5
85.02911	0.5
86.09705	29.8
87.10046	0.2
91.05481	0.3
93.07037	0.3
95.04977	0.2
95.08598	0.6
97.02905	0.2
98.06149	0.2
98.98464	2.6
98.99068	0.3
104.10736	4.3
105.07069	0.3
107.08566	0.2
111.04427	0.3
119.08563	0.3
120.08076	0.4
122.07338	0.2
125.00004	21.0
127.03918	0.3
129.10307	0.2
135.08051	0.2
137.05989	1.3
143.01088	0.5
151.07533	0.3
152.07118	0.3
159.11795	0.2
163.11221	0.2
167.07091	0.2
168.03650	0.2
177.05495	0.6
184.07338	100.0
185.07774	0.4
247.04599	0.2
258.10999	0.4
269.21121	0.4
284.46927	0.2
305.72015	0.2
341.22375	0.2
534.28265	1.4
552.29321	6.5
553.29779	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	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05504	0.5
56.05020	0.7
57.03439	0.2
58.06623	0.7
59.07397	0.3
59.24981	0.1
60.08161	6.6
61.60509	0.2
62.25472	0.2
67.05502	0.6
69.07057	0.3
69.70784	1.2
70.06582	0.5
71.07376	3.1
71.88864	0.2
72.08170	0.2
74.38829	0.2
79.05499	0.5
81.07052	0.5
83.05012	0.2
85.02887	0.3
86.09701	32.4
91.05458	0.3
93.07055	0.3
95.04964	0.2
95.08598	0.3
98.21489	0.4
98.98460	3.2
104.10735	6.1
105.07016	0.4
107.04927	1.2
107.08555	0.2
108.05274	0.3
109.10142	0.3
119.08592	0.2
124.99998	21.6
143.01071	0.3
145.02849	0.3
150.06261	0.2
151.07526	0.2
155.06990	0.6
156.07391	0.3
163.03909	0.3
166.02609	0.2
177.05472	0.3
184.07332	100.0
185.07635	0.6
209.07979	0.2
210.08287	0.2
258.11005	0.4
285.11121	0.3
286.11411	0.6
303.12192	0.5
304.12567	1.2
313.48810	0.2
372.21945	0.4
510.69376	0.2
534.31879	1.2
552.33069	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	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
56.05019	0.6
58.06618	0.7
60.08158	5.7
67.05499	0.7
69.03426	0.6
70.05893	2.0
70.06563	1.6
71.07370	3.2
72.08130	0.7
79.05470	0.7
81.03381	0.6
81.07038	0.7
84.08114	0.9
85.02892	1.1
86.09699	30.0
91.05473	0.6
93.07059	0.6
95.04929	0.5
95.08588	0.6
98.20914	0.6
98.98464	3.2
104.10730	5.5
107.04938	1.8
107.08598	0.6
108.05269	0.7
119.08586	0.5
122.09677	0.5
124.99989	21.0
127.03892	0.5
137.61072	0.5
145.02879	0.5
166.08556	0.5
177.05455	0.7
181.46194	0.4
184.07326	100.0
185.07683	0.9
196.06856	0.6
207.06586	0.6
256.13571	0.4
265.09641	0.5
283.10025	0.5
285.10196	0.5
302.10950	1.2
303.11258	1.0
331.94885	0.5
339.13373	2.7
367.12946	1.2
380.23706	0.5
520.20703	3.7
521.20917	0.5
534.32043	1.5
552.23413	1.7
552.32776	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	552.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.05035	0.8
60.04519	0.4
67.05495	0.7
69.03430	0.4
69.07079	0.6
70.02953	0.4
70.06594	4.8
71.51115	0.5
71.89458	0.4
72.08146	1.3
74.06083	0.7
79.05479	1.4
81.03422	1.4
81.07036	1.0
82.06571	0.6
84.04499	1.1
84.08136	1.8
85.02900	1.6
86.09696	3.8
89.03902	0.9
91.05475	3.5
93.07046	2.6
94.06567	2.6
95.04982	0.6
95.07355	1.9
95.08601	0.4
96.08121	4.2
97.02917	0.6
97.06552	0.3
103.05451	1.0
105.07056	0.6
106.06523	0.6
107.04955	1.6
108.04494	0.6
108.08138	3.2
109.02884	0.5
110.06049	0.4
110.07153	0.5
110.09686	6.4
115.05446	0.6
116.07106	0.4
117.03400	3.3
117.07004	0.6
119.04949	0.7
120.04475	2.3
120.08109	6.6
121.06514	6.3
122.06009	1.4
122.09670	1.0
123.04425	0.5
123.06789	0.6
124.07612	1.4
128.95143	0.4
129.10254	1.1
131.04964	0.8
132.08128	0.6
134.06017	0.5
134.84943	0.4
135.04448	1.0
136.07567	5.2
137.05952	3.7
138.09137	9.5
143.04903	0.4
145.02855	7.3
145.04012	0.4
145.06422	0.5
146.06007	0.8
147.04390	0.8
148.07588	1.3
149.05971	1.6
150.09157	1.5
151.03906	0.5
151.06479	0.5
151.07471	1.9
152.07042	3.1
152.10698	0.9
159.09232	0.5
160.05135	0.5
160.07584	0.6
161.05986	1.2
162.05530	0.6
163.03932	1.7
164.07089	1.6
165.05544	0.4
165.09158	0.4
166.08638	9.8
167.07054	5.6
168.07358	0.5
168.10204	0.6
172.03906	0.7
173.05998	0.5
175.07480	0.8
176.07114	0.4
176.10736	0.6
177.05469	14.1
177.07884	0.8
178.05856	0.6
179.07137	0.8
180.10168	0.7
181.04964	0.9
182.11795	0.6
183.14961	0.5
184.10001	0.6
185.10756	0.6
186.05649	0.5
189.09081	0.4
191.07162	0.4
192.07849	1.4
192.10271	0.8
194.08165	2.0
196.09741	1.1
197.10713	0.8
199.12172	0.5
201.05487	1.3
204.06638	1.5
209.10741	0.8
211.08664	0.8
211.12306	0.8
211.14388	0.6
212.09450	0.9
213.10313	1.1
221.10756	0.6
222.11246	2.4
223.08701	1.2
223.12256	0.9
224.09474	1.3
225.10272	3.2
226.11038	0.7
227.11870	1.1
231.06544	1.5
235.08757	1.4
236.09282	1.6
237.10207	6.8
238.10912	2.0
239.08144	1.7
239.11743	3.2
240.12621	0.5
241.09796	1.1
245.12907	0.9
248.09357	1.4
249.10229	3.8
250.11111	2.7
251.08185	3.0
251.11790	5.9
252.12624	0.9
253.09723	4.5
254.10399	0.9
255.11285	0.9
261.10242	1.9
262.10995	0.8
263.08069	0.8
263.11761	2.8
264.08676	0.5
265.09732	7.5
266.10519	1.5
267.11276	4.3
269.09061	0.6
269.12881	0.7
271.10867	2.4
273.12231	0.7
277.09756	2.3
278.10495	3.8
279.07742	3.0
279.11337	8.0
280.08823	0.8
280.12119	2.0
281.09229	2.3
281.12878	1.7
282.10049	1.2
283.10748	6.9
284.11588	0.6
285.12421	1.0
287.13922	3.4
289.09689	3.1
290.10245	0.4
291.11380	1.5
293.09250	2.2
293.12891	3.0
294.10037	4.0
294.13254	0.7
295.10779	3.5
295.14108	0.6
296.11624	2.4
297.09146	0.6
297.12057	1.8
298.09518	0.7
299.10294	2.4
303.04907	1.3
304.05292	2.6
306.09891	0.9
307.11038	2.5
308.11606	1.2
309.12256	2.4
311.10330	6.1
311.13980	1.1
312.10992	2.7
313.11838	2.3
314.12558	1.9
317.09167	0.5
321.08722	0.5
321.12344	0.7
323.10129	0.8
323.14008	0.8
324.11176	1.4
325.11804	2.0
326.12665	4.8
327.13428	9.0
327.17209	0.8
331.11810	1.8
335.10269	4.3
337.11807	1.1
339.13382	42.2
340.10461	1.3
340.13959	1.0
352.10626	1.1
353.11481	0.9
354.12036	2.3
355.12851	8.2
357.14444	0.9
358.15509	0.5
367.12860	15.3
368.14468	0.9
369.14160	0.5
371.12314	1.6
371.16080	1.2
372.15271	1.5
376.17239	1.4
383.11588	0.9
385.13800	1.0
386.14758	2.3
387.15546	4.0
390.18372	0.7
399.15604	6.0
436.18622	0.6
451.21185	1.0
452.21783	0.7
460.18658	1.1
479.20596	2.0
488.18085	3.1
492.21423	3.6
502.19659	0.5
520.20844	30.7
521.21027	0.7
524.23767	0.6
534.22107	0.6
552.23413	100.0
553.23767	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	552.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.3
53.97939	0.3
54.34332	0.2
67.05469	0.6
69.03391	0.3
69.07055	0.3
69.47344	0.6
69.47744	2.0
70.06556	1.0
79.05449	1.0
80.04980	0.3
81.03406	0.5
81.07028	0.8
82.06561	0.3
83.04929	0.4
83.06123	0.3
84.04482	0.4
84.08134	0.5
85.02886	0.4
86.09674	0.8
89.03876	0.3
91.05450	0.9
93.05757	0.3
93.07037	1.4
94.06558	2.0
95.04913	0.3
95.07330	1.3
95.08566	0.9
96.08120	3.2
97.06485	0.5
103.05417	0.5
105.06984	0.3
107.07295	0.4
107.08576	0.4
108.04456	0.5
108.08109	3.4
110.07147	0.4
110.09679	5.6
117.03376	0.5
118.06548	0.3
119.08533	0.3
120.04463	2.3
120.08096	3.8
121.06455	0.5
122.05968	0.8
122.09637	1.0
123.06739	0.5
123.11689	0.3
124.07565	1.6
132.08070	0.3
134.09671	0.3
135.04422	0.3
135.06805	0.4
136.07570	4.6
138.09135	7.8
145.02815	1.7
146.05954	0.7
148.07561	1.4
150.05516	0.5
150.09084	1.1
151.06244	0.7
152.07057	1.8
152.10670	0.4
162.05505	0.3
162.09167	0.4
164.07059	1.0
166.08632	8.8
167.06981	0.4
168.10197	0.4
169.15887	0.3
177.05484	3.5
177.07849	0.6
180.06442	0.3
180.10320	0.5
182.11787	0.7
184.07317	1.2
185.10712	0.5
188.07008	0.4
190.05090	0.3
192.10165	0.7
194.08096	1.2
195.09149	0.4
196.09711	0.7
197.10764	1.2
201.05444	0.3
204.06543	1.2
209.10730	0.8
210.11455	0.3
211.08655	0.8
211.12314	1.0
212.09427	1.2
213.10237	0.8
222.11383	0.3
223.08665	1.4
223.12209	1.3
224.09486	1.3
225.10150	3.9
226.10919	0.7
227.11761	0.9
233.10716	0.6
234.13460	0.4
235.08638	1.6
236.09267	1.8
237.10196	6.3
237.12439	0.5
238.10919	1.6
239.08189	1.7
239.11745	3.4
241.09682	1.1
245.12895	0.5
247.08566	0.4
248.09286	1.2
249.10228	4.9
250.10960	2.4
251.08151	3.4
251.11783	5.3
252.08839	0.6
252.12474	1.0
252.14665	0.4
253.09718	4.4
253.12445	0.4
254.10419	0.7
255.11269	1.0
261.10168	2.0
262.10968	1.0
263.08020	0.6
263.11786	2.1
264.08887	0.5
265.09729	7.2
265.12900	0.5
266.10437	1.6
267.11267	4.2
268.12085	0.5
269.09201	0.4
269.12869	0.6
269.21039	0.8
271.10757	2.3
273.12366	0.6
276.08911	0.3
277.09738	2.0
278.06631	0.3
278.07181	0.3
278.10486	3.1
279.07675	3.2
279.11255	7.3
280.08734	0.4
280.12015	1.9
281.09189	2.2
281.12769	1.5
282.09973	1.1
282.13242	0.3
283.10751	5.7
283.13992	0.4
284.11667	0.4
285.12146	1.4
287.13910	3.5
289.09674	3.1
289.15604	0.3
290.10223	0.4
291.08020	0.3
291.11240	1.3
293.09125	1.9
293.12830	3.9
294.09970	4.4
295.10794	2.8
295.13998	0.4
296.11508	2.0
297.08725	0.8
297.12320	2.0
298.09335	0.4
299.10388	1.5
299.13455	0.4
300.11090	0.5
306.09946	0.8
307.10669	1.6
308.11490	1.0
309.08865	0.5
309.12323	2.2
310.12894	0.4
311.10214	6.4
311.13828	1.5
312.11029	1.9
313.11746	2.6
314.12701	1.7
315.13474	0.4
317.09238	0.5
319.10681	0.4
321.12378	0.9
323.10162	0.8
323.13788	0.6
324.11133	1.9
325.11789	2.4
326.12561	4.6
327.13367	8.8
328.14044	0.3
332.13760	0.4
335.10239	4.9
337.11887	1.2
339.13373	39.5
340.10391	1.1
340.13913	0.8
341.14917	0.6
346.15250	0.4
348.20184	0.8
352.10507	0.6
353.11206	0.8
354.12048	1.8
355.12857	8.3
356.13580	0.4
357.14502	0.5
366.21140	0.6
367.12851	13.4
368.13751	0.4
369.14392	0.7
371.12158	1.4
371.16190	1.1
371.22314	0.3
372.13232	0.5
385.13934	0.6
386.14725	2.5
387.15500	3.7
390.21176	0.6
399.15469	6.2
424.22525	0.3
436.18484	0.6
450.19922	0.3
451.21024	0.9
452.21478	0.4
460.18451	1.2
474.20078	0.4
479.20462	2.5
488.18127	3.5
492.21216	2.9
502.19635	1.0
520.20782	30.7
521.20978	0.6
524.23822	0.8
534.22040	0.8
552.23358	100.0
553.23584	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	552.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18963	0.3
55.01836	0.3
58.97879	0.3
66.77025	0.3
67.05444	0.4
70.06573	0.3
79.05441	0.5
81.03391	0.4
82.06553	0.3
86.09686	0.3
91.05444	1.0
93.07037	1.3
94.06570	1.4
95.04892	0.2
95.07338	1.6
96.08128	3.3
97.06502	0.4
103.05392	0.4
108.08117	2.8
109.08952	0.3
110.09678	5.8
120.04465	2.8
120.08092	4.6
121.06462	0.5
121.49829	0.3
122.09642	0.5
124.07569	1.0
129.06071	0.3
134.05882	0.3
136.07587	3.3
137.05986	0.4
138.09131	9.1
146.05994	0.6
148.07545	1.3
150.09085	0.8
151.06285	0.3
152.07048	1.3
152.10664	0.6
156.44334	0.2
160.07538	0.3
164.07034	0.9
166.08641	8.8
167.03381	0.9
167.07002	0.8
168.03694	0.4
168.10243	0.4
174.09021	0.3
176.10683	0.6
180.10201	0.8
182.11754	0.5
194.08057	1.1
196.09819	0.3
197.10744	0.6
198.11487	0.4
201.05458	1.4
204.06544	0.3
209.10735	1.0
211.12231	0.6
212.09364	0.9
213.10184	0.5
220.09880	0.4
221.10617	0.7
223.08659	1.2
223.12198	1.3
224.09464	1.1
225.10184	2.7
226.10927	0.6
227.11768	0.9
229.60759	0.3
233.10725	1.0
235.08647	1.0
236.09360	1.3
237.10194	7.7
238.10913	1.3
239.08115	1.5
239.11740	3.5
241.09714	0.9
245.12759	0.6
247.08742	0.5
248.09341	1.2
249.10194	5.0
250.11024	1.7
251.08159	3.7
251.11784	5.7
252.08920	0.9
252.12505	1.5
253.09695	4.4
253.12473	0.4
253.13351	0.3
254.10405	0.7
255.11192	0.7
259.14404	0.6
261.10168	2.3
262.10889	1.0
263.08832	0.4
263.11734	3.4
264.09012	0.6
264.12549	0.4
265.09735	7.7
265.12799	0.5
266.10526	1.6
267.08252	0.5
267.11240	5.3
267.14139	0.5
268.12036	0.4
269.09198	0.6
269.12604	0.5
271.10718	2.1
273.12427	0.5
276.08792	0.4
277.09671	2.3
278.10449	3.3
279.07669	3.3
279.11258	9.0
280.09164	0.3
280.11914	1.8
281.09149	1.8
281.12503	1.9
282.09882	0.9
283.10767	5.8
283.13965	0.4
284.11197	0.3
285.12344	0.8
287.13968	1.7
289.09689	5.7
290.10382	0.7
291.11179	2.7
292.08453	0.4
292.11847	0.3
293.09235	1.3
293.12808	3.6
294.09940	4.8
294.13113	0.6
295.10742	3.4
295.14206	0.7
296.11542	2.4
297.09030	0.5
297.12244	1.5
298.09503	0.6
299.10370	2.1
299.13339	0.5
304.08884	0.6
306.09811	1.7
307.10867	1.9
308.11652	0.9
309.09061	0.5
309.12326	2.4
310.13007	0.5
311.10223	6.6
311.13867	2.4
312.11008	2.4
313.11707	1.7
314.12524	1.9
315.13394	0.6
317.09192	1.4
321.08389	0.5
321.12271	0.6
323.10312	1.2
323.13910	1.2
324.10983	2.3
325.11896	1.6
326.12558	5.1
327.13336	7.9
328.13986	0.4
335.10260	8.3
337.11826	0.8
339.13376	54.0
340.10391	3.0
340.13754	0.6
341.15237	0.4
352.10419	1.3
353.11365	1.0
354.12122	3.8
355.12860	14.3
356.13571	0.4
367.12854	32.1
368.13327	0.7
371.12256	0.5
372.17184	0.3
376.16577	0.3
383.12335	0.3
386.14749	1.3
387.15393	0.7
399.15674	0.8
400.16626	0.5
406.17426	0.3
418.17462	0.4
432.19128	0.4
436.18610	0.4
444.19217	0.4
451.21030	1.2
460.18719	1.4
464.18042	0.5
470.17300	0.4
479.20499	2.6
488.18161	12.2
492.21298	5.8
502.19720	0.6
520.20770	100.0
521.21118	2.0
538.21594	0.5
552.23315	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	552.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85349	0.2
62.08003	0.2
65.03907	0.2
67.05450	0.2
69.27145	1.9
70.06577	0.3
76.88662	0.1
79.05450	0.6
80.04983	0.4
81.03409	0.2
81.05769	0.3
81.07042	0.3
82.06561	0.5
86.09695	0.2
91.05439	0.7
93.05767	0.2
93.07037	1.4
94.06558	1.6
95.04940	0.4
95.07333	1.6
96.08126	3.8
97.06483	0.3
107.07303	0.2
108.04405	0.2
108.07437	0.3
108.08105	3.6
109.08887	0.2
110.09669	7.3
118.06528	0.4
120.04453	3.4
120.07261	0.3
120.08091	4.5
121.06450	0.2
122.06005	1.0
122.09622	0.6
124.07594	1.2
132.08054	0.5
134.05951	0.4
134.09630	0.2
136.07568	3.7
138.09125	9.1
146.05936	0.7
147.06749	0.2
148.07550	1.7
150.05438	0.4
150.09100	0.8
151.06261	0.4
152.07091	1.4
152.10687	0.9
154.04927	0.2
158.18701	0.2
160.07610	0.3
162.05412	0.2
162.09094	0.3
164.07039	0.7
166.08624	9.2
167.07274	0.2
174.05432	0.2
174.09123	0.3
176.10693	0.5
180.10147	0.5
182.11723	0.4
183.09145	0.3
184.07329	0.2
185.10640	0.3
186.05492	0.3
187.06316	0.2
190.05040	0.2
192.06459	0.3
194.08148	1.1
196.09773	0.6
197.10742	1.2
198.11429	0.3
199.12263	0.3
204.06506	0.3
206.08110	0.2
207.09184	0.2
208.09674	0.3
209.10724	0.7
210.09138	0.2
210.11490	0.4
211.08620	0.5
211.12230	0.6
212.09412	1.0
212.13029	0.2
213.10132	0.8
215.11841	0.2
219.09204	0.2
220.09958	0.2
221.10616	0.6
222.07893	0.3
222.11363	0.4
223.08704	1.7
223.12206	1.6
224.09340	1.2
224.12973	0.2
225.10188	3.3
226.10936	0.7
227.11685	0.9
229.09663	0.2
233.10756	0.7
234.11487	0.3
235.08623	1.8
235.12245	0.6
236.09428	1.4
237.10205	8.6
238.07382	0.2
238.10934	1.8
239.08194	1.4
239.11742	3.7
240.12538	0.3
241.09723	0.9
241.13237	0.2
243.11272	0.2
245.12813	0.5
247.08543	0.3
248.09314	1.6
249.07622	0.3
249.10202	5.9
250.10945	2.2
251.08124	3.5
251.11774	6.4
252.08832	0.8
252.12514	1.3
253.09694	5.5
253.13260	0.7
254.10390	0.8
255.07611	0.3
255.11293	0.9
259.14331	0.4
261.10205	2.9
262.10934	1.0
263.08185	0.9
263.11768	3.1
264.08920	0.9
264.12177	0.3
265.09698	9.2
265.13095	0.4
266.10452	1.5
266.14026	0.3
267.08051	0.4
267.11230	6.0
268.11862	0.5
269.09320	0.8
269.12793	0.7
270.09616	0.2
271.10739	2.7
273.12671	0.3
274.07010	0.3
275.07959	0.3
276.08875	0.5
277.09720	3.0
278.06903	0.4
278.10440	4.0
279.07669	3.6
279.11258	10.3
280.08441	0.5
280.12012	2.0
281.09186	2.9
281.12793	1.9
282.10175	1.1
282.13306	0.3
283.10751	7.2
283.14017	0.5
284.11523	0.5
285.12256	1.1
287.13986	1.7
289.09674	5.8
290.10422	0.6
291.07956	0.3
291.11218	2.1
292.08377	0.2
292.12073	0.3
293.09204	1.6
293.12823	4.1
294.09988	5.5
294.13455	0.6
295.10785	4.1
295.14282	0.6
296.11526	2.5
297.08701	0.8
297.12302	1.7
298.09470	0.9
299.10263	2.2
299.13589	0.3
306.09848	1.5
307.10715	2.1
308.11420	1.1
309.08746	0.5
309.12256	3.3
310.09592	0.2
310.13083	0.5
311.10220	6.6
311.13885	2.1
312.11014	3.0
312.14551	0.1
313.11786	2.0
314.12549	1.8
315.13443	0.2
317.09036	1.1
319.10754	0.2
321.08530	0.5
321.12338	0.8
323.10156	1.1
323.13901	1.1
324.11063	2.2
325.11707	1.8
326.12622	5.4
327.13354	8.5
328.14209	0.5
330.15768	0.3
332.13922	0.2
335.10233	7.7
336.10767	0.5
337.08170	0.2
337.11740	0.7
339.13354	53.3
340.10449	2.8
340.13947	1.0
341.11127	0.2
346.15521	0.4
352.10504	1.2
353.11395	0.8
354.12082	3.8
355.12839	14.4
356.13516	0.2
358.15802	0.2
367.12845	33.1
368.13449	0.7
369.14709	0.3
370.15408	0.3
371.12137	0.3
371.16251	0.3
374.14771	0.5
376.16306	0.3
383.12723	0.2
384.17279	0.3
386.14548	1.1
387.15375	1.0
388.16629	0.2
389.17810	0.2
390.18158	0.2
399.15640	0.8
400.16455	0.4
402.18225	0.3
408.19449	0.3
414.18500	0.3
416.15558	0.2
418.17438	0.4
420.19232	0.3
428.15741	0.2
430.17636	0.2
436.18527	0.3
442.17371	0.3
444.19165	0.5
446.16855	0.5
447.17795	0.6
448.18689	0.2
451.20984	1.2
452.21387	0.3
460.18631	1.1
461.19397	0.3
464.17725	0.4
470.17239	0.4
474.19760	0.2
479.20480	1.8
488.18167	13.2
489.18057	0.2
492.21249	5.5
493.22211	0.2
502.19653	0.6
520.20740	100.0
521.20959	2.1
538.21875	0.6
552.23254	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	552.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73806	0.6
53.03951	2.8
55.01853	1.2
55.05503	0.8
65.03925	1.3
66.85734	0.6
67.05496	1.3
69.03414	0.6
69.07034	1.0
69.56478	1.1
69.56879	3.5
70.02921	0.5
70.06590	5.3
71.04993	0.6
72.08147	1.5
78.04697	2.2
79.05493	6.0
81.03416	52.0
81.07059	2.0
82.03746	0.8
84.04513	0.8
84.08131	1.8
85.02901	1.7
86.09687	2.6
86.10130	0.6
87.00819	0.7
87.05620	0.5
89.03904	1.0
91.05479	19.1
93.07033	3.1
94.04171	1.7
94.06544	0.9
95.04971	6.0
97.02850	0.7
97.06562	0.7
100.08805	0.7
100.52306	0.5
103.05472	9.8
104.05801	0.8
105.03384	0.8
105.07018	2.4
106.04200	0.8
107.04948	10.6
108.05753	0.6
109.06516	1.4
110.07162	0.6
110.09689	1.0
110.78130	0.6
112.80635	0.6
113.05988	1.6
115.05460	8.7
117.03355	2.0
117.07018	6.7
118.04117	1.0
119.04948	10.8
119.08550	1.0
120.08089	2.2
121.06504	16.8
121.08411	0.6
122.03664	3.4
123.04435	9.4
124.05197	3.2
125.05961	1.3
127.03913	0.9
128.06158	0.8
129.06978	0.9
129.10216	1.2
130.04138	0.8
131.04939	12.7
132.05208	1.2
133.02826	0.8
133.06519	1.1
134.03615	0.7
135.04387	1.5
136.05194	1.6
136.07545	1.3
137.05972	33.8
138.06302	6.2
138.09113	1.1
140.04625	1.9
141.05496	1.4
143.04913	4.2
144.05733	2.8
145.02817	4.3
145.06493	11.6
145.10042	0.7
146.03612	3.7
147.04427	6.2
147.08000	1.2
148.07559	0.6
149.05952	2.5
150.06741	0.8
151.03902	3.5
151.07541	25.1
152.04611	2.5
153.05412	1.4
155.04938	0.9
155.06038	1.8
155.07095	1.2
155.20570	0.6
156.05710	0.7
157.06476	0.9
158.03850	0.5
159.04321	0.7
160.05196	9.0
161.04665	0.8
161.05980	9.3
163.07533	9.8
164.07916	2.3
165.05455	2.1
166.08638	1.6
167.07033	100.0
168.07385	0.9
168.10194	1.9
172.05196	3.5
173.05974	9.9
175.07539	32.3
176.04695	0.8
176.06898	0.8
177.05466	8.9
177.08987	0.6
178.08589	0.7
179.07057	1.1
180.10228	0.7
181.04962	1.2
183.06519	1.1
183.52086	0.6
187.05882	1.3
187.07541	22.3
188.04605	1.2
190.06253	6.4
191.06969	3.4
192.04199	0.8
192.07574	0.7
193.08569	0.9
194.08121	9.9
201.05408	13.2
203.06908	1.4
203.08635	0.9
205.08582	6.1
207.08035	1.5
216.04137	0.7
217.08485	3.4
219.08107	1.0
221.09741	0.8
223.07497	0.9
230.08000	1.3
231.06506	25.5
233.08087	1.5
234.06708	1.3
235.07585	1.7
235.09639	26.2
241.08557	0.9
247.07515	1.2
248.08362	1.1
249.09053	2.7
251.07353	1.1
253.09743	0.8
262.06256	0.8
263.07092	0.9
264.07770	0.8
265.09558	0.9
266.09222	1.3
267.10086	1.0
274.10690	1.8
277.08661	2.9
279.06915	0.8
279.10889	1.3
281.11975	0.9
289.10471	1.9
292.07257	1.0
293.08124	0.7
294.08829	0.7
295.09738	0.8
303.04846	0.9
303.13345	0.7
304.05347	0.9
305.10489	1.2
307.09885	1.3
309.11298	3.7
311.09729	0.7
323.09134	1.2
326.11621	1.4
327.12900	1.1
335.09607	0.9
339.13162	6.2
341.13870	9.3
353.10754	0.7
355.12225	2.0
358.12524	0.7
367.12158	3.9
368.14951	18.9
369.13373	1.2
370.34796	0.7
380.15039	1.7
385.12686	1.7
397.12900	0.8
397.21692	0.6
398.15891	1.0
400.17322	1.2
415.13803	1.1
428.16681	2.0
488.17630	1.2
520.20831	10.8
522.21576	1.0
534.21326	3.5
552.22363	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	552.2075
Annotation	Ipecosidic acid
Peak:m/z	Relative Intensity
55.01864	0.4
59.73390	0.4
60.04513	1.4
61.02901	0.5
64.76831	0.4
65.64811	0.4
69.03425	0.9
70.06578	1.3
70.88467	1.1
74.12171	0.4
79.05437	0.4
84.08122	0.7
85.02892	2.1
85.72130	0.4
86.09666	0.9
91.05452	0.4
95.04951	0.6
97.02882	0.6
99.04665	0.4
102.05522	0.4
105.07010	0.4
107.04948	2.2
112.50576	0.4
115.05434	3.0
120.08090	0.8
121.06471	0.6
123.04418	2.0
124.05203	0.5
131.04903	1.2
133.02818	0.4
133.06476	0.6
135.04369	0.8
136.07532	0.5
137.05978	0.8
143.04904	7.5
147.04420	0.5
147.07918	0.5
149.05975	1.1
153.05444	0.7
160.05199	0.5
160.07565	1.0
161.05962	8.8
163.03862	0.8
164.07042	1.0
167.07028	17.3
173.05962	0.5
176.07088	2.6
177.05550	0.5
177.07919	2.4
178.08638	12.7
178.10129	0.8
179.03336	0.5
179.07100	0.5
179.08611	1.2
181.08578	1.0
183.08125	0.5
187.03902	1.6
189.07043	1.2
190.08638	0.4
205.04884	0.9
205.06580	1.5
206.07420	0.6
207.06432	0.6
207.08052	3.7
209.09679	0.5
210.06812	0.7
217.06494	1.2
218.08185	0.7
220.05209	0.7
221.05963	1.5
223.07582	1.1
224.08302	0.8
225.09232	0.5
231.09753	0.4
233.05971	0.7
234.06731	2.0
235.07542	8.3
236.08366	0.4
237.05489	0.8
238.06152	1.9
239.07027	0.8
245.05995	0.5
247.07524	1.2
248.04710	0.6
249.05421	2.2
250.06371	0.9
251.07004	2.0
252.07787	1.8
253.08559	4.8
255.06401	0.5
262.06244	7.7
262.08716	0.6
263.07025	9.3
264.10269	0.5
265.04938	2.2
265.08447	0.8
265.10989	0.7
266.05701	1.6
267.06543	1.7
267.10153	1.5
269.08237	0.7
277.08676	0.6
278.05554	0.6
278.08206	0.9
279.06458	1.1
279.08951	1.6
280.07236	2.5
281.08066	10.2
282.08774	2.2
283.06116	2.4
283.09302	0.6
290.05682	1.1
291.06421	1.1
293.07977	1.2
294.05164	0.7
294.08292	0.5
294.11307	1.6
295.06146	0.6
295.09573	2.4
296.09399	0.6
297.07541	0.8
298.08334	2.6
307.08450	1.4
308.06271	3.3
308.09320	1.7
309.07489	3.3
310.08273	0.5
311.05701	0.5
313.07288	0.8
313.10703	11.2
313.14401	0.6
315.12228	1.9
321.10013	2.5
322.10672	2.7
323.08801	6.9
324.08667	3.9
326.07712	2.5
329.09988	0.4
338.10254	2.5
339.11020	8.6
341.10162	10.0
343.11905	0.8
344.14917	1.6
346.16437	7.4
354.13336	17.5
372.14398	39.1
373.15286	0.4
390.15442	100.0
391.15833	1.6
516.18988	0.5
534.19196	0.6
552.20801	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	551.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93166	0.5
69.19983	0.4
69.52998	0.4
70.11919	0.5
71.55838	0.7
81.07057	0.4
84.08141	0.5
85.02938	0.5
86.09729	0.6
101.24760	0.5
109.10155	0.6
133.10115	0.5
184.07343	1.3
303.05093	2.9
389.22995	1.3
551.28247	100.0
552.28461	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	551.2826
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
62.50124	0.3
67.05524	0.4
69.29760	2.5
70.00535	0.2
70.06574	0.3
71.05006	0.3
78.35503	0.2
79.05481	0.2
81.07062	0.2
86.09702	0.5
89.90878	0.2
91.05439	0.3
91.49973	0.2
95.08614	0.4
109.10130	0.2
154.99545	0.2
184.07381	0.9
185.04248	0.4
190.98404	0.2
199.56148	0.3
203.05270	0.9
259.07816	1.2
303.05008	1.0
315.19104	0.3
333.19135	1.5
375.20172	0.3
389.22900	1.6
484.07733	0.3
551.28265	100.0
552.28552	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	552.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	3.8
69.03436	5.6
70.06580	2.5
70.25272	3.3
72.08126	2.4
73.11224	1.0
78.04710	1.2
79.05479	1.1
79.74702	1.0
81.03455	1.0
84.04500	2.0
84.08147	1.9
85.02906	3.7
86.09756	1.3
91.05491	1.2
97.02904	4.7
103.05479	1.1
107.04940	4.7
112.61224	1.1
115.05450	1.7
123.03635	1.3
123.04436	6.3
124.05226	1.4
127.03996	1.3
131.04993	1.6
135.04442	1.7
137.06015	2.0
141.24956	1.2
143.04939	3.7
147.04398	2.2
149.05991	2.9
152.07117	1.6
153.05501	1.4
160.07625	2.4
161.06000	6.2
164.07063	1.5
167.07031	59.2
168.07460	1.1
175.03951	2.2
176.07045	6.7
177.05481	1.4
177.07872	5.5
178.08722	10.7
179.07216	1.1
179.08623	3.9
181.04994	1.7
181.08441	1.1
187.03883	2.4
189.07036	3.1
193.06522	1.2
204.06595	1.6
205.06509	1.9
206.08098	3.3
207.08066	10.1
210.06914	1.8
217.06416	2.2
218.08214	1.5
219.08054	1.2
220.05202	1.8
221.05974	4.1
223.07542	2.7
224.08275	1.2
225.09111	1.4
233.06096	1.4
234.06796	6.3
235.07564	16.4
237.05524	1.9
238.06224	3.2
239.07100	1.5
245.06094	1.8
247.07492	1.7
248.08401	1.2
248.60710	1.0
249.05429	4.8
250.06274	3.8
251.07047	4.9
252.07797	4.3
253.08609	9.4
255.06602	2.0
262.06277	16.2
263.07028	21.2
263.09601	1.6
264.07614	1.5
265.05017	5.5
265.08578	1.2
266.05759	4.1
267.06528	3.5
267.10242	1.5
269.08276	1.7
277.04892	1.1
277.08240	1.4
278.08194	1.8
278.99237	1.0
279.06430	3.3
279.09088	3.0
280.04672	1.2
280.07132	5.2
281.08109	18.1
282.05545	1.2
282.08975	4.1
283.05881	4.9
290.05759	2.4
291.06458	2.8
292.09656	1.9
293.07831	1.4
293.10678	1.4
294.05484	1.7
294.11371	2.9
295.06070	1.8
295.09695	4.5
296.09323	3.2
298.08481	5.4
306.07507	1.4
308.06235	6.4
308.09381	3.9
309.07529	6.7
313.10703	18.9
321.09854	5.2
322.10779	5.3
323.08966	13.4
324.08664	8.4
325.10764	1.1
326.07986	4.3
338.10300	4.0
339.11038	14.6
341.10141	19.1
344.15076	3.6
346.16351	1.3
354.13333	44.6
372.14407	100.0
373.15112	2.1
390.15463	9.8
439.58844	1.1
516.18799	4.0
534.19745	15.4
552.20795	78.1
553.20953	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	551.103
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
53.03934	0.1
55.01861	0.1
65.03916	0.2
67.01833	0.1
68.46070	0.1
68.99784	0.8
69.03427	0.5
70.06582	0.2
70.26788	0.2
70.27191	0.3
72.08142	0.2
81.03412	0.6
81.99416	0.1
84.08099	0.1
85.02910	0.8
86.09707	0.1
87.00814	0.2
93.03377	0.3
95.04945	0.3
97.02885	0.3
99.04424	0.2
103.00893	0.1
105.01862	0.1
105.66171	0.1
109.02888	1.0
110.07200	0.1
111.00792	1.0
118.79235	0.1
120.08070	0.2
121.02856	0.9
123.04415	0.2
127.03906	1.5
131.04912	0.2
135.04404	0.2
135.52873	0.1
137.02338	4.2
137.03406	0.3
145.04927	0.3
145.06453	0.1
147.02896	0.1
149.02371	0.5
153.01816	4.3
155.04872	0.4
159.02890	0.3
159.04297	0.1
161.05960	0.3
163.03906	0.7
165.01831	2.1
166.02603	0.3
167.03452	0.1
171.02850	0.1
173.06010	0.5
177.01884	0.1
179.03418	0.2
183.02882	0.8
183.04440	0.3
187.03880	0.4
187.06021	0.1
191.03400	0.1
191.06996	0.1
195.02864	0.2
201.05466	2.0
205.04994	0.3
211.03922	0.1
212.29060	0.1
219.06483	0.2
228.04117	0.2
229.04955	4.8
231.04997	0.2
233.04182	0.1
239.03362	0.2
247.06001	0.7
257.04446	3.0
274.04755	0.9
275.05392	0.1
285.03928	1.4
286.04749	0.2
286.89264	0.1
303.04965	100.0
304.05313	1.8
465.10315	1.3
551.10132	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	551.1033
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
53.03939	0.2
55.01866	0.2
60.89422	0.1
65.03925	0.3
67.01842	0.2
68.99778	0.8
69.03431	0.6
69.72577	0.5
70.06595	0.9
72.08160	0.8
74.06089	0.2
81.03423	0.7
84.04489	0.5
84.08136	0.4
85.02901	1.1
86.09702	0.5
87.00813	0.2
91.05457	0.2
93.03387	0.2
93.07117	0.1
95.04964	0.3
97.02883	0.4
98.21492	0.2
99.04433	0.2
101.07149	0.2
103.05408	0.1
105.01865	0.2
105.07047	0.2
107.04959	0.1
107.51579	0.1
107.68644	0.1
109.02895	1.1
111.00801	1.3
117.06995	0.1
119.08439	0.1
120.08102	0.4
121.02866	1.0
123.04438	0.3
127.03912	1.3
129.10226	0.2
131.04909	0.2
135.04463	0.2
136.07536	0.2
137.02342	3.9
137.03368	0.2
137.05957	0.2
145.04941	0.4
145.06483	0.2
149.02367	0.6
152.07048	0.1
153.01828	4.3
155.04901	0.2
157.06483	0.2
159.02875	0.3
161.05995	0.4
163.03925	0.8
165.01851	2.1
166.02556	0.2
167.03474	0.2
171.03014	0.1
173.05983	0.5
173.12895	0.2
177.05458	0.2
183.02866	0.7
183.04372	0.2
187.03917	0.3
187.06064	0.1
191.03346	0.3
191.07167	0.1
191.35753	0.1
191.47731	0.1
194.09497	0.1
195.02930	0.3
201.05449	1.7
205.04974	0.3
207.03035	0.1
213.05626	0.2
215.03455	0.2
217.05028	0.2
219.02997	0.2
219.06621	0.2
228.04213	0.3
229.04970	4.9
231.04897	0.2
231.11421	0.1
247.05965	0.8
257.04440	3.1
274.04779	0.9
275.05368	0.3
285.03983	1.4
303.04980	100.0
304.05322	2.1
308.57794	0.1
345.05923	0.2
388.63608	0.1
465.10388	1.0
551.10413	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	551.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
54.23084	1.2
55.01870	20.2
55.80351	1.0
57.03437	1.2
67.05485	1.5
69.03410	5.3
69.83801	4.8
70.06578	2.2
71.04974	1.1
73.92844	1.0
79.05484	6.8
81.03407	6.2
84.04433	1.1
85.02902	10.9
86.09706	4.4
87.00802	4.0
91.05472	3.6
93.07039	1.4
95.04966	3.0
95.08608	1.3
97.02893	6.3
99.04439	1.6
103.05480	2.5
104.10722	3.7
105.01865	2.0
105.07018	4.5
105.10995	1.3
107.04947	88.2
109.02850	3.6
109.06455	1.4
119.04861	1.6
119.86952	1.2
120.08110	1.2
121.06503	14.2
123.04411	1.9
123.08044	1.3
125.00019	1.8
127.03894	5.8
131.04922	19.4
133.06487	2.5
137.05980	3.2
137.09564	1.2
145.04898	2.1
145.06493	1.5
147.04419	2.5
148.08888	1.1
149.05991	15.3
151.07523	5.2
153.05460	1.3
155.07024	61.5
159.02876	2.7
161.05988	1.5
167.07068	9.0
173.06013	2.4
179.07004	11.4
181.08604	7.8
184.07359	4.6
191.07051	2.5
197.06207	1.6
197.08057	12.7
209.08075	24.0
215.07074	1.4
221.08183	1.1
225.09114	1.9
253.08524	4.7
257.08051	2.4
257.11749	1.8
263.09018	1.4
285.11203	51.5
303.05133	5.1
303.12256	100.0
327.12192	2.2
351.12097	3.0
354.72079	1.0
393.13129	1.8
551.28131	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	550.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61097	0.7
55.05502	2.5
56.05028	1.0
60.08161	15.4
67.05521	1.2
69.07070	2.5
71.07383	6.1
71.53413	0.9
80.65914	0.8
81.07053	2.3
82.15290	0.8
83.08616	2.4
86.09705	46.6
92.82076	0.9
93.06999	1.2
95.08586	1.7
97.10122	1.1
98.98489	4.5
104.10739	91.3
109.70475	0.8
124.99999	23.9
167.45837	0.8
184.07338	100.0
219.26849	1.0
256.26321	1.1
258.10992	2.0
367.31888	1.3
458.36682	1.3
532.37433	6.9
550.38623	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	551.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03712	0.2
53.03946	1.8
54.52052	0.1
55.01873	1.7
55.05502	0.4
56.05033	0.3
56.76943	0.1
57.03435	1.2
60.04522	0.2
61.02927	1.2
61.73424	0.2
68.99788	1.5
69.03426	6.7
69.07049	0.2
69.80347	0.8
70.06586	1.9
70.41187	0.1
71.01331	0.2
71.05007	1.0
72.08157	1.2
73.02913	1.3
74.06049	0.2
76.65720	0.1
81.03416	8.2
83.01353	0.3
83.59852	0.1
84.04494	0.6
84.08155	1.1
85.02903	11.9
86.09702	1.9
87.00826	6.1
87.04463	0.2
91.03950	0.6
91.05475	0.3
91.48784	0.1
93.07004	0.2
95.04962	0.3
97.02888	4.2
98.21611	0.1
99.04453	2.8
102.05505	0.2
103.05454	0.3
105.01863	3.1
105.03352	0.2
105.07039	0.2
105.86807	0.1
107.04960	0.3
109.02876	7.4
110.06016	0.2
110.07140	0.3
111.00799	0.9
117.01861	1.2
120.08119	0.9
121.02847	1.0
121.06370	0.2
123.04379	0.4
127.03913	8.9
129.01843	0.9
129.10231	0.5
131.04919	0.5
135.02827	0.2
135.04395	0.3
136.07556	0.4
137.02327	3.3
137.05978	0.4
145.02824	0.5
145.04950	3.2
145.06256	0.2
145.06517	0.2
147.02849	0.7
147.04416	0.2
149.02319	0.5
152.07051	0.2
153.01825	3.9
155.04910	0.3
159.02884	4.3
161.05986	0.4
162.07585	0.1
163.03839	0.7
165.01833	2.1
166.02570	0.3
167.07030	0.3
173.05975	0.7
173.12880	0.2
177.03996	0.2
177.05501	0.4
183.02893	0.9
183.04323	0.3
183.14854	0.2
187.03842	0.3
191.06993	0.2
195.02930	0.1
201.05461	2.5
201.12349	0.1
207.02856	0.2
213.03888	0.3
215.03297	0.2
216.59221	0.1
219.06477	0.3
228.04132	0.2
229.04964	4.6
231.05019	1.0
247.06125	0.7
255.11415	0.2
257.04456	2.7
274.04605	0.8
275.05396	0.2
285.03934	1.5
302.04333	0.3
303.04971	100.0
304.05334	1.2
345.05811	0.3
357.10739	0.3
389.13409	0.3
389.18182	0.2
551.20142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.6
56.05034	0.6
60.04524	0.9
63.02383	0.5
69.03423	9.4
70.06590	4.8
72.08152	5.2
74.06071	0.8
81.03414	0.4
81.17057	0.3
84.04501	1.5
84.08146	1.5
85.02889	0.8
86.09701	5.4
87.05608	0.3
88.03965	0.3
89.03907	3.7
91.05475	1.0
95.04996	0.3
97.02879	1.1
101.07082	0.4
102.05531	1.0
103.05441	0.3
106.04134	0.5
107.04972	0.4
109.02829	0.5
110.07181	0.8
116.07079	1.1
117.03374	16.5
119.04947	0.8
121.06432	0.3
124.05180	0.3
127.03902	4.9
128.10725	0.3
129.10243	1.0
130.05048	0.4
131.04892	0.6
134.03641	1.0
135.04425	1.6
136.07590	0.5
137.05986	2.9
145.02837	45.5
146.03191	0.7
146.05997	0.4
147.04407	1.1
148.06061	0.4
149.05963	6.1
152.07043	0.8
155.04941	0.3
155.08194	0.3
159.11433	0.4
162.03146	0.4
162.05486	0.4
163.03896	2.2
164.07057	25.8
165.07465	0.3
169.06357	0.3
171.07657	0.6
173.12871	0.8
175.07472	0.3
177.05460	100.0
178.05836	1.4
181.04877	0.6
183.11343	0.3
186.05490	1.4
187.07452	0.5
187.10811	0.5
187.14415	0.3
189.05441	0.4
189.08617	0.4
191.07077	0.3
195.06512	1.2
201.12277	0.7
203.07076	0.3
205.04877	0.3
206.08263	0.3
207.06456	0.4
210.07605	24.8
211.07651	0.4
215.07040	0.7
215.13840	0.3
219.06296	0.4
229.84203	0.3
231.06461	0.5
233.07959	0.5
261.07571	1.2
261.14346	0.5
264.69507	0.3
270.14557	1.4
288.15466	1.1
303.08398	0.3
321.09634	5.6
339.10724	6.5
548.17773	0.6
548.29034	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	548.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01863	0.6
55.05513	4.6
57.03439	3.7
57.07077	2.5
60.08162	0.4
62.06064	0.5
67.05182	0.4
67.05505	5.0
69.07068	6.9
69.97057	1.5
71.04985	1.2
71.08639	2.3
79.05486	3.0
81.06589	0.7
81.07058	9.1
83.04963	0.5
83.08619	3.9
85.06546	1.1
86.09715	2.4
91.05484	1.6
93.07044	6.4
95.04959	1.3
95.07993	0.4
95.08611	9.5
97.06526	2.2
97.10155	1.6
98.98458	3.0
99.08090	1.0
105.07034	2.7
107.08596	10.7
109.06495	4.3
109.10157	4.2
111.08092	1.8
119.08585	4.2
121.10137	7.2
123.08066	13.1
123.11715	1.6
125.00042	1.6
125.09595	0.6
131.08563	0.9
133.10133	2.8
135.11664	2.3
137.09605	1.5
137.13261	0.7
142.50922	0.4
145.10104	0.9
147.11673	1.7
149.09615	0.7
149.13272	2.3
151.11137	0.4
151.14890	0.6
159.11690	0.6
161.13254	0.7
163.14804	1.1
165.12842	0.7
167.14305	2.3
173.02144	0.4
173.13303	0.7
175.14790	0.8
177.16373	3.9
179.14316	17.7
181.15894	0.7
184.07335	7.2
191.21140	0.3
193.15929	1.3
216.06357	1.3
231.15851	0.5
235.20567	0.4
263.20099	0.9
277.21634	3.5
291.23193	1.3
293.21210	0.6
305.28461	0.7
333.27890	15.9
348.26657	0.5
349.27509	1.0
351.28970	7.2
371.29474	1.0
376.32111	1.4
389.30490	3.3
407.31564	100.0
408.32047	1.7
487.28094	1.1
505.29333	2.4
548.39880	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	549.1239
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.79910	0.1
53.03946	1.3
55.01866	1.2
57.03426	0.6
61.02925	0.8
65.03948	0.1
67.01844	0.1
68.99794	0.6
69.03429	4.5
71.05000	0.7
73.02919	1.1
81.02932	0.3
81.03416	5.1
81.07064	0.2
83.01340	0.1
84.08128	0.1
85.02902	6.7
87.00829	3.4
91.03924	0.4
91.05463	0.1
93.07055	0.2
95.04957	0.2
97.02885	2.8
99.04453	1.7
103.05408	0.2
105.01862	2.1
105.03363	0.2
107.04947	0.9
109.02875	4.4
117.01855	0.9
119.08581	0.1
121.02864	1.7
123.04413	0.3
124.01553	0.3
125.02345	0.4
127.03915	6.2
129.01828	0.5
129.10165	0.1
133.02884	0.3
137.05980	0.2
141.05411	0.2
145.04959	1.7
147.02853	0.4
147.04417	0.3
151.03896	0.6
159.02890	2.6
167.03406	2.3
167.06982	0.2
179.03423	1.0
181.04967	1.5
197.04443	0.4
199.07539	0.3
212.04759	0.3
227.07057	0.6
231.04898	0.8
245.08127	0.5
255.06473	0.5
257.04398	0.5
258.02521	0.3
258.05240	4.9
272.06808	0.5
273.07623	0.3
286.04700	3.8
286.07770	0.3
286.45325	0.1
287.05084	0.2
300.06174	0.2
301.07053	100.0
302.07373	1.1
343.08105	0.2
414.56699	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01873	4.4
55.05500	0.3
57.03422	1.6
61.02923	1.8
67.01855	0.4
67.05482	0.7
68.99783	1.5
69.03428	7.3
69.16906	0.3
70.00810	2.1
70.06581	0.8
71.04983	1.2
72.08144	0.5
73.02910	1.8
79.05495	5.6
79.05924	0.7
81.03412	9.9
81.07061	0.5
84.04491	0.4
85.02900	17.7
86.09698	0.9
87.00829	6.8
91.05473	1.8
93.07056	0.9
95.04953	2.4
95.08599	0.5
97.02888	6.7
99.04456	3.8
103.03876	0.4
103.05433	0.7
105.01864	3.6
105.07029	1.7
107.04948	70.5
108.05286	0.7
109.02866	6.9
109.57178	0.4
115.05453	1.1
117.01842	1.6
117.06996	0.7
119.04955	0.9
121.02835	0.4
121.06501	0.6
125.02290	0.4
127.03909	9.4
129.01814	1.0
129.10248	0.6
131.04915	4.4
133.06459	2.4
137.05956	1.2
139.07552	0.6
141.05464	2.7
144.05647	0.6
145.04944	3.9
145.06512	0.5
147.02936	0.5
147.11699	0.5
149.05992	0.8
151.07518	2.7
153.05473	0.7
157.06476	2.1
159.02904	4.1
161.05957	1.7
165.05482	0.7
167.03409	3.9
167.07051	3.4
168.03676	0.6
173.05986	0.7
177.05461	1.2
179.07021	1.5
184.07332	0.7
185.04439	0.7
185.06010	1.2
193.04944	2.8
195.06519	34.2
197.06067	0.5
207.06511	35.1
208.06847	0.5
215.06889	0.4
219.06464	0.6
229.08575	0.6
231.04895	0.6
265.08615	0.7
283.09631	54.9
284.10123	1.0
295.09686	4.1
299.09225	0.4
301.10681	100.0
302.11072	2.5
313.10568	0.5
321.11197	1.3
325.10684	7.6
329.98584	0.4
335.12851	0.7
343.11780	1.5
349.10654	1.7
363.12241	0.9
367.11774	3.3
381.12454	0.4
391.11682	4.7
409.12918	4.4
427.14139	0.4
443.03217	0.4
495.12820	1.2
513.13898	0.9
572.68665	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	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.8
55.05510	5.1
57.03437	4.3
57.07053	2.2
62.06068	1.1
67.05504	7.5
69.07069	8.7
69.54820	0.6
69.91312	0.7
70.64478	2.3
71.04990	1.4
71.08628	4.1
79.05492	4.1
81.07052	12.6
83.04980	1.3
83.08605	3.4
85.06529	1.7
91.05489	4.6
93.07047	7.7
95.04947	0.8
95.08605	8.2
97.06510	2.6
97.10169	1.0
98.98450	3.3
99.08083	3.2
105.07018	7.0
107.08586	8.6
109.06506	7.9
109.10127	4.1
111.08083	2.6
119.08568	9.1
121.06467	1.3
121.10142	5.9
122.07323	0.7
123.08050	14.3
123.11691	2.9
125.09652	1.2
125.85549	0.7
131.08562	3.2
133.10114	8.8
135.08051	8.7
135.11650	2.1
137.09622	1.9
143.08638	0.8
145.10112	3.9
147.11694	5.2
149.09636	1.8
149.13251	2.6
157.10088	1.5
159.11685	2.9
161.09633	1.5
161.13313	1.7
165.12793	1.7
167.14246	1.3
171.11797	0.7
173.13362	1.0
175.14865	6.2
177.12741	4.1
177.16313	0.7
179.14296	23.6
184.66278	0.8
191.14293	1.0
193.15875	1.7
199.14827	0.9
205.15955	4.8
216.06352	1.6
226.53874	0.7
229.39841	0.7
263.20099	1.3
271.20584	1.4
275.20114	1.1
289.21619	7.0
293.21118	2.7
303.26941	1.1
319.22568	1.7
331.26282	14.0
337.23553	1.2
347.25787	1.2
349.23523	1.0
349.27432	7.0
349.31433	1.0
361.27127	0.9
369.27744	1.0
374.30658	1.6
375.28986	2.6
387.28854	7.4
405.29971	100.0
406.30365	3.7
485.26590	1.1
503.27301	4.4
546.31628	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	546.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68296	3.9
55.05497	10.3
57.21077	3.8
67.05495	22.7
69.03402	4.6
69.07053	14.7
69.92384	9.4
69.92807	13.6
70.06600	4.9
71.04977	6.9
73.30147	4.5
77.23879	4.1
79.05475	15.8
79.89788	3.4
81.03386	10.7
81.07050	27.3
83.04957	10.3
83.08633	5.6
85.02889	14.4
86.09686	6.7
91.05461	17.9
93.07030	27.2
95.04974	4.7
95.08592	16.1
97.02900	7.7
97.06533	5.4
98.21497	5.3
105.07033	32.4
107.04928	6.5
107.08614	20.9
109.02859	8.3
109.06502	14.6
109.10156	9.0
119.08572	15.6
120.08108	5.6
121.06497	15.3
121.10065	12.0
123.08027	10.0
127.03910	36.6
129.06970	4.8
131.08530	15.2
133.10130	20.4
135.08049	8.2
135.11700	4.7
143.08508	6.4
145.10110	11.6
147.08040	6.1
147.11674	14.1
149.09630	6.7
151.11197	6.6
157.10043	7.1
159.11610	9.9
163.11162	9.1
173.13148	5.7
173.25140	3.9
194.91077	4.5
239.18199	4.6
247.20270	4.1
257.18994	13.1
275.20059	100.0
293.21082	34.3
335.22177	11.1
349.23779	38.0
367.24707	10.3
383.22107	5.0
401.23123	11.4
405.29959	10.4
419.24286	34.5
437.25372	37.0
493.27567	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	548.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05029	0.6
59.60950	0.3
60.04515	0.5
61.33904	0.3
63.02383	0.4
69.03429	9.1
69.85912	1.7
70.06590	3.6
72.08164	1.9
73.91492	0.3
74.06081	1.0
76.29304	0.3
81.03402	0.6
84.04504	1.5
84.08141	1.4
85.02901	0.9
86.09703	2.7
89.03921	3.9
91.05473	1.0
97.02884	0.9
98.21458	0.4
101.07122	0.5
102.05533	0.5
105.03397	0.4
107.04933	0.6
109.02876	0.9
110.07149	1.3
116.07028	0.3
117.03376	13.7
119.04920	0.7
120.08089	0.3
123.04470	0.4
127.03912	4.8
129.10219	0.7
131.04866	0.4
134.03629	0.8
135.04469	2.3
136.07613	0.5
137.05988	2.3
145.02844	43.4
146.03159	0.3
146.06006	0.8
147.04413	0.9
148.06042	0.3
149.05965	5.4
152.07057	0.8
162.05504	0.5
163.03920	1.9
164.07066	27.2
166.08669	0.4
169.09608	0.4
173.12851	0.6
175.03914	0.7
177.05466	100.0
178.05791	0.9
186.05489	1.4
187.07440	0.4
187.14432	0.8
195.02409	0.3
195.06532	1.2
199.07515	0.4
201.05484	0.4
210.07610	25.4
217.08400	0.4
233.07977	0.4
237.95435	0.4
244.09691	0.3
261.07529	1.0
273.03854	0.4
321.09671	6.2
334.88751	0.3
339.10754	6.6
548.27734	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	546.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81731	0.1
55.01869	0.3
56.05010	0.2
61.01149	1.0
65.03928	0.7
67.05494	0.2
69.03413	0.2
69.07049	0.5
69.58167	0.9
69.58585	0.2
70.02954	0.3
70.06591	2.2
71.06100	0.3
72.04511	1.7
72.08146	1.7
73.02915	0.3
74.06059	0.4
76.02231	0.2
77.00584	0.2
78.03785	1.7
84.04498	0.8
84.08139	0.8
85.02900	0.4
85.06506	0.3
86.06065	0.4
86.09698	4.5
86.35320	0.1
87.05593	0.2
88.02209	1.2
88.03976	0.2
89.03925	0.2
91.05473	6.3
94.06524	0.2
98.02411	0.4
98.06063	0.3
98.21407	0.2
99.05558	0.5
102.03755	2.8
102.05537	0.5
104.01669	0.4
107.04914	0.2
110.07167	0.4
113.06012	0.5
114.03750	1.4
115.05089	0.2
117.03381	0.2
118.03223	0.2
119.04935	17.9
120.01152	0.2
120.08092	0.5
121.06505	0.3
123.04385	0.3
124.07597	0.5
125.07053	0.2
127.03865	0.2
129.10243	0.6
130.03223	0.5
130.05002	0.2
130.08578	0.3
131.06375	1.9
132.04784	2.5
132.10216	0.4
134.06015	0.2
135.04422	0.3
136.07579	0.4
141.06526	0.4
142.08626	1.6
145.02861	0.6
147.04398	100.0
148.04715	0.9
149.07430	11.5
152.07074	0.5
157.13303	0.2
158.02693	0.5
159.05864	0.6
159.09192	0.2
159.52835	0.2
164.07047	0.4
167.08188	0.2
171.11317	0.2
175.05362	1.0
177.05557	1.0
183.11296	0.3
184.09621	1.2
187.10760	0.3
197.12833	0.3
201.12344	0.3
202.10594	0.2
206.06378	0.5
218.08102	13.8
219.08360	0.2
227.14218	0.2
238.49223	0.2
243.11635	0.5
253.09966	0.2
261.12683	6.3
277.10114	0.5
295.11090	24.1
296.11395	0.3
312.98309	0.2
326.17026	0.2
368.28391	0.2
407.16382	4.0
408.16187	0.2
416.13049	21.8
417.13345	0.5
428.26157	0.2
518.06934	0.2
528.18329	6.3
528.26263	0.4
529.18243	0.2
546.18964	0.7
546.32764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05034	1.1
57.05812	0.3
58.06593	0.6
63.38554	0.2
69.03438	0.3
69.07063	6.6
69.53938	1.4
69.54362	0.7
70.06583	4.5
72.08155	3.1
74.02426	0.7
74.06061	0.5
75.05600	4.2
84.04498	9.6
84.08141	1.6
85.02923	0.3
86.09698	100.0
87.05582	0.5
87.10020	0.9
88.03977	1.7
91.05470	0.7
97.02841	0.3
97.06570	0.4
98.20731	0.4
102.05534	4.3
110.07159	0.7
116.03477	0.9
119.04899	0.5
120.08126	0.6
127.08643	0.3
129.10220	1.5
131.04730	0.3
132.10236	0.4
134.04474	8.0
135.04382	0.3
136.07585	0.7
137.05928	0.3
143.11781	17.7
145.02802	0.3
147.04405	0.7
148.06050	0.5
152.07068	0.6
159.07594	0.3
159.09190	0.4
167.06952	0.3
168.77231	0.4
171.11266	8.5
177.05452	0.7
178.54655	0.3
181.06116	1.1
182.04469	0.5
187.07109	0.6
199.07126	0.8
199.10701	0.3
199.18094	0.6
201.03499	0.2
215.13873	4.4
227.06590	1.6
229.11803	0.4
239.17491	2.2
243.13383	15.2
245.07664	13.3
263.08737	5.3
284.19678	8.8
300.15582	1.1
304.06525	0.3
345.65463	0.3
358.16312	1.2
368.21915	0.3
376.17108	5.6
385.24423	1.4
413.23862	2.5
471.44836	0.3
479.02444	0.3
514.96765	0.3
546.26880	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	546.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.05517	4.8
57.03443	3.6
57.07048	1.6
67.05505	7.6
67.99516	0.5
69.03414	0.5
69.07069	8.5
69.26904	4.3
69.27324	1.7
71.04978	1.0
71.08623	4.1
79.05494	3.9
81.07053	11.8
83.05009	0.8
83.08628	3.9
85.06503	1.1
91.05479	3.9
93.07043	7.5
95.04969	0.7
95.08601	10.9
95.86250	0.5
97.06536	2.8
97.10183	1.0
98.98476	3.2
99.08085	2.4
105.07028	8.5
107.08594	10.4
109.06516	7.3
109.07201	0.9
109.10164	3.6
111.08080	0.7
111.21469	0.5
117.06982	1.5
119.08575	8.5
121.06496	0.6
121.10129	5.3
123.08058	17.4
123.11694	1.6
125.09615	1.8
129.07007	0.6
131.08527	2.6
133.10132	8.3
135.08037	7.4
135.11684	2.5
137.09610	1.5
137.13245	0.7
143.08600	0.7
145.10130	3.1
147.11681	4.5
149.09615	2.5
149.13260	2.3
151.11174	0.6
155.08551	0.5
157.10107	1.3
159.11707	2.9
161.09630	1.6
161.13248	1.6
161.36026	0.5
163.11157	1.0
165.12779	1.0
167.14310	1.5
173.13249	0.8
175.14821	7.5
177.12738	3.6
177.16394	1.1
179.14299	23.3
191.14334	0.8
191.81981	0.5
193.15906	1.4
197.13441	0.5
198.05164	0.7
205.15825	3.2
216.06378	0.7
231.16132	0.6
233.19051	0.6
247.20703	0.6
251.86021	0.5
259.09247	0.5
261.22083	0.6
263.20145	1.5
275.20105	1.5
277.21411	0.6
289.21692	6.1
289.24805	1.1
293.21121	2.4
303.26907	2.0
319.22711	1.7
331.26321	13.4
332.26773	0.8
337.23718	1.1
347.25925	1.1
349.23532	0.7
349.27402	6.7
361.27533	1.6
369.27942	1.2
374.30502	2.0
375.28979	2.2
387.28955	5.6
405.29977	100.0
406.30249	3.6
485.26978	0.6
503.27591	5.4
546.31696	0.7
546.39081	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01861	3.6
55.05512	33.1
57.03426	6.2
57.07069	2.2
59.05011	1.6
65.03925	4.1
67.05502	57.8
69.03419	3.7
69.07063	15.9
70.29778	2.6
70.30173	3.1
71.04980	5.8
71.08622	1.9
79.05490	39.6
81.03418	22.1
81.07053	59.6
83.04980	6.0
83.08615	18.8
85.02917	1.4
85.06532	2.7
91.05477	30.2
92.82310	1.4
93.07040	44.7
95.04966	22.3
95.08604	38.9
97.06532	4.2
97.10168	19.2
99.08061	1.9
105.07029	31.6
107.04961	8.7
107.08588	26.4
109.06512	4.4
109.10158	30.7
109.10854	0.8
111.08067	3.8
117.07013	16.9
119.08580	26.1
121.06485	7.2
121.10109	15.8
123.08073	3.9
123.11707	10.2
125.09631	16.9
129.07025	6.8
131.08563	23.6
133.06532	1.6
133.10130	18.6
135.08043	5.9
135.11685	13.2
137.09645	3.8
137.13249	2.1
139.11195	1.4
141.06982	2.0
142.07745	1.3
143.08540	8.6
145.06476	2.5
145.10098	15.3
147.08049	3.7
147.11679	16.0
149.09642	5.1
149.13260	4.6
153.09096	1.5
153.12813	1.5
155.08629	3.1
157.10121	11.3
159.08112	1.5
159.11670	12.9
161.09659	2.4
161.13240	5.8
163.11147	4.0
163.14780	1.7
167.08582	1.8
169.10129	3.2
171.11714	6.5
173.09669	2.3
173.11951	1.5
173.13257	9.0
175.11226	3.5
175.14813	3.2
177.12784	1.7
179.08632	1.5
180.58411	1.6
181.10045	1.6
183.11728	5.2
185.13300	5.1
187.14760	6.4
189.11221	9.1
189.16328	3.9
193.12257	11.1
195.11787	1.7
197.13380	2.0
201.16420	1.7
211.13216	2.7
211.14983	2.1
213.16452	2.6
227.12746	15.6
227.18115	1.6
233.15405	3.2
243.21115	2.0
247.17039	2.0
259.20807	1.4
261.18576	2.3
261.22189	13.6
267.15903	23.4
275.20004	2.0
278.99863	1.4
279.19409	2.6
279.23276	2.7
285.22144	3.7
287.20071	2.9
293.21362	1.7
295.22662	1.6
299.23666	3.1
301.21921	3.5
301.25211	22.1
317.24799	1.7
335.25836	15.3
343.22638	1.8
359.25760	3.4
398.99304	1.5
403.24640	2.0
417.31418	2.6
421.25714	3.3
435.27286	2.3
435.32584	8.1
453.33636	15.6
471.34772	10.6
489.36029	1.7
509.36362	2.7
527.37311	64.3
545.38361	100.0
546.39008	2.4
574.05286	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01855	6.1
55.05510	37.0
55.89373	1.6
57.03436	11.6
57.07066	3.3
58.98685	1.6
61.38128	1.6
62.01262	1.7
65.03934	3.0
67.05501	67.9
69.03421	3.6
69.07063	21.5
69.46592	14.8
71.04984	2.9
79.05027	1.5
79.05491	42.5
81.03411	23.8
81.07051	62.4
83.04979	4.5
83.08624	19.5
85.06536	4.5
86.09692	6.1
87.10048	2.3
87.63740	1.4
91.05479	38.4
93.07038	44.3
95.04959	23.4
95.08610	44.6
95.69469	1.5
97.06501	4.1
97.10160	19.7
99.08073	1.8
103.05418	2.4
105.07026	33.0
107.04967	7.6
107.08582	32.2
109.06526	7.0
109.10159	23.2
109.53893	1.4
111.08074	4.6
117.06990	15.3
119.04982	1.9
119.08566	24.9
121.06500	8.5
121.10141	20.7
123.08055	5.9
123.11709	10.4
125.09615	13.2
129.07007	11.9
131.08565	26.3
133.06520	2.6
133.10135	21.5
135.08014	8.4
135.11665	11.2
137.09665	2.5
137.13229	2.0
141.06963	3.6
143.08551	11.9
145.06580	1.9
145.10123	18.1
146.98160	8.3
147.08017	4.6
147.11703	15.1
149.09641	6.3
149.13245	6.5
151.11142	2.1
155.08575	5.0
155.54137	1.6
157.10129	12.8
159.08034	2.0
159.11685	12.6
161.13258	6.0
163.11145	3.3
163.14790	3.6
165.12791	2.0
169.10152	5.1
171.10365	2.5
171.11719	7.3
173.09549	2.4
173.12021	1.9
173.13246	10.9
175.11250	2.8
175.14859	5.4
181.10123	2.3
183.11710	2.9
185.13287	6.0
187.11263	1.8
187.14783	3.3
189.11240	11.8
189.12715	3.6
189.16350	1.9
193.12221	12.9
197.13197	3.8
199.14832	4.6
201.16377	2.9
211.14980	2.6
213.16364	2.0
227.12758	15.9
233.15431	2.8
243.15952	2.7
243.21086	2.9
247.16989	2.4
261.22229	11.1
267.15894	21.4
275.20209	1.9
279.23367	3.8
283.24506	1.6
285.22180	3.5
287.20267	2.2
299.23825	2.8
301.21912	3.3
301.25104	19.0
303.23218	2.1
317.24976	2.5
335.25708	14.0
359.25684	2.8
399.44296	2.2
421.26038	3.9
435.27560	2.5
435.32489	8.6
453.33646	19.6
471.34937	12.4
485.26755	2.0
486.26740	6.7
509.36929	2.9
527.37299	57.3
545.38458	100.0
546.38629	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01865	4.9
55.05508	36.7
57.03439	9.9
57.07046	3.4
59.04987	3.1
62.89622	1.6
65.03928	3.7
67.05501	61.5
69.03426	3.1
69.07059	18.8
69.20551	18.1
71.04990	3.9
79.05489	42.6
81.03415	22.7
81.06599	3.2
81.07051	57.9
83.04968	4.8
83.08617	22.3
85.06540	3.2
87.68192	1.5
91.05468	32.5
92.69232	1.6
93.06487	3.4
93.07034	39.3
95.04951	21.1
95.08598	43.4
97.06522	5.9
97.10156	24.3
99.08051	1.7
105.07027	30.4
107.04941	5.7
107.08576	27.1
109.06513	4.1
109.10142	25.8
111.08063	4.9
117.07012	11.6
119.08558	27.5
121.06509	8.9
121.10127	18.3
123.08040	5.7
123.11684	7.5
125.09623	17.7
129.07028	8.1
131.08554	27.8
133.06508	3.6
133.10117	22.2
135.08086	8.1
135.11647	13.5
137.09583	4.3
139.11159	2.0
141.07002	2.3
142.07729	2.4
143.08534	8.3
145.06479	3.1
145.10115	19.7
147.08032	2.7
147.11682	14.6
149.09622	6.2
149.13226	5.4
151.11153	2.0
153.09038	1.8
155.08530	3.6
157.10097	11.6
159.11659	15.2
161.09599	2.7
161.13223	8.1
163.11153	3.6
163.14902	2.9
169.10159	3.4
171.11670	6.8
172.95190	3.3
173.11974	1.6
173.13264	9.7
175.11197	5.5
175.14822	5.0
183.11656	4.6
185.13298	4.5
187.11160	1.6
187.13367	1.8
187.14836	5.6
189.11243	11.2
189.12689	2.4
189.16423	3.0
193.12184	8.3
195.11681	2.8
197.13258	3.7
199.14825	2.2
201.16557	2.1
205.15895	1.9
213.16344	3.1
213.31209	1.9
227.12769	13.6
233.15407	2.9
233.18932	1.5
243.21181	3.0
247.16885	4.2
249.18744	1.7
259.16711	2.2
259.20685	2.3
261.22089	13.2
267.15808	20.6
273.18512	1.9
273.21872	2.0
279.23123	3.0
283.24008	1.9
285.22101	4.9
287.20001	1.8
291.42917	1.8
299.23605	2.0
301.25223	21.5
303.23160	2.4
317.18045	2.5
317.24850	3.6
335.25748	15.7
359.25784	3.3
421.25766	3.8
435.27377	3.5
435.32642	11.5
453.33688	16.9
471.18124	2.3
471.34900	14.7
509.35980	2.8
527.37299	66.0
528.37653	3.3
545.38342	100.0
546.38861	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
53.89630	1.5
54.17997	1.5
55.01867	3.9
55.05508	28.6
57.03421	7.0
57.07067	1.9
65.03931	5.9
67.05504	60.8
67.48700	1.5
69.03420	5.6
69.07069	14.5
70.70132	3.8
71.04980	6.1
79.05491	49.7
81.03418	42.9
81.07053	60.9
83.04971	7.5
83.08618	17.7
85.02889	21.5
85.06524	2.4
91.05479	43.2
93.07036	56.9
95.04972	21.2
95.08603	30.6
97.02862	1.8
97.06528	6.1
97.10163	8.1
104.10715	2.8
105.04526	2.1
105.06322	2.5
105.07027	36.4
107.04934	5.2
107.08593	26.4
109.06515	4.5
109.10156	14.9
111.04443	2.2
111.08083	9.3
113.05996	1.7
115.05436	2.1
117.07014	6.5
119.08574	27.6
121.10133	24.9
123.08084	2.9
123.11718	6.4
125.09639	7.6
128.37630	1.6
129.06993	9.4
129.92499	1.6
130.07791	2.1
131.08566	21.2
133.06508	3.6
133.10127	15.2
135.11691	13.6
137.09633	3.3
137.13200	1.8
143.08565	4.4
145.10150	11.1
147.08008	2.2
147.11688	15.7
149.09624	5.6
149.13289	5.7
154.20407	1.8
155.08600	2.8
157.10144	11.5
159.11696	11.6
161.13275	6.2
163.11185	1.7
165.12758	3.9
169.10133	3.4
171.11769	2.4
173.13283	5.0
175.11168	12.0
183.11685	2.2
185.13310	3.7
187.14899	2.3
193.12239	45.2
193.13893	3.0
199.14847	1.8
211.13275	46.1
227.12752	4.8
261.22223	6.0
267.15903	6.8
301.25244	3.5
335.25873	2.1
358.08173	1.9
432.60052	1.6
435.32620	3.8
453.33661	4.8
471.34860	2.9
526.21179	1.8
527.37341	21.1
545.38403	100.0
546.38373	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	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.8
53.03920	3.3
55.01847	2.4
55.05282	1.0
55.05510	12.9
57.03418	2.2
57.07055	0.9
65.03915	2.1
66.21406	0.7
67.05503	34.0
69.03391	1.4
69.07065	8.6
69.61382	0.6
69.61742	5.4
71.04974	2.8
73.02882	1.5
77.03900	0.9
79.05490	38.4
81.03397	1.9
81.07054	34.5
83.04958	3.2
83.08608	8.8
85.06504	1.2
91.05475	18.7
93.07041	52.0
95.04470	0.7
95.04974	8.9
95.08603	41.5
97.02872	3.3
97.06531	3.6
97.10149	1.4
98.20752	1.1
99.04462	1.9
103.05438	1.1
105.04540	1.7
105.07024	12.8
107.04945	6.4
107.08589	32.5
109.06472	2.3
109.10150	8.0
111.08066	1.3
115.05485	0.8
117.07009	10.4
119.08578	13.4
121.06525	5.0
121.10131	19.9
123.08106	0.8
123.11720	1.5
125.05954	2.9
129.06995	1.3
130.07782	1.6
131.08556	5.6
133.10123	5.6
133.48924	0.6
135.08047	2.5
135.11685	44.4
139.07455	0.8
143.08560	2.1
145.10115	25.3
147.11667	2.2
149.13242	3.0
153.12637	0.9
156.42168	0.8
159.11684	2.4
161.13231	1.8
163.11177	49.4
163.14836	1.2
173.13255	1.9
181.12228	11.3
187.14720	1.1
189.16212	0.7
192.05833	0.9
209.11700	1.2
212.31326	0.7
227.12778	100.0
228.13080	1.3
230.07100	0.7
243.20987	1.5
251.87170	0.7
261.22134	7.0
275.20306	0.9
283.15289	1.1
317.24686	2.9
326.28809	0.7
543.36780	48.4
543.71167	0.7
544.37390	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	544.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14807	0.8
55.01864	2.9
55.05505	2.6
55.51851	0.8
56.05032	2.2
56.35576	1.0
58.99580	16.9
67.05505	10.4
69.07058	3.5
70.06583	6.7
71.05000	5.6
71.55440	1.8
72.08136	2.5
74.00661	1.4
76.02226	96.5
76.03980	2.7
79.05490	16.2
81.03431	1.6
81.07051	44.8
83.04996	1.5
83.06107	3.7
84.04502	26.8
84.08132	4.0
85.02900	1.2
86.09708	11.4
86.99062	4.9
87.04465	100.0
88.02219	1.9
91.05487	7.3
93.07053	4.3
95.04984	1.6
95.08598	5.4
97.02898	1.7
97.06531	5.3
99.04459	4.7
101.07146	1.9
102.05535	3.2
105.07024	7.9
105.41333	1.1
107.04954	1.3
107.08594	30.3
109.06523	1.9
110.07206	1.3
112.02174	1.1
113.05990	5.8
114.03802	1.1
115.03923	41.2
116.01676	23.6
116.02498	1.1
117.06973	1.4
119.08572	3.4
120.08093	3.3
121.10131	1.9
123.08120	1.5
123.11698	17.7
125.05968	2.3
125.09631	1.5
127.03945	1.2
129.06567	6.4
129.10245	2.9
130.04991	22.3
131.08545	4.7
133.04959	4.3
133.10088	1.6
135.07999	1.2
136.07567	1.1
137.05954	2.4
141.10208	3.5
142.03221	12.2
144.01134	13.5
145.10176	2.2
147.07597	6.1
147.11691	2.1
149.09607	1.9
152.06996	1.4
153.09125	1.3
154.03159	1.2
157.10135	1.8
159.11703	4.9
161.13255	1.4
162.02197	51.7
167.05342	1.2
170.02687	3.2
171.11681	1.1
173.13278	1.6
175.11188	2.6
175.14824	1.4
177.05536	1.5
179.04852	92.4
183.11673	4.1
185.13235	1.1
187.05322	3.2
191.14336	2.9
201.12669	5.2
213.05870	1.2
215.00217	1.1
215.04852	2.0
218.04716	1.1
219.13785	18.8
233.05890	14.4
237.14844	20.3
245.05894	4.1
259.20679	3.1
277.21518	2.0
285.12659	4.7
291.06512	1.8
294.15244	5.6
308.09113	24.7
312.16254	22.0
312.19617	1.8
388.24777	1.4
405.27319	3.9
414.17355	1.1
415.18924	35.2
469.19791	5.4
526.21881	1.5
526.29425	1.6
544.22949	5.0
544.30725	8.0
570.69458	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	542.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01864	1.0
56.05016	1.2
65.03945	0.8
67.05488	3.2
69.07066	1.1
69.19497	1.7
69.19910	8.4
70.06590	13.3
72.08138	3.3
76.75389	0.8
79.05472	2.9
80.05002	1.9
81.03458	0.9
81.05756	1.1
82.06553	2.4
84.04501	2.1
84.08155	5.8
86.09702	6.6
91.05470	4.0
93.05747	1.3
93.07030	9.0
94.06562	12.9
95.04955	2.4
95.07344	12.4
95.08585	1.0
96.07500	1.6
96.08120	25.8
97.06528	2.4
102.05545	1.0
103.05437	3.2
106.06546	1.1
108.08112	19.2
109.08899	1.5
110.06031	1.0
110.07168	1.4
110.09672	47.0
112.08781	0.9
118.06501	1.3
119.04897	1.1
120.08096	39.6
120.08964	1.9
121.06479	2.1
122.06030	1.6
123.06812	2.3
124.07571	2.3
127.03869	0.9
129.10234	3.0
136.07561	13.2
137.05969	1.7
138.05475	3.2
138.09126	54.7
146.04855	1.0
146.05995	16.5
148.07567	11.2
150.09094	1.7
151.07532	5.5
152.06995	1.5
154.08566	1.3
162.05490	0.9
164.07019	1.4
166.04971	2.9
166.08627	100.0
167.08972	0.9
168.10204	1.1
172.03923	2.1
174.05493	3.1
195.04376	1.3
196.09995	0.8
199.08701	1.4
204.06511	2.4
206.08096	4.6
209.10699	1.3
211.08638	2.8
213.10181	2.5
223.08617	2.4
225.10210	5.9
227.08035	3.2
229.04907	2.0
235.08650	1.4
237.08083	1.2
237.10210	11.2
238.07416	1.0
238.10956	2.0
239.08195	6.2
239.11765	3.5
240.09158	1.1
241.09750	5.3
242.10555	0.9
243.11267	1.4
247.08629	1.0
249.10274	2.1
250.08473	1.0
251.08160	4.4
252.08760	1.0
253.09703	15.2
254.08051	1.0
254.10405	1.5
255.07524	1.3
255.11290	5.4
259.09659	11.8
265.09702	25.4
266.10635	1.9
266.13895	1.3
267.07681	4.4
267.11261	9.3
269.09033	2.7
279.07779	1.4
280.08353	1.2
281.09186	15.9
283.10733	15.9
287.10202	3.6
293.09198	18.7
294.10056	1.7
295.10797	21.7
299.10266	6.3
301.11771	6.3
309.08618	3.0
309.12155	1.0
311.10248	17.6
312.21912	0.9
313.11761	8.9
321.08679	9.2
322.07098	1.5
325.11810	1.1
327.09747	17.2
327.13214	1.4
329.11359	1.9
330.12314	1.0
331.13153	1.6
339.09738	25.6
341.11139	5.0
343.12918	1.3
344.13904	1.3
349.18478	1.3
353.11243	4.3
359.12329	32.6
359.16791	1.6
371.12271	18.0
388.16553	3.6
400.16672	1.2
418.17499	4.8
436.18478	2.1
446.16986	10.5
448.18588	3.7
464.18149	32.3
465.18329	1.4
466.19595	8.3
474.16519	5.7
478.19446	2.0
492.17615	62.9
493.17114	2.5
506.19342	7.8
510.18454	1.4
524.20374	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	542.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
55.05504	1.6
56.05035	3.1
58.52680	1.5
59.03732	1.6
59.55770	1.5
67.05492	2.9
67.93336	1.5
68.58682	1.6
69.07080	2.1
69.36993	7.3
69.37423	6.4
70.06593	50.3
71.06892	1.7
72.08164	12.7
74.06070	1.7
79.05495	3.6
80.05003	2.4
81.05779	2.5
82.06595	2.7
84.04496	7.0
84.08157	22.1
85.08485	2.9
86.09710	23.4
88.03997	3.6
91.05477	6.8
93.07034	11.9
94.06573	12.6
95.07355	11.8
96.08126	26.2
97.06525	1.7
102.05529	3.7
103.05467	3.5
105.07004	1.5
108.08128	22.3
110.07181	2.8
110.09682	45.7
112.08739	1.7
115.08665	2.1
116.07081	1.9
119.04981	1.4
120.08100	36.1
122.06061	2.0
124.07569	3.0
129.10268	12.0
130.04997	2.7
134.05882	1.6
136.07582	22.0
137.05988	4.9
138.05519	2.2
138.09142	54.5
143.11882	1.7
146.06029	7.5
148.07570	10.3
152.07050	3.5
154.08638	1.6
159.09160	3.4
162.05452	1.5
166.08640	100.0
167.07019	1.6
174.05495	2.0
175.11310	1.6
194.08212	2.0
197.12840	2.0
206.08159	1.8
211.08716	1.8
211.11916	1.8
211.14297	1.6
213.10245	2.1
217.08282	1.6
223.08620	2.9
224.09323	2.3
225.10245	5.4
227.08160	4.2
231.13417	2.7
237.10214	13.5
239.08156	6.3
239.11813	3.6
241.09749	5.4
247.08662	1.9
251.08151	5.5
253.09727	18.7
255.11328	3.9
265.09744	33.6
266.10513	3.7
267.07767	5.7
267.11261	9.5
269.09183	4.1
277.09424	1.9
281.09265	17.2
283.10825	14.0
287.10294	3.8
293.09183	21.3
294.09979	2.4
295.10785	21.1
298.09860	1.6
299.10294	6.0
301.11697	3.7
309.08774	4.1
311.10333	17.4
313.11508	2.2
321.08688	10.4
325.11911	4.0
327.09787	24.3
327.13287	1.9
339.09744	30.7
341.11316	4.8
353.11127	4.8
359.12366	43.2
371.12369	23.2
372.12906	2.5
388.16437	4.2
400.16519	2.9
418.17502	3.5
446.17209	11.2
448.18646	3.6
464.18182	42.5
466.19150	2.5
474.16583	7.3
476.79767	1.9
492.17685	68.6
493.17722	3.5
506.18692	8.2
510.19208	1.9
519.75763	2.1
524.20300	16.0
542.19971	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	542.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.0
57.07073	33.7
58.10920	0.7
60.91129	0.8
67.05488	2.2
69.07047	2.7
69.08134	0.7
69.91496	0.8
71.08630	24.8
71.12948	1.1
71.13291	1.0
72.51356	0.7
73.02925	0.7
73.06555	7.9
79.05511	1.6
81.07031	2.7
83.08594	3.2
85.10178	19.4
87.04449	3.9
89.06024	100.0
91.05457	3.5
92.23006	0.8
93.07037	2.0
95.04923	1.0
95.08586	2.2
97.10162	3.5
99.11730	4.7
105.07036	1.2
105.83505	0.8
106.73721	0.8
107.07036	3.1
107.08593	1.6
115.20168	0.8
117.09112	4.1
119.08578	1.8
124.19661	0.8
130.08598	2.7
131.07027	2.1
131.08562	1.3
133.08591	47.7
135.10149	1.5
143.08603	0.9
154.06633	0.8
155.17899	5.5
177.11205	19.9
195.12273	1.0
199.20560	3.5
221.13863	3.0
239.14832	1.3
240.23317	1.0
243.23145	7.3
275.81381	0.8
283.17322	2.0
287.25760	4.1
327.20175	2.5
342.63455	0.9
371.22766	5.2
525.40192	8.7
542.41956	1.0
543.36969	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.7
53.03947	4.2
55.01845	2.1
55.05509	14.3
56.42247	0.7
57.03399	2.7
57.07060	1.0
61.52733	0.7
65.03923	1.6
67.05502	31.9
69.07070	9.2
69.93816	3.1
71.04973	2.5
73.02901	1.6
74.37119	0.8
76.59648	0.7
79.05491	42.0
80.91424	0.7
81.03405	1.1
81.07053	32.9
83.04946	2.6
83.08232	0.7
83.08612	7.8
85.06531	1.0
86.47761	0.7
91.05474	20.9
93.07042	55.8
95.04964	9.5
95.08605	43.7
97.02853	3.3
97.06515	3.0
97.10134	1.8
99.04419	3.0
103.05441	1.4
105.04448	1.2
105.07024	14.1
107.04942	6.6
107.08587	32.7
109.06493	2.0
109.10166	7.1
111.08058	1.2
111.59402	0.7
113.06001	0.8
115.05480	1.1
117.07021	10.8
119.08584	12.4
121.06487	5.1
121.09338	1.2
121.10138	20.1
125.05980	2.3
130.07764	2.4
131.08585	5.5
133.10115	6.2
135.08025	2.9
135.11690	40.2
137.09599	1.1
139.07602	1.0
143.08583	1.0
145.10118	23.8
146.71838	0.7
147.11691	1.6
149.13226	2.4
153.12685	1.3
159.11703	3.5
161.13226	1.1
163.11179	51.3
164.11670	0.7
167.96317	0.7
173.13300	1.9
181.12245	11.9
187.14752	1.3
201.12440	0.7
209.11713	2.2
227.12775	100.0
228.50702	0.7
243.21086	0.9
261.22159	5.5
281.52802	0.8
307.13873	0.7
317.24774	1.8
402.95868	0.8
543.36816	52.8
544.37122	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	541.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16456	0.9
55.01858	1.7
55.05497	3.6
56.05021	3.5
57.03423	1.4
57.07059	1.6
58.06591	1.3
58.99580	2.4
60.04508	1.1
69.07058	8.2
70.01363	5.0
70.02946	1.2
70.06594	26.8
72.08154	15.8
73.01122	1.6
74.06084	1.6
76.02220	5.2
77.03970	0.9
79.05481	4.1
81.03391	1.2
81.07056	1.3
83.06085	1.7
84.04504	21.3
84.08142	14.4
85.01107	1.7
85.02870	1.5
85.06535	1.1
86.09711	11.6
87.02673	3.5
88.03979	1.6
91.05475	6.4
92.05051	1.0
96.08125	1.7
98.09686	2.0
99.05588	5.6
102.05549	2.1
104.05334	1.1
105.07053	2.0
106.06557	3.6
107.04951	22.9
107.06090	2.3
107.06853	1.1
108.05275	7.1
109.02866	1.7
109.07656	2.0
110.07172	5.1
112.03962	4.1
113.04244	7.7
114.05402	1.0
115.05456	4.7
115.08636	1.5
116.01656	3.7
116.07101	2.6
117.07010	6.5
118.06520	2.7
119.04960	3.3
123.04414	6.5
126.05484	1.1
127.08631	1.4
129.06943	4.5
129.10237	6.3
130.04990	7.5
130.06870	11.8
130.08629	4.3
131.04927	3.3
131.08591	1.0
133.06470	1.4
134.05986	4.3
135.04420	17.4
135.05438	1.6
135.06357	1.4
136.04768	6.1
136.07561	4.7
137.05974	8.8
143.04932	3.0
143.08508	1.8
144.01115	1.1
145.06331	8.1
146.06006	5.6
147.04430	5.9
148.05161	1.2
149.04755	1.7
149.05960	9.7
152.07066	60.3
153.07503	21.7
155.08176	1.9
156.07657	1.0
157.06488	5.6
159.04585	1.0
160.05142	1.6
161.05978	53.7
161.39023	1.1
162.02182	3.9
162.05438	1.1
162.06712	1.5
163.06340	1.7
163.07536	6.3
164.07060	64.1
169.13405	1.7
171.07993	2.8
171.11639	3.2
174.06769	1.1
175.07533	21.1
176.08308	1.7
177.05548	1.7
179.04861	1.9
181.03261	1.2
181.06125	4.0
187.11162	1.6
188.08496	1.4
189.09068	5.6
191.10725	1.8
199.07217	6.1
199.11192	4.3
201.12343	1.5
205.12228	1.6
209.11746	1.1
210.12059	2.7
210.50063	1.0
211.07199	2.0
213.12364	2.0
216.06863	4.9
217.12227	34.9
217.14337	1.8
227.12790	2.4
228.13116	2.4
233.09572	2.6
234.14883	44.3
240.13425	1.2
251.11049	1.3
256.09317	6.4
257.07736	2.8
266.12149	3.5
268.13644	21.8
268.81827	0.9
278.95151	1.0
297.16238	1.0
308.09241	1.7
326.20767	1.3
412.19019	55.7
413.19199	1.9
523.21930	2.9
541.23260	100.0
542.23730	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	541.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48878	2.4
53.03946	9.1
55.01870	7.1
55.05509	23.5
56.61284	2.7
56.70646	3.0
57.03429	4.0
57.07067	7.5
65.51702	3.1
67.05517	24.7
68.99763	3.9
69.03427	27.7
69.07070	38.9
69.84731	15.2
70.06584	26.9
71.04976	8.7
71.08617	3.6
72.08140	6.2
79.05495	23.9
81.03416	30.8
81.07055	100.0
83.04990	6.1
83.08600	15.7
84.04513	5.9
84.08139	12.5
85.02443	4.0
85.02908	46.3
85.06551	4.3
86.09716	8.7
86.45013	3.1
87.00830	14.6
91.04993	3.1
91.05452	18.0
93.07042	39.2
95.04965	9.5
95.07993	4.0
95.08604	71.5
97.02888	15.8
97.06523	7.4
97.10154	13.0
99.04446	6.8
105.01862	8.6
105.07028	23.4
107.04951	5.2
107.08585	37.5
109.02887	23.7
109.06521	6.6
109.10155	48.1
111.04409	3.2
111.08060	6.5
111.11687	7.4
115.03920	5.0
117.06995	6.2
119.08572	16.1
121.06514	3.8
121.10137	18.2
123.04392	2.7
123.08063	4.4
123.11707	27.3
125.09654	3.7
127.03926	35.0
129.06970	2.8
129.10242	5.9
131.08583	6.7
133.10144	14.7
135.11705	16.1
137.13289	16.3
143.08580	4.1
145.04970	6.1
145.06537	2.5
145.10081	10.9
147.11723	9.7
149.09633	6.3
149.13251	21.8
149.25546	2.9
151.14838	6.0
153.12770	3.1
157.10104	4.7
159.02907	5.4
159.11670	9.5
161.05934	2.9
161.09601	3.4
161.13260	7.2
163.14799	6.8
171.11705	3.6
173.13254	4.2
175.11237	3.6
177.12718	2.9
183.11746	3.8
189.04051	3.9
191.17949	5.5
205.19528	4.0
213.03938	6.0
215.14307	4.2
219.21016	3.6
220.20729	2.5
231.04973	13.6
273.25604	3.5
275.27338	3.0
293.28348	6.6
305.21362	2.8
359.29453	3.7
372.31290	3.0
383.29282	5.8
383.90817	2.8
401.30542	4.9
487.30255	3.9
487.78098	3.3
523.32416	6.4
523.61169	2.8
548.89349	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	541.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53296	0.6
57.07059	1.3
65.63305	0.5
67.05490	1.0
69.07069	0.6
70.98951	1.7
75.09406	0.5
83.88522	0.6
105.07010	0.6
115.02216	0.5
115.81114	0.5
116.32140	0.5
120.72505	0.5
124.01487	0.5
136.39804	0.5
174.19710	0.7
203.05159	0.9
256.26358	2.2
311.29462	0.9
356.40796	0.7
371.75470	0.7
540.53259	4.3
541.33466	100.0
541.53882	2.8
542.33710	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	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
65.15539	0.3
67.05479	0.3
70.06583	3.1
72.08150	1.3
78.11258	0.3
79.05486	3.4
81.03387	0.8
83.04942	0.4
84.04502	1.2
84.08126	1.4
85.02925	0.6
85.06552	1.3
86.09695	1.5
91.05456	0.6
95.04951	1.2
98.20630	0.6
102.05550	0.3
102.12482	0.2
105.04488	0.3
106.06547	6.8
107.04951	31.3
109.02871	2.6
110.07153	0.9
115.08721	0.4
119.08568	0.4
120.08089	0.6
120.29146	0.3
121.06522	0.5
123.04413	0.4
125.05973	0.3
126.17281	0.3
127.03869	0.3
129.10233	1.0
131.08585	0.9
134.06018	7.4
135.04407	26.9
136.07608	0.9
136.50273	0.3
145.10112	0.4
149.09717	0.6
152.07057	100.0
153.07396	1.0
163.11075	0.3
164.07133	0.5
167.10674	0.7
177.05464	0.3
191.10678	0.9
207.06384	0.3
209.11752	1.9
223.01012	0.3
227.12791	5.2
229.85201	0.3
239.29454	0.3
291.82574	0.3
314.12283	0.4
438.04904	0.3
438.11337	0.3
540.23816	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	541.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16456	0.9
55.01858	1.7
55.05497	3.6
56.05021	3.5
57.03423	1.4
57.07059	1.6
58.06591	1.3
58.99580	2.4
60.04508	1.1
69.07058	8.2
70.01363	5.0
70.02946	1.2
70.06594	26.8
72.08154	15.8
73.01122	1.6
74.06084	1.6
76.02220	5.2
77.03970	0.9
79.05481	4.1
81.03391	1.2
81.07056	1.3
83.06085	1.7
84.04504	21.3
84.08142	14.4
85.01107	1.7
85.02870	1.5
85.06535	1.1
86.09711	11.6
87.02673	3.5
88.03979	1.6
91.05475	6.4
92.05051	1.0
96.08125	1.7
98.09686	2.0
99.05588	5.6
102.05549	2.1
104.05334	1.1
105.07053	2.0
106.06557	3.6
107.04951	22.9
107.06090	2.3
107.06853	1.1
108.05275	7.1
109.02866	1.7
109.07656	2.0
110.07172	5.1
112.03962	4.1
113.04244	7.7
114.05402	1.0
115.05456	4.7
115.08636	1.5
116.01656	3.7
116.07101	2.6
117.07010	6.5
118.06520	2.7
119.04960	3.3
123.04414	6.5
126.05484	1.1
127.08631	1.4
129.06943	4.5
129.10237	6.3
130.04990	7.5
130.06870	11.8
130.08629	4.3
131.04927	3.3
131.08591	1.0
133.06470	1.4
134.05986	4.3
135.04420	17.4
135.05438	1.6
135.06357	1.4
136.04768	6.1
136.07561	4.7
137.05974	8.8
143.04932	3.0
143.08508	1.8
144.01115	1.1
145.06331	8.1
146.06006	5.6
147.04430	5.9
148.05161	1.2
149.04755	1.7
149.05960	9.7
152.07066	60.3
153.07503	21.7
155.08176	1.9
156.07657	1.0
157.06488	5.6
159.04585	1.0
160.05142	1.6
161.05978	53.7
161.39023	1.1
162.02182	3.9
162.05438	1.1
162.06712	1.5
163.06340	1.7
163.07536	6.3
164.07060	64.1
169.13405	1.7
171.07993	2.8
171.11639	3.2
174.06769	1.1
175.07533	21.1
176.08308	1.7
177.05548	1.7
179.04861	1.9
181.03261	1.2
181.06125	4.0
187.11162	1.6
188.08496	1.4
189.09068	5.6
191.10725	1.8
199.07217	6.1
199.11192	4.3
201.12343	1.5
205.12228	1.6
209.11746	1.1
210.12059	2.7
210.50063	1.0
211.07199	2.0
213.12364	2.0
216.06863	4.9
217.12227	34.9
217.14337	1.8
227.12790	2.4
228.13116	2.4
233.09572	2.6
234.14883	44.3
240.13425	1.2
251.11049	1.3
256.09317	6.4
257.07736	2.8
266.12149	3.5
268.13644	21.8
268.81827	0.9
278.95151	1.0
297.16238	1.0
308.09241	1.7
326.20767	1.3
412.19019	55.7
413.19199	1.9
523.21930	2.9
541.23260	100.0
542.23730	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	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
56.05026	0.2
60.04506	0.4
69.03403	0.3
69.07050	0.4
69.86035	0.6
69.86453	0.9
70.06581	2.3
71.05000	0.4
72.08141	0.7
74.06097	0.3
74.09715	0.2
78.56114	0.2
79.05488	3.5
79.39762	0.2
81.03405	0.9
83.06052	0.2
84.04494	0.8
84.08130	1.0
85.02895	0.4
85.06550	1.2
86.09697	1.5
86.12991	0.2
87.05617	0.3
91.05482	0.3
93.07063	0.3
95.04946	1.0
106.06545	5.4
107.04948	30.6
107.08585	0.5
108.05277	0.6
109.02876	2.6
110.07159	1.2
111.04449	0.2
117.03396	0.3
119.04935	0.3
120.08085	0.5
121.06454	0.3
121.10165	0.4
123.04417	0.7
124.01217	0.3
126.35023	0.2
129.10226	1.0
131.08554	1.0
134.06013	7.1
135.04405	24.2
135.11659	0.3
136.04733	0.4
136.07559	1.1
137.05986	0.5
145.02821	0.3
145.10139	0.5
147.04416	0.2
148.07495	0.3
149.09660	0.9
152.07054	100.0
153.07368	0.9
161.06024	0.3
163.03935	0.3
164.07066	0.7
177.05383	0.4
191.10634	1.4
201.05424	0.3
209.11697	2.6
227.12753	5.7
234.14835	0.4
354.91641	0.3
412.19263	0.3
540.13599	1.2
540.32092	0.6
541.22974	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	540.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82898	1.1
53.03938	3.6
53.95123	1.0
55.00739	1.1
55.01861	3.9
55.05502	1.2
56.05030	2.2
60.04502	2.4
61.02922	1.2
61.05357	1.0
65.03931	3.9
67.05499	1.7
69.03416	1.7
69.07080	2.2
69.65341	7.4
70.06583	25.7
71.05000	1.4
71.06931	1.6
72.08162	8.4
73.48843	1.3
75.04474	3.7
78.04717	3.3
79.05482	3.4
81.03413	3.1
83.06149	1.2
84.04497	5.4
84.08144	11.2
85.02908	6.3
86.09695	15.8
87.05606	1.2
88.68933	1.0
89.03913	2.2
91.05472	13.8
93.03400	9.4
93.07030	5.6
95.04970	5.8
95.08565	1.4
96.08198	1.3
97.06553	2.7
100.34959	1.1
101.07154	2.3
103.05487	4.5
105.04540	1.7
106.04169	21.5
106.06569	1.3
107.04971	5.6
109.06452	1.5
110.07166	4.7
112.08720	1.2
116.07053	1.1
117.03388	1.4
119.04933	4.6
119.08558	1.0
120.08102	7.0
121.06500	33.3
121.07391	1.7
123.04415	1.8
123.08070	1.4
124.05235	2.3
125.05991	9.2
129.10223	6.2
130.05013	1.5
131.04927	2.0
133.06430	1.6
134.03606	3.6
135.04436	2.8
136.07567	5.7
137.05957	12.0
138.09178	1.2
139.07542	2.5
145.02859	1.5
147.04463	1.9
148.03865	1.3
148.05141	1.7
149.05960	47.7
151.03915	1.8
151.07484	2.9
152.07079	3.7
153.05498	2.5
153.06693	1.6
153.09109	11.4
163.07542	2.5
164.07002	2.4
166.06238	1.7
166.08617	1.6
167.07048	5.2
172.43910	1.1
175.03822	1.1
177.05457	26.8
181.08588	22.6
182.31792	1.2
191.07021	2.2
209.08080	100.0
210.08495	1.3
216.06651	2.0
223.04164	7.0
233.79143	1.3
259.09497	2.4
260.10739	1.5
304.12436	1.5
324.23663	1.2
409.08591	1.5
457.37866	1.2
534.28210	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	538.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16567	0.2
56.05022	0.6
57.03437	0.3
58.06607	0.4
60.08160	5.9
62.52485	0.2
67.05500	0.4
68.97456	0.2
70.06554	0.3
71.07368	3.1
81.07051	0.3
86.09700	32.7
95.08601	0.4
98.98448	3.0
100.26807	0.2
104.10738	5.9
124.99998	23.1
143.01042	0.6
155.82425	0.2
167.97948	0.2
174.33293	0.2
184.07327	100.0
185.07593	0.2
229.85161	0.3
258.10953	0.6
261.18115	0.3
301.06161	0.4
412.00241	0.2
433.72919	0.2
502.09778	0.2
510.79117	0.3
520.33954	2.7
538.23053	0.3
538.35004	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	539.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.5
53.13492	1.9
55.01868	18.8
55.05508	16.3
57.03439	21.1
57.06796	4.3
57.07072	74.7
59.21063	2.0
59.49636	2.1
61.02925	5.6
65.03922	2.3
67.01874	2.8
67.05503	25.4
69.03425	42.2
69.07063	16.3
70.58974	6.2
71.04977	4.8
71.08628	51.4
73.02911	47.5
75.04480	4.2
79.05480	2.6
81.03416	33.9
81.07047	31.6
83.04972	8.8
83.08618	28.9
85.02897	36.7
85.10181	31.8
89.06032	5.9
93.07052	4.5
95.08606	54.5
96.66589	2.3
97.02892	17.9
97.10164	19.1
99.04453	24.0
99.11742	4.8
109.02873	71.5
109.05479	2.4
109.10151	29.8
110.03663	7.5
111.04437	61.4
111.11716	7.0
115.03922	2.8
123.11663	11.3
125.13289	3.4
127.03912	42.4
131.30365	2.0
132.99530	24.9
133.08614	2.6
137.13257	10.1
139.14821	2.6
151.00577	13.5
151.14874	2.3
155.00131	2.3
165.16428	2.2
172.99052	5.8
191.00087	35.3
200.14279	2.2
209.01097	11.4
221.22644	5.1
239.23692	100.0
257.24753	13.0
265.03815	6.2
297.49841	2.4
313.27371	52.6
355.28482	3.1
403.06168	1.9
539.28845	72.5
539.37744	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	539.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
56.96535	0.4
60.08169	0.5
62.25689	0.4
67.05502	0.7
71.08617	0.4
75.73545	0.5
79.25896	0.4
80.96045	0.5
81.07053	0.5
82.50232	0.5
83.33840	0.4
83.79324	0.4
84.40607	0.4
85.02935	0.4
86.09705	2.9
93.07050	0.7
95.08602	0.6
98.20716	1.1
98.97564	0.5
104.10756	2.0
125.00005	1.2
131.00122	0.9
177.00710	0.6
184.07321	5.5
192.02939	0.4
203.05307	0.6
209.04829	0.5
219.09341	0.4
229.96065	0.8
258.98117	0.5
280.65921	0.5
281.46286	0.5
337.20505	0.8
339.29028	0.4
362.93591	0.4
399.10852	0.5
432.71317	0.5
538.81891	1.6
539.31873	100.0
540.32501	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	540.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03941	1.6
55.01851	2.0
55.05507	0.8
56.05021	1.4
57.03429	0.5
60.04493	0.6
61.01118	0.7
65.03943	2.3
67.05489	1.2
69.03429	0.8
69.07047	0.6
70.05076	2.3
70.06593	10.3
72.08151	3.2
74.06068	0.6
75.04482	3.9
77.03926	0.6
78.04691	3.4
79.05495	2.7
81.03400	1.4
81.07065	0.7
84.04503	2.2
84.08140	4.4
85.02907	4.5
86.09702	5.5
89.03913	1.7
89.06037	1.2
91.05476	12.3
92.05843	0.6
93.03408	10.4
93.07039	5.8
95.04970	5.8
97.02940	0.5
97.06543	2.7
100.55550	0.5
102.05563	0.9
103.05460	5.0
105.03341	0.5
105.04513	0.9
105.07008	1.6
106.04176	31.5
107.04961	4.1
107.08585	0.6
109.06499	1.3
110.07166	1.9
111.04478	0.7
112.08734	0.8
115.08667	0.5
117.03361	1.4
119.04961	2.5
120.08112	3.7
121.06505	31.3
122.07269	0.9
123.04434	2.1
123.08041	0.6
124.05183	0.8
125.05997	7.9
129.10236	2.7
131.04938	2.8
133.06461	0.8
134.03638	4.6
134.06033	0.9
135.04427	2.6
136.07600	3.0
137.05977	8.1
138.06755	1.0
139.07532	2.5
139.08484	0.5
142.08578	0.5
143.38811	0.6
145.02843	1.7
145.06396	0.5
147.04401	0.8
148.05186	2.3
149.05983	45.4
150.01158	0.5
151.03868	0.9
151.07506	2.7
152.07047	1.9
152.08171	0.8
153.05482	1.6
153.09103	13.2
161.06003	1.5
162.01434	0.6
163.03900	1.6
163.07550	2.5
164.06966	0.8
164.09416	0.5
165.05530	0.9
166.06300	0.9
166.08623	2.0
167.07080	4.6
177.05475	24.1
181.08598	19.2
191.07050	3.1
195.06549	0.8
195.53029	0.5
201.05449	0.6
209.08093	100.0
210.08466	1.7
213.12569	0.5
219.10213	2.6
223.04219	6.3
229.04889	0.5
229.09323	0.6
239.98027	0.5
259.09647	5.6
312.08917	1.0
387.14191	0.7
395.55148	0.5
396.16220	0.5
540.28741	0.6
548.13507	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	538.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37431	1.2
53.03934	6.5
55.01873	8.4
55.05488	1.3
57.03418	5.1
57.03674	1.1
60.83625	1.2
61.02911	4.7
65.03922	1.9
67.05496	2.6
68.99779	2.1
69.03088	1.8
69.03427	21.7
69.07065	2.0
70.06586	3.4
71.04971	3.7
71.21485	2.7
72.08132	2.6
73.02917	5.9
79.05470	4.8
80.05021	1.7
81.03414	29.1
81.05759	1.2
81.07034	3.1
82.06553	1.6
84.04498	2.8
84.08149	3.2
84.63905	1.0
85.02898	70.7
86.09699	3.4
87.00826	21.0
89.03918	1.5
90.05519	1.5
91.03947	1.8
91.05466	4.5
92.05035	1.3
93.05770	1.1
93.07039	10.1
94.06567	10.0
95.04972	2.3
95.07346	7.9
95.08602	2.1
96.08130	21.3
97.02886	25.0
97.06520	2.7
99.04433	13.2
103.05459	2.9
105.01859	22.1
105.05825	1.2
105.07037	1.7
106.06541	2.5
107.04950	3.1
107.08542	1.9
108.04453	6.8
108.08126	14.0
109.02872	25.7
109.06531	1.9
110.07119	1.2
110.09678	31.7
115.03896	2.0
116.04964	4.6
117.01839	2.8
117.03374	1.9
118.06479	1.4
119.08609	1.3
120.04463	7.6
120.08099	25.1
120.08931	1.4
121.06480	4.0
121.10081	1.6
122.06046	6.4
122.09634	1.6
123.04424	1.3
124.07582	7.7
126.05515	3.0
127.03908	61.3
129.01822	4.5
131.08438	1.3
133.10033	1.4
134.06013	3.3
136.07568	10.6
137.05966	19.5
138.05504	6.6
138.09132	48.2
144.04456	8.3
145.02869	2.5
145.04941	25.5
146.06009	5.2
147.02898	3.1
147.04382	3.0
147.11630	1.4
148.03938	1.5
148.07549	10.1
149.06023	5.3
150.05550	3.1
150.84276	1.4
151.03914	1.7
151.07523	3.2
152.07129	1.2
153.06960	2.5
159.02855	19.3
160.03923	2.2
161.05943	1.5
162.05469	5.1
164.07088	2.4
166.04958	5.7
166.08630	100.0
167.07056	1.8
172.03926	43.3
174.05528	1.8
177.05481	6.0
178.05063	1.4
179.07022	1.3
181.06427	2.9
188.07097	1.7
190.03421	1.6
190.04988	18.1
191.06989	1.5
192.06410	1.4
197.10730	3.3
198.11552	1.0
204.06548	21.3
209.10707	3.1
211.12244	1.4
212.09407	3.7
213.03877	3.3
213.09109	3.8
215.12477	1.1
222.11530	2.5
223.08557	1.9
224.09502	3.8
225.10490	5.4
227.11693	3.6
230.06609	2.3
231.04996	11.1
235.08598	1.9
236.09389	3.9
237.10280	17.1
238.10960	4.1
239.08215	2.1
239.11703	4.6
241.09772	3.1
245.12823	1.5
247.14333	2.1
248.07597	3.1
249.10175	3.3
250.07121	1.7
250.10939	1.4
251.08058	3.8
251.11812	9.6
252.08871	3.1
252.12430	1.9
253.09821	7.7
253.13327	1.4
255.11264	2.8
263.11755	2.9
264.08768	2.4
265.09784	23.9
266.10416	3.5
267.11255	3.9
271.10803	3.8
273.11185	16.7
278.06622	9.8
279.11316	11.2
280.08606	3.1
280.11902	2.1
281.09491	2.0
281.12906	3.3
283.10822	7.3
285.11133	5.4
289.10056	1.2
292.08057	2.4
293.09198	25.4
294.09888	4.9
295.10785	1.3
296.11572	1.3
297.12161	10.4
299.10126	2.8
300.10806	1.9
301.05978	1.9
307.10651	5.0
309.12125	4.7
311.10178	3.7
312.10959	5.0
313.11813	7.7
325.11789	21.9
327.13159	1.6
335.10114	8.9
339.12424	3.6
340.10632	3.8
341.11282	32.5
343.12717	3.1
353.11258	27.2
357.14386	4.4
363.12152	2.5
367.12830	1.4
373.13794	4.7
381.13290	1.9
385.14136	5.6
457.36917	1.1
460.18622	7.2
462.20309	1.6
465.18863	10.6
478.19644	8.8
488.18188	15.7
506.19186	72.6
507.19186	1.4
538.20984	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	538.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91278	1.2
69.18661	13.3
70.06587	3.1
74.17126	1.5
79.05486	3.4
80.05004	2.1
81.03417	3.9
82.06529	1.3
84.08148	1.4
86.09695	5.8
87.75927	1.4
89.03924	1.4
91.05469	8.2
93.07045	7.4
94.06558	10.3
95.04971	3.5
95.07331	7.8
96.08127	22.1
97.06504	1.7
103.05463	3.2
106.06528	1.6
107.04956	2.2
108.08117	16.1
109.08850	1.3
110.09675	30.3
116.04992	4.0
117.03359	2.6
117.07043	1.4
119.04944	1.8
119.08510	1.3
120.04477	6.7
120.08105	25.4
121.06472	1.7
122.06014	4.3
122.09680	2.2
124.07578	9.3
129.10236	1.5
131.04901	1.7
134.06017	2.8
136.07574	12.2
137.05988	10.9
138.05463	5.7
138.09134	48.2
143.04936	1.3
144.04457	8.0
145.02840	6.0
145.06490	1.9
146.05974	7.2
148.04019	1.8
148.07539	8.4
149.05991	1.3
150.05502	2.9
151.07538	5.4
152.07050	2.0
155.07053	1.3
160.04021	2.1
161.06015	1.8
162.05504	6.7
163.03886	1.3
164.06998	1.7
166.04973	4.9
166.08638	100.0
167.07028	11.0
168.10178	3.2
172.03937	38.0
174.05493	3.0
175.07550	3.3
177.05482	9.6
178.05002	1.4
180.06496	1.3
187.07584	1.7
190.04991	17.4
194.08144	6.9
198.11510	1.5
201.05492	8.5
204.06567	13.7
209.08029	1.6
209.10742	2.6
211.12329	1.9
212.09377	2.5
213.10301	1.5
216.06604	2.3
222.11534	1.3
223.12329	1.4
224.09439	5.0
225.10237	5.2
227.11839	3.2
231.06494	1.6
233.89046	1.1
235.08987	1.4
236.09496	3.5
237.10237	16.1
238.10950	2.6
239.08199	2.1
239.11778	5.2
241.09688	4.4
245.12849	2.3
247.14458	1.5
249.10233	2.2
250.07326	1.2
250.11082	1.3
251.08128	4.1
251.11748	9.4
252.08904	2.9
252.12386	1.5
253.09750	7.7
255.11255	2.7
263.11755	2.8
264.08926	1.9
265.09753	21.8
266.10464	3.8
267.11172	4.3
269.12738	1.2
271.10803	4.0
273.12341	7.2
278.06516	8.7
279.11322	10.5
280.08554	2.4
280.11908	1.4
281.09433	1.4
281.12750	2.4
283.10794	7.5
285.12411	2.0
292.08200	1.5
293.09207	24.3
294.09796	4.5
297.12283	6.1
299.10245	4.0
300.11105	1.6
307.10727	5.6
309.12195	6.7
311.10181	3.8
312.11035	3.7
313.11707	6.3
325.11838	21.9
327.12527	1.8
335.10214	10.0
340.10660	2.9
341.11258	31.1
343.12909	2.5
353.11307	25.6
357.14267	2.1
364.45544	1.3
373.14120	4.0
385.13882	6.1
437.18900	1.7
460.18478	5.5
462.20175	1.3
464.18390	1.7
465.18930	11.5
478.19894	9.2
488.18259	16.2
489.18756	1.4
506.19232	61.6
507.19229	2.3
520.20197	2.2
538.21338	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	538.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19491	0.6
53.03938	1.4
54.61762	0.7
55.05523	0.8
55.59896	0.6
56.37759	0.7
58.20851	0.8
65.03925	1.8
67.05474	2.3
69.03417	1.5
69.07050	0.8
70.06575	2.7
70.80370	1.7
72.08141	1.2
79.05487	3.6
80.05011	1.4
81.03411	1.1
81.07055	0.9
82.06557	2.6
84.04488	2.0
84.08118	1.3
85.02890	1.6
86.09677	1.4
87.00790	0.8
89.26780	0.6
91.05455	4.9
92.04992	1.1
93.05770	1.4
93.07034	10.3
94.06560	13.0
95.04949	1.4
95.07346	8.1
95.08592	1.4
96.08127	20.7
97.06517	1.8
103.05460	2.1
107.04958	1.0
108.08112	19.9
110.09673	41.6
116.04977	4.0
117.03452	0.7
118.06538	1.4
120.04433	4.2
120.08098	27.8
121.06493	1.9
122.06001	4.2
122.09652	0.9
123.04355	0.8
123.06771	1.3
124.07584	7.6
126.05518	0.8
134.05998	2.2
136.07576	11.3
136.74678	0.7
137.05975	1.1
138.05511	4.8
138.09132	49.3
139.09428	0.8
144.04427	6.2
145.02808	2.6
145.60396	0.7
146.06029	5.4
148.03848	1.0
148.06438	0.9
148.07562	9.9
150.05484	2.7
150.09125	1.3
152.07060	2.1
160.03937	1.6
162.05495	3.4
164.07094	2.1
166.04987	5.1
166.08632	100.0
167.07001	1.3
167.09003	1.1
172.03929	27.1
174.05437	1.7
177.05522	3.9
177.07803	0.8
178.04955	0.9
188.07060	1.0
190.04991	12.0
190.06587	1.2
192.06578	1.0
194.08247	1.1
196.09920	1.1
197.10741	1.5
201.05510	1.3
204.06554	12.2
207.06512	0.8
208.09856	1.3
209.10762	2.0
211.08698	3.2
212.09396	3.8
213.10268	2.1
216.06413	1.6
219.09235	1.2
222.07797	1.7
222.11374	1.1
223.08539	4.3
223.12267	1.6
224.09346	4.2
225.10220	6.1
226.11023	1.8
227.08125	2.1
227.11800	1.7
235.08676	2.9
236.09392	3.5
237.10208	18.9
238.07286	1.0
238.11006	3.4
239.08128	4.7
239.11755	3.7
241.09703	4.8
245.12848	1.4
247.08685	1.2
249.10225	1.4
250.07306	1.9
251.08067	4.8
251.11813	7.1
252.08890	2.9
252.12622	1.1
253.09694	16.6
253.13557	1.0
254.10231	0.9
255.11276	4.0
263.08102	0.7
263.11664	0.9
264.09012	2.0
265.09708	32.9
266.07864	1.0
266.10403	5.4
267.07602	2.2
267.11276	5.2
268.08447	1.2
269.09134	1.1
269.12833	1.4
271.10748	4.1
273.12286	5.1
278.06564	6.4
279.11255	8.9
280.08514	1.8
281.09210	10.9
281.12793	2.8
283.10751	9.3
285.12259	2.7
287.10437	1.4
291.11237	0.8
292.08322	1.6
293.09186	33.5
294.09879	5.1
295.10693	8.3
297.12323	6.2
298.09464	1.1
299.10361	3.4
300.10925	1.4
302.17569	1.3
307.10730	3.8
309.08566	1.8
309.12317	3.5
311.10187	4.8
312.10944	3.7
313.11789	9.7
316.14563	1.2
320.18594	1.3
321.08530	4.2
325.11795	22.2
327.13275	1.9
330.12195	1.1
335.10239	6.4
340.10638	2.2
341.11316	32.9
343.12958	1.6
353.11285	33.2
357.14606	2.5
358.15427	1.0
373.13907	25.4
374.14792	1.0
385.13943	15.0
388.16653	1.3
394.22195	3.4
400.16858	2.6
418.17584	3.1
432.18967	0.8
446.17059	5.1
450.20004	1.6
460.18610	5.7
462.19922	1.3
464.18280	1.5
465.18814	8.1
474.16479	2.1
478.19763	17.3
488.18094	11.7
506.19214	53.5
507.19519	1.2
510.22665	1.0
520.20630	2.4
538.14026	1.2
538.21808	9.1
538.33527	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	538.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05938	0.5
51.34651	0.5
55.05503	0.9
58.91604	0.5
62.12508	0.5
63.02375	0.9
67.05495	0.8
69.03451	0.6
69.07058	1.1
70.06577	2.5
71.31033	0.6
71.31364	1.0
77.03970	0.6
78.04677	0.6
79.05469	1.4
80.14965	0.5
81.03411	0.9
81.07045	1.1
83.08599	1.0
84.04485	1.3
84.08146	1.4
85.02899	1.2
86.09692	2.0
87.00773	0.5
89.03909	6.6
91.05469	2.0
93.07063	1.4
94.06539	0.7
95.04958	1.1
95.08597	1.5
96.08119	1.4
97.02885	0.6
98.41306	0.5
103.05470	1.1
105.07005	1.3
106.04182	0.7
107.04943	1.4
107.08575	1.4
108.08077	0.6
109.02885	0.7
109.06522	0.6
110.09669	1.8
110.10500	0.5
111.04462	0.8
115.05533	0.6
117.03377	21.6
119.04921	1.1
119.08571	0.7
120.04481	0.6
120.08069	1.4
121.06501	1.9
121.10109	0.6
122.90609	0.7
123.04379	0.6
127.03915	0.7
131.04869	1.3
132.05731	0.7
133.06508	1.3
134.03610	1.6
135.04419	2.6
135.11722	0.7
136.07581	1.2
137.05957	2.1
138.09106	1.6
145.02838	51.6
146.03151	0.7
149.05978	8.4
159.11714	0.7
161.05966	2.6
162.05476	0.6
163.03922	1.2
166.08614	4.0
167.05775	0.8
167.07007	3.6
172.03903	1.5
177.05461	100.0
178.05789	1.9
180.07777	0.8
181.08511	1.1
186.05478	1.9
187.07553	0.6
192.07811	2.0
193.08574	3.0
201.05446	0.6
204.06509	1.3
206.52065	0.6
209.08072	2.2
210.08823	1.4
224.01103	0.6
225.10191	0.8
265.09637	1.1
267.15927	0.7
293.08884	0.8
325.11621	0.7
328.11581	2.9
341.11316	1.1
345.13303	0.7
353.11118	1.6
362.16040	1.2
488.18195	0.8
506.19254	2.8
538.21271	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	538.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62259	0.7
61.02918	0.8
62.22328	0.6
69.03424	1.9
69.86720	2.7
79.05483	0.9
79.65664	0.7
81.03394	0.9
84.04503	1.6
84.08144	1.3
85.02908	4.1
86.01341	0.7
86.09747	0.9
91.05480	0.6
97.02880	1.8
98.20863	1.2
99.19662	0.6
100.21746	0.6
107.04953	2.4
115.05444	3.9
120.08084	1.5
121.06499	0.6
123.04411	2.7
127.03921	1.0
129.10242	1.0
131.04959	0.8
133.06493	0.8
134.05986	0.6
135.04468	0.9
136.07564	0.7
137.05975	1.8
143.04907	11.9
146.05981	0.6
147.04411	1.4
149.05962	1.1
151.04036	0.8
152.07120	1.2
161.05969	14.3
162.05501	1.3
163.03882	1.5
164.07059	24.3
167.05673	1.0
167.07051	14.9
178.07800	1.4
179.08601	1.5
181.04980	1.8
181.08516	0.9
187.03934	1.1
189.07001	3.3
205.06564	3.2
206.07309	2.4
207.06364	1.0
207.08066	9.1
208.13693	0.6
210.06786	1.3
217.06541	2.1
218.07166	0.7
220.05206	1.2
221.05978	4.6
223.07565	2.2
233.06020	2.1
234.06799	7.1
234.09021	1.4
235.07536	19.9
236.07944	1.2
237.05576	1.5
238.06133	3.4
239.06938	1.1
245.06119	0.8
249.05544	3.7
250.06200	1.5
251.07057	5.0
251.09409	1.0
252.07784	4.7
253.08574	5.6
255.06532	1.7
255.09914	0.8
261.05542	1.2
262.06244	25.1
262.08527	1.9
263.07019	20.9
264.07413	1.2
265.05023	5.1
265.07428	1.8
266.05688	5.3
267.06604	2.1
267.10129	1.9
277.04919	2.2
277.08688	0.8
278.05646	0.9
278.08340	0.8
279.06329	4.2
279.08978	2.4
280.07092	5.9
280.09839	4.1
281.08081	14.5
282.08240	1.6
283.05988	2.6
283.09653	1.2
290.05746	4.4
291.06555	3.2
293.04169	1.1
293.07083	1.5
294.04846	1.7
294.07950	3.5
295.06229	1.4
295.09625	4.4
297.07581	1.8
298.08261	3.2
300.08984	0.8
307.08432	2.5
308.06454	12.1
308.09262	2.5
309.07285	7.9
309.10660	1.1
310.07477	2.6
311.05579	2.2
313.10651	12.4
313.13943	1.0
314.10303	0.8
315.12277	11.9
323.09128	30.1
324.09027	1.2
325.09677	4.4
326.07855	8.2
330.13358	2.7
332.14941	13.4
340.11813	18.3
341.10184	52.3
342.10681	1.4
358.12839	100.0
359.13116	2.7
376.13916	51.0
377.14322	1.8
400.13913	1.2
436.14056	1.7
454.15192	1.1
466.15167	1.0
484.16006	2.4
502.17075	2.8
520.18170	2.0
538.19116	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	538.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.14156	0.6
55.01845	1.0
55.05507	0.9
56.05003	1.0
65.03910	1.0
68.79766	0.7
69.80558	3.4
70.06593	7.4
72.08157	3.4
77.03913	0.6
79.05500	3.2
81.02944	0.9
81.03414	17.4
81.07036	0.8
84.04492	2.1
84.08138	2.5
85.02909	1.0
86.09702	6.0
89.03906	10.2
91.05482	9.0
93.07027	1.3
94.04198	0.6
95.04972	2.0
96.08091	0.7
100.11227	1.6
102.05486	0.7
102.54118	0.7
103.05450	2.4
104.05331	1.4
105.03415	0.7
105.07030	1.8
106.04137	1.0
106.06573	0.9
107.04954	25.4
109.06499	1.2
110.09682	0.8
111.04424	0.8
114.09189	0.9
115.05467	6.0
115.58794	0.6
117.03376	29.8
117.06998	4.0
118.06505	0.7
119.04938	8.5
120.08102	3.5
121.06500	2.9
122.03640	2.3
123.04417	1.9
124.05209	1.8
125.05956	0.6
129.06880	0.8
129.10236	2.3
130.04137	0.8
131.04916	3.9
132.04443	1.1
133.02849	3.3
133.05228	0.6
133.06456	3.3
134.03638	2.5
134.06056	1.5
134.46709	0.6
135.04411	3.7
136.07558	5.8
137.05972	27.9
138.06374	0.7
138.09047	0.6
143.04939	3.9
144.04520	1.0
144.05623	1.0
145.02841	65.7
145.06476	4.8
146.03453	0.7
147.04405	6.9
149.05978	12.2
150.06764	1.3
151.03902	2.5
151.07518	1.5
152.07137	1.7
153.05508	0.7
154.12340	1.0
157.06416	0.8
158.03639	1.1
158.05980	1.1
159.09227	1.0
160.05190	7.0
161.05968	5.7
162.05479	2.1
162.06769	2.1
163.03882	1.0
163.07565	0.8
164.07059	1.7
165.05513	1.3
165.06787	1.0
166.08652	5.9
167.07042	29.3
168.10239	1.0
170.07379	0.8
172.03920	1.2
172.05272	1.1
173.06000	5.5
174.05455	0.8
175.03951	4.5
175.07536	18.5
176.07040	0.7
177.05467	100.0
178.05824	2.3
179.07097	5.3
180.07770	0.8
181.06380	1.5
186.05489	2.3
187.07516	3.7
191.07066	1.4
191.08632	0.8
192.06572	0.9
194.07256	1.4
197.12833	0.9
201.05450	25.5
201.07205	1.4
203.07150	1.6
204.06596	3.5
205.06487	2.4
205.08626	2.6
206.08131	2.9
207.08051	1.0
213.05463	2.1
213.09079	1.8
213.12299	0.8
217.08568	1.2
218.08128	17.9
219.08276	1.1
220.09625	1.3
221.05882	0.7
222.06758	1.3
231.06424	3.4
233.06012	1.6
233.08133	1.0
234.06990	0.8
234.89006	0.7
235.07584	1.5
235.09599	5.8
237.09120	6.2
241.08607	2.1
242.08089	1.0
247.07587	0.9
249.09247	0.9
260.09036	1.1
265.08670	3.5
273.11194	3.3
277.08524	1.6
290.10303	6.5
292.07434	0.9
293.08112	1.3
297.11273	1.8
300.12317	6.0
305.08145	1.9
307.09647	3.1
308.09201	2.3
309.11096	1.0
325.10733	5.9
336.12213	3.6
337.10773	4.7
340.11691	2.6
342.13364	1.4
352.11874	1.1
355.11731	11.5
364.11658	3.2
366.13367	2.6
368.15033	2.1
368.25391	0.8
378.13361	1.7
396.14471	8.2
398.71512	0.7
441.84702	0.7
490.18652	2.8
502.18698	3.3
520.19769	8.2
523.85498	0.7
538.20862	2.2
538.39471	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	538.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01862	6.9
57.03410	3.6
58.79544	1.0
61.02910	4.1
65.03941	1.6
67.05495	2.1
68.99775	2.6
69.03094	1.7
69.03428	25.7
69.07066	2.3
70.06573	4.4
71.01337	1.3
71.04979	4.3
71.51472	1.3
73.02914	9.4
79.05477	4.8
80.05005	2.1
81.03417	28.4
81.07039	3.2
82.06557	3.1
84.04493	2.0
84.08130	2.0
85.02901	72.8
86.09694	3.0
87.00826	26.1
89.03903	1.7
90.04647	1.4
90.05535	1.8
91.03947	3.0
91.05457	4.7
91.78875	1.2
93.07046	8.8
94.06563	11.1
95.04959	1.8
95.07343	9.3
95.08589	2.3
96.08125	19.4
97.02888	26.6
97.06541	2.7
99.04447	14.8
103.05452	3.1
105.01200	1.8
105.01859	24.6
105.07056	2.2
107.04947	4.5
108.04472	7.1
108.08102	14.9
109.02872	29.6
110.07149	1.2
110.09676	39.2
111.04478	1.2
115.03921	2.0
116.04950	3.6
117.01859	4.5
118.06523	2.4
119.04930	1.7
119.08556	1.0
120.04456	7.9
120.08099	27.1
121.06482	5.5
121.10091	1.2
122.03622	1.7
122.06043	6.4
122.09628	1.0
123.06821	1.5
124.07582	7.3
125.09587	1.2
126.05487	3.7
127.03916	62.9
129.01813	3.9
131.04817	1.6
134.05965	2.3
135.11725	1.1
136.07573	11.4
137.05969	24.0
138.05534	6.4
138.09138	47.1
144.04454	7.3
145.02841	2.9
145.04956	32.1
146.06010	4.5
147.02838	3.8
147.04384	3.1
147.11685	1.1
148.07561	7.0
149.05951	4.4
150.05479	2.4
151.03888	2.1
151.07516	1.8
152.07057	3.6
153.07011	2.8
159.02896	21.1
159.04158	2.2
160.03909	3.3
161.05946	1.6
162.05513	6.9
163.35950	1.1
164.06984	2.0
166.04945	4.4
166.08635	100.0
167.07150	1.5
170.08350	1.4
172.03941	42.5
174.05524	2.9
177.04001	2.4
177.05429	5.5
178.04947	2.1
178.08670	1.1
181.05016	1.1
181.06473	4.6
189.03937	1.5
190.04987	18.3
191.06973	2.3
195.09204	1.6
197.10735	2.4
198.11577	1.1
204.06554	22.9
209.10693	3.3
210.11414	1.3
211.12309	1.4
212.09315	2.0
213.03958	3.1
213.09055	4.2
218.04506	1.2
222.11394	1.8
223.08513	2.8
223.12361	1.6
224.09392	4.3
225.10510	6.2
226.10982	1.5
227.11703	1.9
230.06596	2.0
231.04964	12.8
235.08675	3.0
236.09436	3.5
237.10207	16.6
238.10956	2.7
239.08073	3.3
239.11700	4.5
240.08751	1.3
241.08783	4.0
247.14328	1.3
248.07631	3.5
249.10257	2.7
250.07195	1.6
250.11092	1.9
251.08151	3.3
251.11894	9.2
252.08954	3.0
252.12460	2.9
253.09885	7.3
255.11272	4.9
263.11728	1.9
264.08862	2.3
265.09735	25.3
266.10471	4.5
267.11185	3.9
269.12802	1.3
271.10690	4.6
273.11136	18.0
277.09027	1.5
278.06616	9.9
278.09326	1.4
279.08179	1.8
279.11218	11.4
280.08398	2.4
280.12000	1.3
281.09229	4.1
281.12741	3.0
283.10696	6.2
285.11420	4.5
292.08099	2.1
293.09195	24.3
294.10028	5.4
295.10535	2.0
297.12143	9.3
299.10242	4.2
300.10828	1.2
307.10623	3.8
309.12027	4.6
311.10236	4.1
312.11011	4.1
313.11618	6.7
325.11862	22.1
335.10071	8.5
339.12384	3.1
340.10471	3.1
341.11301	33.9
343.12811	2.9
353.07272	2.0
353.11310	26.9
357.14386	3.6
363.12167	1.3
373.13715	5.3
381.12967	2.0
385.13943	6.7
418.17688	1.4
460.18594	7.9
462.20538	1.5
465.18942	10.7
478.19635	10.1
488.18161	14.3
489.16257	1.4
506.19247	62.1
507.19122	1.3
520.20306	2.1
538.21057	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	537.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37189	1.2
55.05503	1.7
56.05033	2.0
57.03436	1.4
58.99574	2.4
61.02930	1.6
65.03928	5.7
69.03419	4.3
69.36679	10.8
70.06589	26.6
72.08154	8.8
74.06086	2.1
74.45779	1.0
76.02222	13.7
79.05479	2.2
81.03416	8.1
81.07076	1.3
81.96603	1.0
83.04977	2.0
83.06085	1.1
84.04491	6.9
84.08144	8.8
85.02905	8.8
85.04845	1.8
86.09702	14.9
87.05569	1.5
88.03966	1.6
89.03893	5.4
90.04258	2.3
91.05488	5.4
92.05005	3.8
93.07021	2.4
94.06545	2.8
95.04956	2.3
95.07301	1.5
95.08567	1.4
96.08111	4.5
97.02861	3.5
102.05545	3.0
103.05397	1.4
105.07042	1.8
106.06608	1.3
107.04964	3.9
108.08115	7.5
110.07217	1.8
110.09687	5.6
113.07149	1.2
115.08640	1.5
116.01675	4.1
116.04950	2.4
117.03385	13.4
118.03699	8.8
119.04047	1.2
119.04958	1.4
120.04496	7.4
120.08109	16.3
122.03654	1.4
122.06001	4.4
124.07584	2.3
125.22376	1.3
127.03945	2.6
129.10229	8.6
129.56931	1.1
130.05006	2.7
134.03688	1.3
134.05968	1.4
136.07565	12.0
137.05959	20.5
138.05525	1.3
138.09129	9.5
144.01157	1.6
144.04411	7.5
145.02846	25.6
145.04759	1.1
146.03169	15.9
146.06049	1.4
147.03365	4.5
147.04459	2.2
148.03923	100.0
149.05965	3.0
150.06410	1.2
154.08650	2.4
159.09077	1.2
162.02179	5.0
162.05489	5.7
163.02588	2.0
166.04993	31.9
166.08635	20.7
167.05666	1.3
167.07001	6.2
172.03934	39.1
173.12904	1.3
175.07458	1.8
177.03203	2.5
177.05463	50.4
178.05801	31.9
179.04561	8.1
179.06165	14.3
180.04918	1.8
180.06400	6.1
190.04964	8.5
193.12233	1.4
194.12491	1.4
204.06551	84.1
205.06796	1.5
207.06400	1.4
211.13232	2.6
212.13614	2.6
222.07596	1.5
227.11722	1.9
233.05962	2.3
237.02664	2.2
255.11269	18.7
273.12286	17.6
283.10742	16.3
301.11813	73.5
308.09055	7.3
309.09341	6.6
319.12891	5.9
325.11664	3.8
329.15073	1.7
339.13486	2.4
343.12860	61.4
344.13303	1.5
357.14374	12.2
375.15466	2.2
451.80130	1.3
495.09726	1.3
519.19659	1.4
537.19922	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	537.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.2
54.53207	5.6
54.64214	4.2
55.01859	11.5
55.05504	17.5
56.04186	4.6
56.05015	5.1
57.03423	10.6
57.07055	8.5
61.02915	7.6
67.05485	20.9
67.30125	4.5
68.27174	4.8
68.99763	10.8
69.03430	52.0
69.07042	17.7
70.06573	8.3
70.10044	24.1
71.04983	10.9
71.70934	4.5
72.08162	5.0
73.02899	11.5
79.05484	25.7
81.03416	45.3
81.07050	62.6
83.08609	13.2
84.04507	62.2
85.02904	100.0
87.00838	28.4
91.05432	26.3
93.07050	38.7
95.04965	11.3
95.08609	45.0
97.02885	35.4
97.10165	8.3
99.04472	25.0
105.01839	22.0
105.07009	57.7
107.08595	53.7
109.02877	43.4
109.06504	9.5
109.10161	31.8
119.08576	35.5
120.08116	4.5
121.10156	38.7
123.11703	22.4
126.05532	27.6
127.03909	56.6
129.01865	7.7
131.08556	12.2
133.10156	25.8
135.08038	7.8
135.11671	18.1
136.07555	5.4
137.13242	5.9
145.04944	22.0
145.10144	27.2
147.02888	7.4
147.11673	23.1
149.13242	29.1
150.05565	6.7
157.10139	6.8
159.02875	17.5
159.11678	16.0
161.13237	23.1
163.14807	20.3
166.08630	7.4
167.05562	10.2
168.06680	6.5
169.10226	5.2
173.13277	16.5
175.14822	12.3
177.16472	5.7
186.07573	5.8
187.14792	10.2
189.16415	10.7
198.62958	4.6
201.16397	10.7
203.17949	5.2
210.07875	5.1
213.16345	5.0
215.17964	15.0
231.04976	12.9
231.21098	8.5
243.20866	5.6
269.22644	7.5
271.24106	36.6
272.07474	11.6
289.10684	20.3
289.25339	7.1
290.08542	27.6
299.06216	6.0
300.06180	14.4
397.27484	8.9
467.09225	4.9
506.19070	9.4
519.28790	5.7
537.31134	10.2
538.13391	14.2
553.95306	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	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07766	0.2
56.05017	0.5
58.06628	0.6
59.07370	0.2
60.08161	6.2
67.05500	0.5
71.00159	0.4
71.07369	2.4
75.24556	0.2
81.07043	0.7
86.09699	28.4
91.05798	0.4
93.07021	0.3
95.08580	0.4
98.98459	2.6
102.08434	0.2
104.10734	3.2
124.99995	20.8
135.21518	0.2
143.01025	0.4
167.05569	0.5
184.07327	100.0
185.07660	0.6
217.73941	0.2
258.11066	0.3
299.06113	1.0
449.26944	0.2
500.31699	0.9
518.24738	0.2
518.32373	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	536.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
57.03424	0.4
58.06606	0.4
59.07381	0.2
60.08162	7.5
66.92155	0.2
67.05488	0.3
69.07043	0.2
69.39555	1.6
71.07372	4.2
75.04459	0.2
79.05502	0.2
81.07056	0.5
86.09703	35.8
91.05801	0.3
93.07043	0.3
95.08607	0.5
98.98463	3.2
104.10739	6.2
109.99586	0.2
124.99998	23.3
143.01036	0.6
167.05576	0.3
184.07333	100.0
185.07764	0.5
197.04922	0.2
213.32306	0.2
225.49382	0.2
253.84009	0.2
258.11002	0.7
263.88840	0.2
266.43051	0.2
299.06073	0.6
335.25677	0.3
499.25571	0.2
518.32404	2.1
536.33484	8.1
537.32892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
54.90233	1.5
55.05506	15.6
57.03439	3.9
57.07085	7.5
57.07311	1.5
58.06600	1.6
60.08162	14.9
61.02930	2.3
67.05502	19.3
69.07065	26.4
69.35226	11.5
70.81049	1.5
71.07360	4.3
71.08624	4.9
79.05481	6.9
81.07047	23.4
83.08614	23.2
85.10189	3.8
86.09699	46.9
93.07040	12.2
95.08607	28.1
97.06513	6.3
97.10157	10.1
98.98451	3.2
104.10737	87.9
107.08567	9.5
109.10144	11.8
111.08065	3.6
111.11704	3.5
121.10135	20.6
123.11693	4.7
124.99992	27.7
125.13298	1.9
133.10139	2.1
135.11684	16.4
139.11140	1.8
149.13234	5.9
163.14810	3.4
165.16318	2.7
167.05563	2.4
184.07327	100.0
204.60913	1.5
247.24211	21.4
265.25256	44.9
274.53397	1.8
283.26190	7.9
291.42908	1.6
299.06235	3.7
300.26239	1.6
339.28912	50.2
357.29895	9.8
434.75784	1.6
518.35895	7.1
536.37152	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	537.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27500	0.2
52.45974	0.2
53.03941	1.3
55.01859	1.0
55.05488	0.2
57.03429	0.6
61.02916	0.5
67.05502	0.3
68.44390	0.2
68.99796	0.9
69.03429	3.1
71.04995	0.4
73.02902	0.4
79.05494	1.2
81.03416	3.1
81.07035	0.8
85.02903	6.7
87.00829	2.4
87.04464	0.2
91.05477	0.4
93.07031	0.6
95.04943	1.4
95.08549	0.3
97.02901	2.3
98.46935	0.2
99.04463	1.4
103.05509	0.2
105.01867	1.7
105.04520	0.3
105.07008	0.3
107.04950	100.0
108.05299	0.9
109.02872	3.1
109.06512	0.8
109.10115	0.2
110.09650	0.3
113.06000	0.2
117.01867	0.3
119.04926	0.5
121.06508	0.9
123.04436	0.5
127.03915	5.1
129.01863	0.5
131.04944	1.8
137.05966	3.9
137.22232	0.2
138.09117	0.3
139.86597	0.2
141.05460	9.2
145.04945	1.7
147.02899	0.4
147.04442	0.3
149.05975	8.3
153.05435	0.3
155.18089	0.2
159.02913	1.3
165.05473	9.6
166.08598	0.4
172.03947	0.3
173.05946	0.7
177.05473	0.4
183.06526	32.1
184.06810	0.4
195.06540	0.6
207.06566	0.7
213.03944	0.4
215.07022	0.2
225.07480	0.2
231.04767	1.0
239.07222	0.2
243.95636	0.2
249.07552	0.6
268.13815	0.2
271.09625	1.1
289.10693	50.9
290.11041	1.0
313.10794	0.3
331.11646	0.8
355.11780	0.6
379.11838	0.3
397.12811	0.7
473.86777	0.2
483.12778	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	537.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18026	1.4
53.03938	6.4
53.06832	1.4
55.01858	6.3
57.03423	3.1
61.02906	4.4
65.59826	1.3
67.05495	1.6
68.99788	6.8
69.03429	28.1
69.07063	1.5
70.06563	2.4
71.04992	3.2
71.51512	2.4
73.02905	4.5
79.05494	2.7
81.03417	24.7
81.07072	3.6
85.02900	42.8
87.00827	16.7
91.03930	1.8
91.05467	49.9
93.07001	3.0
95.04961	1.3
95.08595	2.4
97.02898	16.7
99.04447	9.5
100.11227	1.8
103.05442	2.1
105.01884	11.5
105.07026	100.0
107.08614	3.7
109.02870	26.6
109.10145	1.8
115.05437	3.3
117.01845	2.0
117.06982	3.8
121.06575	1.5
121.10129	2.1
125.02314	9.3
127.03918	41.9
129.01814	2.6
129.07007	3.3
131.08565	2.0
133.06499	21.4
133.10150	1.8
136.84334	1.3
141.06989	3.9
145.04958	9.9
147.02863	3.5
149.02328	3.7
153.07019	1.3
155.03381	12.6
155.08516	3.1
157.04962	33.2
159.02882	12.9
165.06996	5.6
167.05519	2.6
169.05081	2.0
169.06474	5.5
178.02585	3.8
181.04961	8.5
181.06319	2.0
183.08063	6.5
193.04956	9.2
193.06480	2.5
204.20477	1.5
210.06677	1.5
211.07487	5.9
231.04915	9.6
239.06989	9.3
247.06056	3.5
253.08504	1.8
255.06464	3.0
256.07330	4.6
271.09589	20.8
289.10681	83.6
299.06052	1.7
300.06601	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	536.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
67.05520	1.5
69.03434	0.8
69.07091	1.8
69.08085	0.6
69.16904	0.8
69.17309	6.7
70.06602	1.2
71.08624	1.6
73.04776	0.7
79.05516	2.0
80.05026	1.5
81.07080	2.5
84.04509	3.7
84.08141	1.2
85.02940	0.7
86.06101	2.9
90.78603	0.7
91.05465	1.5
93.07056	1.7
94.06606	1.2
95.05006	0.7
95.08613	1.8
98.21482	1.3
98.34415	0.7
101.07153	1.2
106.06581	0.8
107.07333	3.8
107.08566	1.1
108.08147	2.3
119.04980	1.2
119.08611	1.2
120.04507	2.8
120.08134	2.9
121.06581	0.9
121.08868	1.0
122.09648	7.1
122.10374	0.6
123.04523	0.9
129.06633	0.8
130.05032	2.6
135.06839	1.0
135.10538	0.6
136.07533	0.9
136.11267	1.2
137.06006	3.4
142.12251	5.7
147.07684	0.8
148.07581	0.9
150.05556	0.8
150.09125	22.6
152.07047	1.5
166.08615	1.5
167.05603	2.4
171.09178	0.7
176.10822	1.0
177.05453	1.0
184.09966	0.7
194.08223	1.6
196.17006	1.0
211.12332	1.1
212.09340	0.6
216.10266	1.4
223.08704	1.0
223.12311	1.1
224.09460	1.5
225.10307	2.9
235.08722	1.4
236.09390	1.5
237.10159	7.3
238.11055	1.9
238.18108	1.9
239.08266	1.3
239.11847	3.8
241.09726	0.8
248.09489	1.3
249.10260	7.3
250.11087	1.9
251.08076	3.4
251.11761	5.9
252.09113	1.0
252.12604	1.8
253.09679	5.8
254.10356	0.7
261.10358	1.9
262.11032	1.2
263.11679	4.2
265.09717	10.4
265.12540	1.0
265.13513	0.7
266.10529	1.6
267.11371	4.1
271.10831	2.7
271.14362	1.6
277.09766	3.0
278.10489	5.1
279.07742	3.5
279.11362	9.6
280.11948	1.9
281.09369	2.6
281.12906	1.9
283.10730	6.4
289.09698	5.7
291.11353	2.4
293.09595	1.2
293.12909	5.3
294.10016	5.0
294.13342	1.2
295.10852	3.0
296.11588	2.7
299.06247	5.1
299.10065	1.3
306.09726	1.2
307.10901	2.3
308.11551	1.4
309.12329	3.2
311.10272	5.4
311.13715	1.6
312.11050	2.4
313.11877	1.7
314.04196	0.7
314.12622	2.3
321.12451	0.9
323.13873	1.9
324.11166	2.1
326.12512	4.9
327.13324	9.2
335.10248	10.5
337.11731	1.1
339.13367	58.8
340.10373	1.5
340.14038	0.9
344.18384	5.7
352.10693	1.4
354.12115	1.5
355.12851	11.0
367.12875	44.8
368.13388	1.3
383.12430	0.8
390.29922	5.4
399.15793	1.1
408.31094	2.9
433.18295	0.7
438.29697	2.3
444.19348	2.0
463.20993	2.0
472.18573	12.1
476.21829	8.8
504.21255	100.0
505.21701	2.7
518.35620	1.6
522.22308	1.7
536.24841	4.2
536.36890	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	536.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.4
60.41727	0.5
67.05459	1.2
69.03395	0.6
69.18625	4.6
70.06553	0.7
72.08086	0.4
79.05448	0.7
81.03378	0.5
81.07014	1.2
85.02907	0.6
86.09665	0.8
91.05387	0.6
93.07019	0.9
94.06553	1.1
95.04921	0.4
95.08573	0.8
105.06991	1.0
106.06516	1.0
107.07333	3.6
107.08542	0.6
108.08120	2.1
109.10118	0.6
114.10615	0.4
119.08576	0.5
120.04465	3.3
120.08041	1.5
121.06462	0.5
121.08825	1.0
121.10154	0.7
122.06000	1.0
122.09652	5.3
125.83189	0.5
129.10130	0.5
135.06706	0.7
135.11662	0.6
136.07549	1.2
136.11148	1.8
145.02728	0.5
146.06003	1.0
146.32008	0.5
147.11658	0.5
148.07492	1.0
150.05479	0.8
150.09142	20.7
152.07013	1.7
164.10684	0.4
165.11560	0.6
166.08676	1.0
167.05513	0.9
177.05489	1.0
180.57446	0.4
194.08110	1.8
196.09799	0.6
197.10680	0.9
209.10712	0.6
213.10129	0.5
220.09918	0.8
221.10741	0.8
222.11559	0.4
223.08620	1.1
223.12279	1.8
224.09407	1.4
225.10254	2.6
226.10922	0.5
229.13402	0.9
235.08667	2.1
235.12209	0.5
236.09315	1.1
237.10210	7.4
238.10959	1.4
239.08025	1.0
239.11786	3.4
241.09653	0.6
247.08607	0.5
248.09319	1.5
249.10233	7.0
250.11082	2.4
251.08263	3.0
251.11780	6.1
252.08749	1.2
252.12637	1.3
253.09674	5.3
255.11221	0.6
261.10150	2.5
262.11008	1.2
263.08057	0.8
263.11853	2.9
264.08713	0.6
265.09726	9.3
266.10480	2.3
267.11270	4.7
267.14328	0.5
269.12698	0.5
271.10770	2.1
271.14359	1.3
277.09744	3.0
278.10474	4.3
279.07675	3.8
279.11255	11.1
280.12131	2.2
281.09183	2.9
281.12717	1.7
283.10785	6.5
283.13803	0.4
285.12308	0.9
289.09659	6.3
290.10406	0.5
291.11185	3.1
292.11853	0.5
293.09180	2.3
293.12827	5.0
294.09995	5.4
295.10693	3.7
295.14096	0.9
296.11618	1.8
297.08887	0.6
297.12082	0.9
298.09509	0.8
299.06152	2.3
299.10217	1.5
306.09747	1.2
307.10773	3.0
308.11633	1.1
309.09073	0.5
309.12170	2.3
311.10226	5.5
311.13861	1.6
312.10907	3.3
313.11664	1.8
314.12552	1.8
317.09042	0.8
321.08600	0.8
321.12036	0.7
323.10126	1.2
323.13907	1.7
324.10910	2.6
325.11859	1.2
326.12643	4.5
327.13385	8.0
328.13382	0.4
335.10242	9.8
337.11697	0.9
339.13385	61.6
340.10339	1.7
340.13922	1.2
344.97495	0.6
352.10501	1.3
353.11191	0.5
354.12103	3.4
355.12881	10.9
355.16843	0.4
360.17148	0.6
367.12863	44.5
368.13330	1.2
371.12393	0.7
384.16940	0.5
388.16296	0.6
399.15509	1.7
435.21570	1.2
444.19067	1.5
463.20999	1.8
472.18707	11.6
476.21902	7.5
486.20145	0.6
504.21286	100.0
505.21661	2.4
522.22266	1.6
536.24115	5.5
536.31061	0.5
536.37494	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	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80642	4.5
55.01855	4.2
55.05511	23.8
57.07057	10.2
61.05810	3.8
67.05501	85.5
69.03420	10.0
69.07063	23.6
69.32639	44.6
71.08619	12.2
79.05482	27.6
80.88267	4.4
81.03421	9.4
81.06597	6.9
81.07053	100.0
83.08617	22.7
85.02882	9.4
86.09692	5.2
87.04456	6.3
89.05998	5.4
91.05465	20.5
93.07040	27.6
95.08601	75.9
97.02875	10.5
97.06529	7.3
97.10157	7.6
98.21584	9.2
99.08099	7.3
104.23979	4.7
105.07006	18.7
107.08563	12.7
109.10159	35.9
119.08560	16.0
121.10172	25.1
123.11719	21.8
133.10115	15.3
135.11673	14.8
137.13237	10.4
140.25464	4.6
147.11665	10.6
149.13220	13.1
151.14821	5.7
155.14270	6.1
161.13257	16.8
163.14818	9.5
165.16408	8.1
175.14803	14.5
179.17993	4.8
184.07449	5.9
189.16402	6.9
227.20030	36.9
245.22620	50.0
263.23721	76.4
271.05539	4.5
301.12079	6.2
305.24625	5.7
326.44608	4.9
337.27341	20.8
371.25735	21.1
389.26675	16.7
407.27798	15.7
425.28903	4.9
437.71689	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	535.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.1
55.01876	0.5
55.05504	0.1
61.02914	0.1
63.24979	0.1
65.03923	0.2
67.01852	0.2
67.05502	0.2
68.99781	1.2
69.03415	0.5
70.06580	0.3
71.01364	0.1
71.04978	0.2
72.08149	0.1
79.05502	0.2
81.03409	0.4
81.07051	0.1
83.04966	0.2
84.08120	0.2
85.02893	0.4
86.09692	0.2
87.00806	0.2
91.05473	1.2
93.07036	0.1
95.04953	0.4
95.08598	0.2
97.02892	0.3
98.20724	0.2
99.04442	0.8
105.07015	0.2
107.01292	0.1
107.04944	0.5
107.08585	0.2
108.02087	0.2
109.02863	0.4
111.04449	0.7
119.04936	2.9
120.08122	0.1
121.06501	0.1
123.04410	0.5
124.01582	0.9
125.02342	0.2
125.72601	0.1
127.03905	0.5
133.10127	0.2
135.11597	0.1
137.02357	0.3
137.05931	0.2
139.03925	0.8
141.05464	0.3
145.02826	0.1
147.04402	11.9
152.01018	1.1
167.03391	100.0
168.03748	0.9
170.02090	2.0
177.05458	0.4
185.04456	4.7
203.58612	0.1
207.94261	0.1
221.12119	0.1
245.08038	0.6
271.05984	0.1
283.52563	0.1
287.09119	52.7
288.09372	0.8
350.32648	0.1
425.67142	0.1
449.14441	0.4
530.27313	0.1
535.14441	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	535.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.4
56.05043	2.4
61.02918	2.7
69.03418	3.7
69.07057	5.3
69.39120	1.7
70.06594	29.1
70.67510	6.2
72.08150	14.5
79.05483	4.2
81.03410	4.4
81.07042	3.5
84.04493	4.9
84.08154	10.6
85.02895	5.9
86.09703	57.6
89.03911	4.9
91.05479	5.4
95.04998	3.6
97.02879	5.8
97.06533	2.2
107.04943	5.4
109.06467	2.5
110.07104	4.2
117.03364	8.7
118.03622	2.0
119.04949	11.9
120.08109	6.1
121.02851	38.7
121.06522	3.8
127.03893	3.8
129.10249	10.2
131.04941	2.6
132.50380	2.1
135.04388	4.6
136.07552	6.6
137.05978	3.5
143.11824	2.2
145.02867	23.5
146.03183	9.2
147.04420	5.2
149.05949	3.9
152.06929	2.1
159.04492	2.8
161.05986	2.3
163.03935	2.6
164.07037	2.0
167.03450	15.7
168.06586	2.0
168.69009	1.9
169.34172	2.0
177.01929	3.8
177.05475	41.0
178.05794	20.7
187.03935	3.9
187.11082	2.4
189.01842	5.9
191.03377	2.9
195.02928	3.7
199.18111	12.5
203.03360	12.5
207.02850	6.8
207.06487	2.0
215.03386	7.2
217.04942	4.8
219.02921	3.8
221.04344	4.1
227.03387	2.7
227.17528	6.8
229.04947	2.7
231.02707	2.1
233.04489	3.1
243.02907	4.6
245.04289	2.1
249.75420	2.6
267.06366	3.4
268.07425	3.1
269.04379	2.0
273.04047	2.6
279.06500	3.0
280.07056	3.2
283.06122	2.9
287.05472	25.7
287.09155	12.4
292.07379	4.2
293.08041	3.4
294.05154	12.8
295.05988	49.3
296.06680	6.3
297.07556	4.3
305.08212	2.5
307.06012	45.2
307.09348	3.0
308.06784	12.3
309.04373	3.7
309.07544	18.1
311.63348	2.2
313.07086	2.5
317.08197	5.2
319.05707	4.3
320.06790	6.1
321.07513	44.7
321.11191	3.3
322.08252	5.7
323.09048	6.8
325.07080	36.0
326.24466	2.6
329.07925	6.5
331.05850	3.3
333.07504	30.0
334.08224	5.4
335.09003	14.1
336.06155	3.4
337.07053	31.6
339.08383	2.5
345.07535	13.0
347.09134	6.9
349.07025	38.4
349.10770	2.5
350.07526	3.0
351.08646	21.1
355.08032	4.7
359.09213	4.8
361.06958	24.7
362.07428	3.2
363.08612	20.7
367.08163	10.4
373.07138	12.2
373.13669	7.1
375.08847	13.0
379.08136	54.8
387.08780	10.3
389.10110	4.3
391.08127	46.3
393.09586	5.2
397.09213	34.4
399.08475	2.6
403.08029	10.9
405.09589	8.3
409.09180	42.2
415.08182	11.4
417.09644	9.0
421.09192	4.6
427.10364	31.3
433.09241	24.8
439.10336	2.6
445.09521	15.1
451.10297	34.5
463.10199	21.0
469.11319	58.5
481.11276	100.0
499.12335	69.8
517.13196	25.6
535.14063	7.7
535.23163	3.4
561.28125	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	535.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
53.03946	1.6
55.01631	0.2
55.01868	1.9
55.05498	0.2
56.05038	0.3
57.03433	1.1
60.04524	0.1
61.01144	0.1
61.02930	1.1
68.99782	1.2
69.03425	6.3
69.07051	0.2
70.06588	3.7
70.75820	0.3
70.76183	0.2
71.01352	0.2
71.04994	0.8
71.06910	0.2
72.07487	0.2
72.08150	1.4
73.02913	1.6
74.06061	0.2
79.05486	0.5
81.03413	7.8
83.01337	0.2
84.04490	0.7
84.08132	1.2
85.02901	11.3
86.09698	2.8
87.00821	5.1
87.01359	0.2
87.04447	0.1
87.05582	0.3
87.09998	0.2
89.03899	0.2
91.03939	0.4
91.05466	0.6
95.04985	0.3
95.08591	0.1
97.02882	4.0
99.04448	2.4
102.05508	0.3
103.03919	0.2
103.05463	0.2
104.05303	0.2
105.01865	2.5
105.03381	0.5
105.07017	0.2
107.04919	0.5
109.02875	6.5
109.10111	0.1
110.07152	0.5
111.00796	0.8
112.08775	0.2
115.03935	0.2
117.01852	1.2
117.03345	0.5
117.06976	0.2
119.04943	0.4
120.08106	1.5
121.02856	2.6
121.10071	0.2
127.03911	8.3
129.01822	0.5
129.06898	0.2
129.10223	0.8
130.04970	0.3
131.04936	0.2
133.02834	0.6
135.04399	0.3
136.07536	0.9
137.02332	0.9
137.05960	0.8
145.02824	1.8
145.04947	2.5
145.06493	0.2
146.03194	0.3
146.60849	0.1
147.02875	0.5
147.04408	0.8
147.05478	0.2
149.06010	0.4
151.03795	0.2
151.07549	0.3
152.07079	0.2
153.01817	3.3
157.06421	0.4
159.02888	3.9
159.07596	0.2
159.09079	0.1
161.05989	0.2
163.03911	0.2
163.07607	0.2
165.01799	1.6
165.05562	0.1
166.08438	0.1
167.03360	0.6
167.07045	0.4
171.04424	0.3
173.05959	0.2
177.03979	0.2
177.05441	3.2
178.05852	0.9
179.06940	0.3
183.02887	1.0
183.28404	0.2
185.05962	0.5
189.05528	0.4
197.05946	0.2
201.05571	0.2
213.03886	0.2
213.05505	1.2
231.04922	0.9
231.06599	0.6
234.07285	0.1
241.04883	0.7
243.17064	0.3
258.05206	1.1
259.05984	0.5
269.04483	0.3
287.05475	100.0
288.05814	1.3
299.05750	0.2
313.11823	0.3
329.06534	0.3
373.14035	0.6
395.07477	0.3
535.20728	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	535.1082
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03950	0.1
55.05497	0.1
57.03425	0.1
57.30064	0.1
65.03944	0.2
67.01862	0.1
68.99793	0.7
69.03419	0.6
69.07038	0.1
69.41472	0.6
70.06595	0.6
71.92375	0.1
72.08140	0.3
79.05467	0.2
81.03409	0.7
81.07014	0.1
84.04482	0.2
84.08122	0.3
85.02912	0.8
86.09710	0.7
87.00822	0.2
91.05473	0.2
92.61429	0.1
95.04954	0.2
97.02894	0.4
98.20732	0.1
99.04443	0.2
102.05559	0.1
103.05463	0.1
105.01852	0.2
105.03381	0.4
107.04953	0.4
109.02873	0.9
110.06039	0.1
110.07125	0.1
111.00798	0.8
111.04424	0.1
115.05504	0.1
117.03349	0.2
119.04951	0.1
120.08086	0.2
121.02859	3.6
121.06433	0.1
127.03901	1.4
129.01779	0.1
129.06970	0.1
129.10246	0.1
129.12242	0.1
131.04982	0.1
133.02872	0.5
135.04437	0.2
137.02342	1.2
137.05940	0.2
141.06982	0.2
145.02800	0.4
145.04942	0.3
145.06508	0.2
147.04413	0.8
149.05956	0.1
151.03876	0.1
151.07501	0.1
153.01817	4.7
157.06464	0.5
159.02873	0.3
159.35785	0.1
160.05098	0.1
161.05946	0.2
165.01839	1.9
167.03433	0.2
167.07040	0.1
168.07381	0.1
169.06488	0.1
171.02982	0.1
171.04425	0.3
175.03905	0.1
177.05470	0.7
178.05812	0.1
183.02902	1.0
185.05942	0.6
187.05959	0.1
189.05409	0.2
197.05949	0.1
199.03961	0.1
201.05457	0.2
203.03302	0.1
203.07091	0.2
213.05475	1.6
217.04951	0.1
229.04982	0.1
231.04578	0.1
231.06670	0.7
241.04930	1.2
243.06459	0.1
245.04448	0.2
258.05212	1.3
259.06024	0.4
269.04300	0.1
279.70905	0.1
286.04544	0.1
287.05478	100.0
288.05783	1.3
329.06384	0.1
344.70499	0.1
433.31555	0.1
449.10739	1.0
535.03333	0.1
535.10840	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	535.1083
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	1.9
55.01873	1.6
57.03427	0.7
61.02928	0.9
65.55643	0.1
68.99785	1.1
69.03427	5.8
70.06597	0.8
70.83020	0.4
70.83388	0.1
71.01344	0.1
71.04997	0.9
72.08135	0.2
73.02923	1.3
79.05485	0.2
81.03415	6.9
84.08145	0.3
84.56376	0.1
85.02901	11.0
86.09694	0.6
87.00826	4.9
91.03944	0.5
97.02305	0.2
97.02890	3.5
98.21462	0.2
99.04458	2.2
101.02364	0.2
103.03886	0.2
105.01864	2.4
105.03394	0.4
107.04932	0.4
109.02881	6.4
111.00811	0.7
115.03951	0.2
117.01858	0.8
117.03340	0.3
120.08130	0.3
121.02861	2.8
121.03780	0.2
127.03913	8.8
129.01875	0.8
130.04848	0.1
133.02812	0.4
135.04413	0.2
137.02310	0.6
141.38786	0.1
145.02824	0.6
145.04951	3.1
145.06232	0.2
147.02913	0.7
147.04401	0.5
153.01822	3.7
157.06488	0.5
159.02893	4.2
161.05960	0.1
165.01860	1.8
171.04390	0.3
175.07515	0.1
177.04118	0.2
177.05418	0.9
178.05710	0.1
183.02881	0.8
185.05934	0.4
199.03870	0.1
201.05678	0.1
213.03787	0.2
213.05574	1.1
231.04593	0.8
231.06735	0.5
241.04929	0.8
243.06516	0.3
257.04431	0.1
258.05228	1.2
259.06052	0.6
284.41055	0.1
286.04669	0.2
287.05484	100.0
288.05801	1.7
329.06522	0.4
414.14261	0.1
512.41095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.1
56.05014	0.6
58.06614	0.5
60.08160	6.6
66.02446	0.1
67.05492	0.4
69.07042	0.2
70.43430	0.4
71.07370	3.2
71.08606	0.2
79.05479	0.2
81.07030	0.3
86.09701	30.8
91.03513	0.2
91.05476	0.2
93.07034	0.3
95.08604	0.3
98.98457	2.8
104.10051	0.3
104.10738	4.7
110.48438	0.1
119.08508	0.2
124.99995	21.8
143.01042	0.5
166.02754	0.2
184.07330	100.0
185.07693	0.3
258.11136	0.2
281.43326	0.1
351.25674	0.1
486.79184	0.1
499.29196	0.1
516.30664	1.1
534.31952	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
56.05022	0.6
56.81754	0.2
57.03432	0.5
57.73379	0.2
58.06620	0.5
60.08159	7.6
67.05491	0.8
69.74061	0.2
70.06559	0.3
70.91264	0.5
71.07369	3.9
79.05499	0.2
81.07053	0.6
81.29919	0.2
86.09701	38.5
91.05482	0.2
93.07080	0.2
95.08606	0.4
98.98459	3.5
104.10737	5.8
105.07010	0.3
108.42263	0.2
109.10201	0.2
112.55227	0.2
124.99995	24.4
137.05974	0.2
143.01042	0.4
163.98145	0.2
183.34872	0.2
184.07330	100.0
185.07677	0.3
193.05075	0.3
195.11662	0.2
258.11023	0.7
266.96872	0.2
516.30804	2.2
534.31879	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.3
56.05028	0.7
58.06603	0.5
60.08160	6.3
64.34668	0.3
67.05505	0.8
70.06573	0.8
71.07375	3.0
71.60600	0.5
81.07044	0.7
83.82391	0.3
86.09702	31.8
89.80530	0.2
91.05473	0.4
93.07040	0.5
95.08589	0.5
95.74503	0.3
98.98457	2.7
104.10741	3.1
105.07059	0.4
109.10204	0.3
119.13226	0.3
124.99994	20.0
143.01103	0.3
170.69174	0.3
184.07330	100.0
218.67134	0.3
231.04092	0.3
231.07318	0.3
258.10962	0.3
304.12720	0.4
397.15048	0.4
498.29648	0.8
516.30847	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86680	0.7
51.14028	0.6
55.05511	1.6
56.05037	1.7
58.06588	1.6
60.08164	17.8
60.31617	0.6
62.57610	0.8
67.05501	1.4
69.30667	2.5
69.31091	5.4
70.06581	2.0
71.07372	6.6
73.23260	0.7
79.05483	2.5
81.07060	2.1
84.08135	1.2
86.09704	59.9
91.05471	2.4
93.07055	2.4
95.04996	0.8
95.08586	1.1
98.21507	1.9
98.98453	4.3
104.10738	100.0
105.07046	1.7
107.08603	1.2
119.08602	1.7
122.51460	0.7
122.63578	0.8
125.00001	27.3
125.00915	1.7
131.08582	0.8
145.02753	1.9
177.05453	2.7
184.07335	99.6
498.29843	7.5
516.30847	36.8
516.37384	0.5
516.38843	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	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72066	2.9
55.05512	21.7
56.18217	2.8
57.03422	8.2
57.07068	10.3
60.03596	2.5
61.02922	5.2
67.05505	79.7
69.07070	31.6
70.28874	10.4
71.08617	5.9
74.79578	2.7
79.05487	22.7
81.07053	100.0
81.07534	5.7
83.08610	23.5
85.02899	4.3
85.06578	3.0
86.09701	10.6
91.05447	18.9
91.74751	2.7
93.07043	32.8
95.08604	88.6
97.02859	3.8
97.06524	8.5
97.10177	13.3
98.21559	3.3
104.10737	19.8
105.07045	12.9
107.08595	15.3
109.10155	43.2
111.08071	4.3
118.85883	2.7
119.08571	16.7
121.10152	23.9
123.11703	25.4
125.00049	3.5
125.09715	3.6
125.13219	3.5
133.10095	16.1
135.11696	11.5
137.13268	9.1
141.12692	3.4
147.11687	13.8
149.13272	10.3
151.14844	7.4
155.14267	4.6
161.13281	16.9
163.14835	11.3
165.16409	8.6
175.14861	9.6
179.17955	8.3
184.07362	11.6
245.22658	59.4
263.23697	84.7
337.27362	64.7
355.28308	4.6
469.64148	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	533.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78805	0.6
53.03938	0.9
60.04512	1.2
69.03420	1.1
70.06579	4.0
71.21322	0.6
71.51382	0.5
72.08146	3.3
74.06067	1.3
78.92081	0.7
79.05473	4.6
79.17893	0.6
81.03399	1.3
83.06113	0.9
84.04494	2.8
84.08117	2.8
85.02883	2.7
86.09694	2.6
87.00804	1.1
95.04953	1.3
102.05513	2.0
104.07104	1.0
106.06542	7.1
107.04952	39.1
109.02905	3.5
110.07156	0.9
111.04452	0.8
120.32103	0.6
123.04410	5.8
127.03891	1.5
129.10213	1.0
130.06523	3.3
131.06046	3.3
132.04439	0.8
134.06018	16.9
135.04408	28.2
136.04749	0.7
145.02795	1.3
145.04903	0.7
146.06003	2.4
147.04512	0.8
152.07060	100.0
153.07382	0.8
158.06023	11.9
163.03868	1.5
171.11375	0.8
172.33316	0.7
177.05440	3.5
179.03305	1.0
192.08078	1.9
196.07571	0.7
208.56010	0.7
220.07549	1.8
238.08621	57.7
239.09004	0.9
244.08267	1.1
254.08217	1.6
256.09705	2.1
267.11237	3.2
268.09586	6.2
277.17447	0.7
280.09851	0.7
285.12329	22.4
327.13428	0.8
533.17505	2.9
533.29645	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	533.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01867	3.5
55.05513	2.1
57.03437	6.0
57.07064	0.7
61.02927	10.5
63.41594	0.7
67.05501	2.3
69.03430	28.7
69.07067	7.6
70.06593	5.8
70.87023	1.5
71.05011	2.9
72.08158	1.8
73.02920	3.6
73.49709	0.6
79.05488	3.2
81.03419	13.6
81.07047	4.1
83.01334	1.0
83.04980	1.3
83.08617	2.3
84.04494	0.7
84.08152	2.0
84.36128	0.6
85.02907	100.0
85.06549	1.0
86.09716	3.1
87.04469	4.5
91.03957	5.1
91.05507	2.4
93.07034	3.4
94.28025	0.6
95.04964	6.7
95.08613	4.6
97.02894	35.7
97.06516	3.3
99.04472	6.4
103.05392	0.7
105.07037	3.0
107.04955	2.7
107.08583	5.4
109.02877	9.6
109.06516	5.1
109.10145	1.8
111.04441	1.6
111.08082	1.2
115.03865	0.7
119.08598	3.6
120.08096	0.9
121.06508	4.1
121.10142	3.2
122.07291	3.9
123.08072	19.2
126.35236	0.6
127.03919	27.3
127.07519	0.7
129.10210	0.8
130.05051	0.7
131.08545	0.9
133.10156	5.1
135.08058	29.4
135.11699	4.3
137.05995	1.6
137.09637	1.7
139.07654	0.7
145.04962	39.7
145.10092	1.0
147.11703	2.8
148.08858	1.9
149.09619	1.4
149.13235	1.4
155.20970	0.7
161.13113	0.9
163.06027	5.7
163.11194	0.9
163.14856	1.5
165.12755	19.8
171.06516	1.7
173.13219	2.0
175.14824	3.3
176.11990	2.9
177.05490	1.2
189.07576	2.7
191.14310	78.4
192.14687	1.0
193.15868	10.7
207.13867	3.5
209.15358	13.5
309.17090	1.5
335.18762	0.8
353.19623	3.0
371.20667	8.2
533.19379	1.0
533.25922	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	534.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01858	0.3
55.05488	0.5
56.05016	0.8
56.99023	0.3
57.03405	0.5
60.04509	0.6
61.02915	0.8
62.79583	0.2
63.40217	0.3
65.21116	0.3
69.03133	0.2
69.03427	2.5
69.07066	0.3
69.37478	2.2
70.06586	4.9
71.04964	0.3
72.08147	5.3
73.02904	0.5
74.06076	0.5
74.17226	0.3
81.03406	0.9
84.04499	2.1
84.08140	2.0
85.02892	5.7
86.09695	4.2
87.04501	0.4
87.05560	0.3
89.03914	2.3
91.03938	0.3
91.05462	1.0
93.07104	0.3
94.71577	0.3
97.02886	1.7
98.06062	0.3
98.21471	0.5
99.04430	0.5
99.17998	0.2
102.05537	1.3
104.05305	0.9
106.06554	0.6
106.07280	0.3
107.04932	0.8
109.02847	0.8
110.07162	1.0
110.09705	0.3
112.08726	0.2
113.07114	0.4
116.07036	0.3
117.03372	7.5
118.06536	1.9
119.04925	0.6
120.08085	0.3
127.03902	1.2
128.04967	0.4
129.10229	0.9
130.05026	0.3
130.06506	1.9
132.04451	0.6
133.03185	0.3
134.03648	0.7
134.05980	1.4
135.04414	1.4
136.07555	0.7
137.05974	1.2
141.06564	0.3
145.02832	19.2
145.04752	0.6
146.05992	5.4
146.60034	0.2
147.04384	0.9
148.03918	0.3
149.05965	3.8
150.05678	1.3
151.03922	1.0
152.07074	0.7
156.04453	0.9
158.06007	0.9
159.07617	0.3
159.11299	0.4
162.05499	0.3
163.03912	1.4
164.07204	0.5
166.07245	0.4
167.07011	0.8
169.06126	0.3
171.14937	1.1
173.12874	0.5
174.05476	4.7
174.06915	0.4
175.03981	0.5
177.05452	51.3
178.05875	0.6
184.03931	12.0
186.05505	0.9
187.10732	0.3
191.06969	0.3
196.06071	0.3
197.21202	0.3
199.14417	0.5
200.03482	0.5
201.12299	0.5
202.04971	100.0
203.05292	1.0
207.06531	1.1
218.04541	0.4
222.04044	0.3
239.09021	0.4
248.05519	11.3
252.06392	0.3
284.09213	0.7
287.05313	0.5
308.09009	0.3
318.11310	0.5
326.10193	11.0
372.10727	33.8
373.11246	0.6
392.09787	0.5
410.10840	1.1
414.11450	0.4
534.15546	4.5
534.27319	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	534.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
60.04509	0.5
61.02914	0.5
63.02369	0.5
69.03413	1.3
70.06581	2.2
72.08147	2.2
73.08477	0.3
74.06055	0.4
79.05484	0.7
81.03442	0.4
84.04495	1.3
84.08148	1.7
84.34529	0.3
85.02895	2.9
86.09699	3.2
87.05573	0.5
88.62357	0.3
89.03914	5.6
91.03921	0.3
95.04941	0.6
97.02870	1.1
99.32719	0.3
102.05540	0.5
107.04936	1.3
110.07185	0.6
111.04431	0.4
111.08727	0.3
117.03370	12.3
120.08051	0.4
121.09827	0.3
123.04443	0.3
126.05519	0.4
127.03920	0.5
129.10237	0.9
134.03549	0.5
135.04401	12.3
135.05423	0.8
137.05956	0.4
145.02835	30.5
146.03195	0.5
147.04390	0.3
147.06461	0.6
149.05962	3.2
150.05476	0.5
152.07014	0.5
159.11246	0.7
163.03891	100.0
164.04314	0.8
167.07054	0.5
173.12840	0.3
177.05458	46.5
178.05850	0.4
186.05420	0.6
187.10684	0.4
193.07045	1.7
200.85976	0.3
202.04951	1.1
217.08220	0.5
287.05588	0.4
339.11084	0.4
355.10028	0.4
363.55899	0.3
372.10361	1.7
534.19983	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	534.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
53.46880	0.2
55.01872	0.2
57.03439	0.5
61.02648	0.2
61.02921	0.9
63.02370	0.4
64.80840	0.1
69.03431	2.1
70.06580	0.2
70.80008	0.3
73.02888	0.2
73.49657	0.2
78.04707	0.3
81.03423	0.9
85.02380	0.2
85.02900	4.3
85.03383	0.3
86.09702	0.2
87.04475	0.2
89.03915	6.1
91.05461	0.4
97.02885	1.0
99.04424	0.2
102.26373	0.1
103.05459	0.3
106.04163	0.3
108.03149	0.1
109.02905	0.5
109.81090	0.1
117.03378	18.1
119.04958	0.3
120.08141	0.2
127.03938	0.6
132.04460	0.3
134.03632	1.3
135.04424	1.1
135.71336	0.1
145.02846	47.6
146.03177	0.3
149.05984	5.9
150.05504	0.4
162.03168	0.2
163.03928	0.4
177.05469	100.0
178.05785	0.6
186.05490	1.1
196.06099	0.4
339.10956	0.2
372.10797	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	534.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.1
53.03934	0.2
55.01862	0.2
56.34169	0.1
57.03439	0.5
60.04525	0.1
61.02919	0.5
62.01598	0.1
63.02387	0.3
69.03426	1.8
70.06586	0.4
70.63720	0.2
71.04993	0.1
72.08150	0.3
73.02911	0.2
77.03931	0.1
78.04680	0.3
81.03423	0.8
82.77216	0.1
83.01336	0.1
84.04497	0.2
84.08129	0.2
85.02901	3.8
86.09693	0.3
87.04451	0.2
87.05595	0.1
89.03909	5.6
91.03969	0.1
91.05485	0.5
95.04972	0.2
95.89262	0.1
97.02889	1.3
99.04436	0.2
103.05450	0.2
105.03382	0.1
106.04156	0.3
106.42506	0.1
107.04927	0.1
109.02885	0.5
110.07154	0.1
117.03371	17.1
118.03765	0.1
119.04933	0.2
120.87064	0.1
121.06474	0.1
124.05215	0.2
127.03898	0.6
129.10263	0.1
131.04955	0.1
132.04434	0.2
133.05237	0.2
134.03624	1.0
135.04422	1.2
137.05978	0.2
145.02835	43.1
146.03175	0.3
147.04395	0.2
148.03761	0.1
148.06081	0.1
149.05971	5.7
150.05469	0.6
152.07060	0.2
158.06013	0.3
162.03102	0.3
163.03860	0.4
167.07031	0.3
174.05571	0.1
177.05457	100.0
178.05965	0.7
186.05499	1.0
196.06047	0.5
202.04999	0.3
230.12222	0.1
268.11804	0.1
286.07431	0.1
312.08563	0.1
321.09616	0.1
354.13437	0.1
363.85147	0.1
372.10721	2.8
372.14389	0.2
534.15222	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
54.40575	0.2
55.01866	0.4
55.05521	0.4
56.05028	0.3
57.03429	0.6
61.02927	0.8
63.02373	0.3
69.03429	1.8
69.07061	0.2
70.06593	4.7
70.99635	0.3
70.99952	0.4
71.04958	0.3
72.08151	1.9
73.02904	0.3
74.06078	0.4
77.02942	0.2
78.04716	0.4
81.03426	1.3
84.04487	1.1
84.08148	1.8
85.02901	4.2
85.17334	0.2
86.09708	3.2
87.05619	0.3
89.03910	6.2
89.04430	0.5
91.03974	0.3
91.05482	0.7
95.08652	0.3
96.04433	0.2
97.02893	1.5
99.04467	0.3
101.07159	0.4
103.05492	0.2
104.05328	0.6
106.04160	0.3
107.04966	0.3
107.10586	0.2
109.02881	0.6
110.07178	0.6
116.07127	0.4
117.03377	16.4
118.03716	0.3
119.04953	0.8
120.08104	0.9
121.06486	0.4
124.05193	0.2
127.03911	0.9
129.06552	0.2
129.10248	1.0
130.05035	0.3
130.06528	0.4
132.08078	0.2
132.42186	0.2
133.32434	0.2
134.03613	1.2
134.06015	0.2
135.04404	1.5
136.07581	0.8
137.05988	0.5
145.02840	44.6
146.03181	0.5
147.04431	0.3
149.05968	5.2
150.05528	1.0
151.07452	0.4
152.07002	0.4
153.06429	0.3
158.05995	0.4
159.09203	0.4
162.03116	0.2
163.03926	0.5
164.07191	0.3
167.03416	0.6
167.07010	0.3
173.12938	0.3
177.05463	100.0
178.05817	1.0
179.07057	0.3
186.05504	1.4
196.06029	0.4
202.05067	0.3
217.08640	0.3
248.05446	0.3
248.09093	0.3
248.17900	0.3
277.08554	0.4
287.09186	0.5
309.11221	0.2
326.11517	0.2
327.01175	0.2
341.13922	0.3
372.10730	3.2
534.19153	0.7
534.32574	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	531.3313
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
52.65103	2.0
53.03934	4.4
55.05508	89.0
59.42757	1.8
60.21643	1.8
66.83625	1.7
67.05501	65.1
69.07072	12.7
71.12984	5.7
79.05486	20.2
79.74483	1.9
79.82681	1.7
81.03419	14.1
81.07050	74.0
83.04976	3.3
83.08615	96.4
83.59132	2.3
85.06546	3.2
87.04440	6.2
89.03910	6.5
91.05469	16.2
93.07042	22.7
95.04964	5.7
95.08601	70.9
96.48133	1.9
97.06525	5.0
97.10151	9.2
99.08083	3.3
105.07021	8.3
107.04961	3.5
107.08588	16.1
109.10151	27.8
111.08039	4.9
117.03370	7.8
119.08585	12.1
121.10134	19.7
123.11707	10.9
131.08553	8.6
133.10101	15.9
135.04401	19.4
135.11699	18.7
137.09593	4.0
137.13264	4.5
143.40141	2.2
145.02820	9.8
145.10133	5.8
146.38216	2.4
147.11673	7.5
149.13268	11.3
151.11179	10.9
159.11728	5.9
161.13281	2.9
163.03897	100.0
163.14798	2.6
169.12224	2.4
181.04965	12.6
193.12201	5.4
195.13792	2.4
215.17952	20.4
233.18967	15.9
251.20030	39.8
304.02838	2.0
333.27774	4.0
334.77637	2.2
334.82047	2.2
531.40289	19.2
543.15820	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	532.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.05015	0.6
58.06591	0.6
60.08163	6.4
67.05494	0.5
67.33858	0.3
70.06586	1.3
71.07374	3.1
71.55632	0.3
73.02901	0.3
79.05490	0.4
81.07046	0.8
84.08135	0.2
85.02885	0.2
86.09701	30.5
90.86979	0.3
91.05440	0.3
93.07016	0.4
98.98457	3.3
99.04462	0.3
104.10736	3.4
105.07013	0.5
107.04948	0.3
107.08573	0.4
119.08542	0.3
121.06470	0.3
124.99995	21.1
131.08528	0.3
133.10123	0.3
137.05911	0.2
143.00989	0.4
149.86530	0.2
184.07330	100.0
185.07655	0.8
212.15250	0.3
303.03284	0.3
315.69904	0.3
424.24741	0.4
514.29193	1.0
532.30298	4.2
533.30219	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	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89044	1.7
52.66106	1.7
53.03949	9.8
55.01878	5.9
55.05510	26.2
57.03431	9.1
57.07067	7.1
61.02919	3.0
65.03931	5.1
67.05503	89.6
69.03423	23.6
69.07066	24.7
69.42827	15.1
71.04990	7.4
71.55749	1.6
73.02925	4.8
77.03908	1.8
79.05491	88.6
81.03421	22.1
81.07053	99.9
83.04971	10.9
83.08612	12.1
85.02903	21.4
85.06529	3.1
89.18180	1.8
91.05480	59.8
93.07040	100.0
95.04969	14.4
95.08604	75.0
97.02896	15.4
97.06523	7.9
97.10161	6.0
99.04436	7.8
103.03901	2.4
105.07021	47.4
107.04942	2.5
107.08589	53.1
108.04471	4.2
109.02863	5.9
109.06508	7.2
109.10159	30.9
111.04422	8.7
111.08083	2.6
115.05405	2.3
117.05512	2.5
117.07020	22.2
119.08578	41.6
119.09376	3.3
120.76907	1.6
121.06507	5.1
121.10140	45.6
121.17368	1.9
123.08071	4.3
123.11692	12.5
124.37485	2.0
127.03927	7.7
128.06239	2.7
129.05466	4.3
129.06978	10.7
130.07841	1.9
131.08554	36.2
133.06493	4.1
133.10120	31.7
135.08076	4.5
135.11681	34.2
137.09650	3.7
137.13239	4.2
139.11154	1.8
141.06967	4.0
143.08592	11.2
145.04970	3.9
145.06525	4.1
145.10135	27.5
147.08055	4.6
147.11697	23.8
148.98694	1.7
149.09633	3.7
149.13254	17.7
151.07556	2.3
151.11156	2.5
153.09137	1.8
153.12726	1.9
155.08542	5.6
157.06541	2.6
157.10144	10.4
159.08041	3.0
159.11691	27.5
161.09616	2.8
161.13235	16.0
163.11156	4.1
163.14810	7.4
165.12807	1.8
167.08565	2.7
169.10110	3.4
171.08072	3.8
171.11726	9.7
171.74452	1.9
173.09605	4.1
173.13248	19.7
175.11165	3.7
175.14880	5.7
177.12746	3.9
177.16275	2.8
183.11720	5.4
185.13330	8.7
187.11140	3.5
187.14772	9.9
189.12732	3.4
193.12280	2.9
195.11679	2.6
197.09715	2.4
197.13271	4.3
199.11174	2.5
199.14844	4.8
201.12599	2.9
201.16394	2.2
203.14293	2.2
209.13364	2.4
211.11073	2.5
211.14825	2.2
213.12732	2.2
217.12297	2.4
219.17352	2.5
225.12851	3.7
227.14348	2.1
235.16943	2.0
241.19507	4.6
243.21016	12.7
247.16724	2.1
247.47751	1.9
249.14888	2.0
255.34836	2.0
259.20630	10.2
261.22128	47.7
271.20560	2.7
273.22198	4.7
277.14352	3.1
277.21646	8.5
279.23239	2.8
285.22116	3.3
289.21613	5.6
291.23157	5.1
297.22177	2.6
299.16583	2.5
299.20160	1.9
301.21750	6.8
303.23117	12.3
313.21530	2.6
315.23047	9.1
319.22894	3.0
323.23392	3.2
327.23300	5.5
333.22198	2.7
335.25620	2.4
341.24878	5.2
345.24371	4.5
351.23157	10.3
353.26898	3.3
369.24225	36.7
387.25287	27.0
405.26303	29.9
423.27628	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	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
55.01859	2.6
55.05512	18.6
57.03422	4.8
57.07067	3.7
59.65721	1.5
65.03928	4.1
65.68526	1.6
67.05502	65.0
67.68266	1.6
69.07063	19.4
69.44862	10.4
71.04980	3.6
79.05491	49.5
81.03417	5.6
81.07050	70.2
82.81644	1.5
83.04977	5.9
83.08618	12.1
85.06515	2.6
91.05474	29.3
93.07037	61.8
95.04968	8.1
95.08607	37.1
97.06519	10.1
98.76972	1.6
99.08096	2.5
105.04513	3.1
105.07037	17.9
107.08589	31.5
109.06490	2.6
109.10167	12.3
111.08072	5.3
117.07014	10.0
119.08579	16.2
121.10136	25.5
123.08087	1.7
123.11710	4.0
129.06995	4.2
131.08542	17.5
133.10132	12.5
134.76488	1.3
135.11681	14.6
137.09598	1.9
143.08588	5.1
145.10121	11.7
147.11676	8.6
149.13234	20.1
157.10176	5.2
159.11708	14.1
161.13301	3.0
163.11113	2.7
163.14864	2.0
171.11711	3.6
173.13260	6.4
175.14861	2.4
177.12744	5.3
185.13205	4.1
187.14796	3.1
195.13824	6.9
211.14851	2.1
227.89558	1.5
261.22211	6.0
293.43903	1.6
317.24780	2.0
393.08215	1.6
419.33279	2.8
437.34067	6.5
455.35172	2.0
511.37653	2.6
529.38861	100.0
530.39203	4.3
557.28394	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01856	3.2
55.05273	1.2
55.05508	17.4
57.03426	3.6
57.07062	3.0
63.22514	0.9
65.03942	4.5
67.05502	64.9
69.03409	1.8
69.07067	21.3
69.49014	8.0
70.06564	1.1
71.04981	3.1
71.08608	1.2
77.03961	0.9
79.05490	49.2
81.03413	7.7
81.07053	66.2
83.04973	4.4
83.08614	13.6
85.06541	3.1
85.95055	0.8
87.04469	1.7
88.07595	1.2
89.02718	1.0
91.05477	30.1
93.07037	61.0
95.04977	8.5
95.08601	34.2
97.06533	7.1
97.10166	3.3
98.20770	2.2
99.08087	2.8
102.09148	1.9
105.04509	2.3
105.07030	21.2
107.08585	30.6
107.57199	0.9
109.06516	3.4
109.10140	11.0
111.08074	3.9
115.05472	1.2
117.07027	10.4
119.08586	13.5
121.06454	1.1
121.09329	1.8
121.10146	23.8
121.11034	1.2
122.70861	0.9
123.11732	3.3
125.09634	1.4
129.07005	3.5
131.08559	16.5
133.10132	12.1
135.11685	13.9
137.09680	1.3
141.07121	1.0
143.08545	4.6
145.10091	10.1
147.11702	7.0
149.09637	1.1
149.13255	22.7
155.08524	1.6
157.10152	4.2
159.11687	14.3
161.13271	4.8
169.10106	1.9
171.11676	3.2
173.13251	6.0
177.12715	4.6
183.11661	1.8
185.13318	2.1
187.14841	3.1
193.12274	2.6
195.12074	1.4
195.13814	6.5
197.13232	1.3
199.14888	1.8
243.21165	1.3
256.26303	9.9
261.22198	3.4
323.78677	1.0
390.40381	1.1
419.33246	2.0
437.34268	5.6
455.34882	2.1
511.37961	2.8
529.38885	100.0
530.39246	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	533.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
54.03401	0.2
55.01858	0.8
55.05497	0.4
56.05021	0.4
56.65377	0.3
57.03428	0.4
60.04504	0.6
61.02917	0.3
63.02400	0.2
67.05470	0.4
67.42660	0.2
69.03429	2.1
69.07053	0.3
70.02943	0.3
70.06259	0.3
70.06589	2.8
71.04987	0.3
71.54465	0.4
72.04509	0.5
72.08150	2.3
73.02898	0.4
74.06069	0.5
79.05475	0.7
81.03390	1.9
82.06535	0.4
83.06081	0.3
84.04507	1.6
84.08139	2.0
85.02895	3.0
86.09693	4.2
87.00820	1.0
87.05566	0.3
87.10004	0.2
89.03905	1.0
91.05477	0.7
94.06519	0.3
95.04953	0.3
97.02887	1.1
98.06046	0.2
99.04453	0.6
102.05526	0.7
105.01883	0.4
106.06542	1.4
107.04951	6.5
108.04458	0.3
109.02863	1.6
110.07143	0.5
117.03364	2.8
117.05709	0.3
119.04961	0.2
120.08095	0.5
122.06000	0.5
123.04416	11.0
125.02352	0.3
126.05518	0.3
127.03918	2.1
127.08609	0.3
129.01805	0.4
129.06583	0.4
129.10231	1.0
130.05025	0.4
130.06525	7.3
131.04924	0.3
131.06021	0.6
132.04439	1.8
134.06018	3.4
135.04401	6.8
136.07541	0.5
137.05978	0.4
138.05431	0.4
140.07130	0.4
144.06488	0.5
145.02832	6.0
145.04893	0.5
146.06001	2.8
147.04422	0.6
147.07671	0.4
149.05936	0.8
152.07051	20.2
156.06570	0.6
158.06003	23.5
159.02855	0.5
159.04263	0.3
160.07533	0.3
162.05452	0.5
162.07555	0.5
163.03917	0.4
164.07094	0.5
165.06978	0.8
170.05939	0.4
173.12912	0.3
176.07060	0.8
177.05453	12.1
182.09546	0.5
186.12398	0.3
188.07007	0.4
191.07297	1.0
192.08066	6.4
193.06485	0.3
194.08162	0.4
201.12331	0.3
207.06551	0.3
210.09103	0.8
211.94742	0.2
214.11824	0.3
216.08522	0.3
220.07539	5.1
221.08240	0.5
224.07050	0.5
231.04988	0.3
236.07089	0.6
238.08603	100.0
239.08981	1.8
244.08130	0.8
248.07938	0.2
250.08571	0.5
254.08095	2.1
256.09656	3.4
260.07553	0.6
267.11420	1.3
268.09686	6.4
275.16006	0.6
278.08612	0.6
280.09866	0.8
285.12314	25.9
286.12711	0.4
327.13409	0.4
364.10419	0.5
372.10651	0.4
400.12735	0.4
486.13934	1.1
515.16541	0.5
533.17480	3.0
533.29883	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.4
55.05502	10.1
55.22510	2.7
57.03421	8.2
61.02914	13.0
64.42467	3.0
67.05508	17.0
69.03423	7.5
69.07053	13.2
70.06600	3.2
71.55870	3.4
75.38617	3.1
79.05495	14.5
81.03423	4.6
81.07052	27.5
83.08619	8.0
85.02902	11.9
91.03942	5.8
91.05473	18.8
93.07034	25.3
95.04974	7.8
95.08610	20.0
97.02883	9.4
97.06490	4.8
105.07037	21.7
107.04944	6.4
107.08595	12.5
109.06497	4.7
109.10136	8.1
109.95971	2.9
111.08105	4.1
115.03971	3.4
117.07027	4.8
119.08599	10.4
121.06493	9.5
121.10133	10.5
123.26619	3.4
125.09657	3.2
131.08553	14.3
133.10130	14.1
134.54257	2.9
135.08038	5.3
135.11685	5.3
145.10117	10.9
147.11684	7.1
149.09630	6.7
159.11644	10.7
161.09724	4.1
163.11189	10.1
173.13216	3.4
175.11090	3.7
177.12700	3.3
201.12645	4.6
239.17928	4.7
257.19003	10.0
275.20041	67.5
293.21158	11.3
349.23724	100.0
350.24368	4.9
367.25061	4.1
482.99487	3.1
529.33472	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01851	1.5
55.05515	12.2
57.03422	4.6
57.07064	2.8
57.50234	1.3
66.32349	1.0
67.05505	31.1
69.07066	13.5
71.13812	3.5
79.05494	22.7
81.03413	4.2
81.07057	32.4
83.04992	1.5
83.08629	7.4
85.06510	2.0
91.05483	19.1
93.07046	24.4
95.04949	3.7
95.08601	22.4
97.06537	3.3
97.10166	2.3
101.70195	1.2
105.07032	18.8
107.08587	12.2
109.06556	1.4
109.10163	8.8
111.08075	2.4
115.78516	1.1
117.07020	11.1
119.08580	13.9
121.10107	8.5
123.11746	2.0
126.96841	1.3
129.06989	6.0
130.07716	1.3
131.08568	18.7
133.10120	12.3
135.11684	6.8
141.07011	2.7
142.07744	1.3
143.08553	7.2
144.09425	1.3
145.10138	20.4
147.11720	6.6
149.13258	4.7
155.08559	3.7
157.10129	6.0
159.11676	14.1
161.13286	5.3
169.10164	5.3
171.11702	7.5
173.13275	8.3
175.14822	1.9
181.10152	1.7
183.11749	5.8
185.13248	6.0
187.14888	2.8
193.12225	1.5
195.11728	1.9
195.13718	1.8
197.13289	4.1
199.14906	2.9
201.16457	1.4
213.16455	1.8
217.43610	1.5
223.14813	1.8
239.18121	1.6
261.35883	1.4
329.24783	1.4
419.33020	3.3
437.34222	12.1
455.35272	4.6
473.36362	2.7
511.37726	7.8
529.38879	100.0
530.39594	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	531.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50797	0.2
53.03965	0.2
55.01873	0.3
55.05504	0.5
56.05029	0.7
57.03422	0.4
60.04531	0.5
61.02911	0.2
65.03932	1.1
69.03431	3.2
69.07039	0.3
70.06593	4.8
71.06924	0.3
71.57344	0.3
71.57758	0.3
72.08154	3.4
74.06087	1.3
75.05577	0.2
77.03927	0.5
81.03415	0.9
84.04510	2.0
84.08132	2.5
85.02900	3.3
86.09705	6.8
87.05578	0.3
87.10086	0.2
88.03996	0.3
89.03927	0.5
91.05481	17.8
93.47519	0.2
95.04933	0.3
97.02891	1.3
99.04445	0.4
101.07138	0.7
102.05548	0.7
103.05473	0.6
105.03423	0.4
107.04942	0.4
108.63078	0.2
109.02878	0.5
110.07156	1.3
113.07111	0.2
115.08722	0.4
118.04180	0.4
119.04940	27.3
120.05268	0.3
120.08102	1.8
121.02936	0.3
121.06517	0.2
127.03898	2.1
127.08566	0.2
129.03374	0.7
129.06593	0.3
129.10248	1.7
130.04915	0.3
131.04918	0.3
132.02063	1.2
132.10159	0.4
133.02847	0.3
135.04434	0.6
136.05188	0.6
136.07568	0.7
136.19267	0.2
137.05986	0.3
143.11795	1.1
145.02824	0.8
145.04977	0.6
147.04411	24.1
148.04810	0.4
149.02341	0.8
150.05319	0.2
156.07657	0.2
157.03946	2.0
159.09207	0.2
160.07603	0.2
162.03120	0.3
162.05481	0.4
163.03929	0.4
163.05849	0.3
164.04701	1.1
167.07114	0.3
171.11302	0.4
175.03906	41.7
176.04257	0.6
177.05515	0.4
178.02699	0.2
179.07028	2.1
187.07132	0.2
192.04210	0.6
201.12367	0.5
207.06525	100.0
208.06808	1.2
215.13860	0.3
225.07549	0.8
230.11310	0.6
235.05965	0.3
242.15041	0.3
243.13365	0.4
291.08749	0.3
351.10776	1.7
369.11740	2.0
531.19440	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	530.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79248	9.6
55.05511	16.6
61.30830	9.1
61.81397	9.4
65.77885	8.9
66.73866	10.1
67.05504	97.3
69.07071	14.3
74.68909	9.0
79.05500	44.9
81.07042	100.0
82.07354	12.0
91.05499	32.4
93.07051	53.3
95.08598	60.1
105.07018	26.0
107.08583	35.0
109.10145	23.3
119.08603	15.7
121.06531	10.7
121.10138	27.6
123.11688	15.6
127.82220	15.1
128.18481	9.5
131.08632	11.3
133.10127	29.0
135.11674	30.0
137.13222	11.3
143.08554	10.4
145.10057	12.7
147.11685	18.9
159.11711	13.0
171.11644	13.0
195.00328	79.4
196.00700	14.9
199.14816	10.5
217.19501	25.0
241.19452	28.0
259.20590	22.7
297.81427	12.1
335.25888	15.5
336.25977	11.7
340.65738	10.9
351.25430	14.8
503.73337	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25205	0.9
52.04858	1.0
53.03938	4.7
55.01851	2.8
55.05514	16.0
57.03433	3.2
57.07074	6.5
60.40911	0.9
65.03940	2.8
67.05502	56.6
68.05831	1.0
68.60527	1.0
69.03419	1.2
69.07067	13.4
70.06595	1.1
70.57951	3.6
71.04980	3.3
71.08633	1.1
79.05490	35.8
80.05798	1.0
81.03416	29.0
81.07052	56.0
83.04982	3.0
83.08614	15.1
87.04465	33.3
88.07633	2.5
89.06065	1.2
91.05480	26.7
92.00710	1.0
93.07042	35.1
95.04967	12.4
95.08607	33.9
97.06503	4.9
97.10186	3.2
100.33876	1.0
102.09182	2.4
105.07036	19.7
107.04943	3.2
107.08578	18.0
109.06522	1.4
109.10159	12.5
111.08087	4.5
114.67920	1.0
115.05457	1.8
117.07039	8.7
119.08567	14.1
121.06535	2.7
121.10146	14.0
123.08098	2.1
123.11730	3.7
128.06244	1.3
129.06961	6.5
131.08563	14.4
133.10118	11.7
135.11679	7.3
137.13295	1.8
143.08565	3.7
145.10115	9.4
147.08072	1.8
147.11687	7.6
149.09618	1.7
149.13274	9.8
155.08548	1.7
157.10100	7.7
159.11708	7.4
161.13203	3.7
163.14854	1.7
165.12788	1.5
169.10132	2.2
171.11725	3.6
173.13281	4.2
175.11183	4.5
175.14783	2.7
177.12750	1.6
183.11746	1.9
185.13263	2.9
187.14793	1.4
193.12253	13.0
195.13794	2.6
197.13396	1.5
199.14844	2.0
201.16438	1.0
207.11861	1.2
211.64720	1.1
213.16431	1.3
233.18976	1.2
249.14893	2.6
251.16510	1.1
252.35303	1.0
256.26321	22.9
256.29065	1.2
259.77390	1.1
261.22260	1.4
263.20599	1.1
263.23724	3.0
298.43518	1.0
401.21387	1.2
437.34070	6.8
455.35181	3.0
473.36249	1.7
511.37778	3.5
529.38812	100.0
530.38226	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	529.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27838	2.4
57.32970	2.6
58.91434	2.4
60.52872	2.2
62.07352	2.5
62.93624	2.2
68.04990	2.3
70.06573	9.2
71.02850	4.2
71.03176	3.9
84.08131	2.6
86.06065	7.5
87.44032	2.8
94.10526	2.3
105.13835	2.7
118.06516	18.0
130.06583	2.5
132.08081	4.9
139.36719	2.6
144.08083	9.3
145.47261	2.5
146.06018	54.9
153.60959	3.1
159.09157	5.0
170.06056	4.8
173.09280	3.1
177.13390	2.4
188.07074	100.0
205.09727	34.0
327.36850	2.7
456.37518	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00408	3.3
54.29483	3.6
55.05512	7.3
55.97824	3.3
57.03433	5.3
67.05503	47.4
69.07051	13.7
71.52016	7.1
76.39943	3.6
79.05103	5.2
79.05490	31.5
81.07047	51.2
83.08641	4.6
85.02905	5.8
91.05490	11.8
93.07041	26.3
95.01271	4.1
95.08604	38.7
105.07029	11.9
107.08599	13.3
109.10170	14.9
117.07015	7.1
119.08588	6.9
121.10145	15.9
123.11702	13.0
131.08556	13.3
133.10162	7.2
135.11690	16.7
145.10094	5.9
147.11685	5.6
147.98718	3.6
149.13274	9.7
152.82060	4.1
159.11731	9.1
161.13275	4.9
163.14862	5.9
169.10185	3.3
173.13298	7.0
195.00301	100.0
243.21121	9.2
261.22168	37.0
335.25641	22.7
353.26740	33.6
529.25012	15.1
529.38574	7.7
553.38397	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	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01859	9.9
55.05510	34.4
57.03419	15.2
61.02920	42.5
63.57814	3.5
65.03925	6.4
67.05504	41.7
69.03415	21.3
69.07071	20.5
70.06580	14.2
70.07102	15.8
71.04974	5.4
73.02921	19.7
79.05491	32.0
81.03420	29.3
81.07056	34.6
83.04964	13.5
83.08607	26.5
84.04499	3.8
84.08115	8.8
85.02904	45.3
86.09701	6.2
91.03958	17.7
91.05479	26.6
92.86249	3.3
93.07035	33.3
95.04964	46.3
95.08600	31.3
97.02891	33.0
97.06525	10.8
97.10140	13.3
98.20853	6.0
99.04440	11.7
101.02372	12.2
103.03924	4.8
105.07012	30.2
107.04939	14.6
107.08578	37.0
109.02852	13.6
109.06500	7.3
109.10130	12.7
111.04422	12.5
111.08071	11.2
117.07048	11.9
119.08586	20.8
121.06527	7.3
121.10146	19.1
123.11750	4.7
125.05984	4.4
125.09607	16.3
127.03902	18.0
129.06984	4.0
129.10312	4.2
131.08600	19.4
133.10156	19.6
135.08034	6.0
135.11676	11.7
143.08571	4.1
145.10114	28.3
147.08028	5.4
147.11684	12.7
149.09622	26.3
151.11150	4.4
155.08534	4.4
157.10144	7.0
159.11668	12.4
161.09602	4.1
161.13239	4.5
163.11172	37.2
165.12788	5.1
173.09563	4.1
173.13283	6.2
175.11139	4.7
183.06454	3.9
189.11273	8.0
205.12189	6.8
223.13293	52.1
229.19615	4.8
239.17950	6.7
247.20667	4.2
257.18903	21.1
275.20059	100.0
281.08041	4.5
293.21164	32.0
349.23663	15.2
365.99734	3.6
367.24744	29.8
391.24789	4.7
475.19946	3.9
529.33362	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	528.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.0
57.03427	5.4
57.07072	31.5
67.05515	10.9
67.09413	2.1
69.07067	12.0
71.08633	27.6
71.52690	3.0
73.06545	7.3
79.05485	11.1
81.03408	12.7
81.07046	11.2
83.08616	12.9
85.10187	22.0
87.04468	4.3
89.06026	100.0
91.05496	5.6
93.07051	11.7
95.04965	4.7
95.08604	5.6
97.06547	1.9
97.10173	10.3
105.07029	6.4
106.07377	2.5
107.07085	3.6
107.08572	4.5
109.10121	4.2
117.07011	4.1
117.09136	5.1
119.08581	4.3
120.08923	2.8
121.10148	5.5
125.09698	1.9
129.07021	3.1
130.08644	2.2
131.08533	3.5
133.08600	46.0
135.11681	2.5
141.16377	5.9
145.10071	3.1
149.13223	2.2
152.67012	1.9
158.10522	2.0
177.11229	23.2
185.18964	2.6
193.12216	2.9
194.12532	3.8
198.97464	4.6
220.19151	2.1
221.13805	4.0
229.21573	10.9
273.24161	5.3
283.17548	3.0
311.22241	2.6
311.25803	43.8
368.78387	2.2
371.22742	5.3
401.38565	2.2
436.32684	3.8
442.12064	2.5
510.35651	2.1
511.38226	6.5
528.24384	2.7
528.37573	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	529.1495
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
51.85331	0.9
52.55645	0.9
54.18690	0.9
55.29274	0.9
70.06581	1.4
70.14346	3.6
70.14764	1.6
81.07044	1.5
83.04993	1.1
91.05463	1.3
93.07020	1.8
95.04221	1.0
105.07034	1.1
109.10117	0.8
146.57481	1.0
214.17946	1.0
304.69904	1.2
315.10211	2.3
325.08530	1.4
343.06030	1.2
343.09708	3.5
353.08224	1.9
356.06808	1.2
367.09677	1.4
369.07312	1.5
369.11426	1.4
371.09094	11.1
371.13080	1.3
373.11121	1.1
381.07755	2.3
384.06241	1.6
385.06900	5.1
385.11319	1.4
386.07791	4.0
395.09091	5.9
397.06299	1.7
397.11246	5.6
399.08755	1.3
411.08615	2.2
412.09216	3.1
413.10214	63.0
414.10672	1.4
415.12048	1.5
415.46539	1.1
421.11035	1.0
423.08545	9.7
439.11514	5.5
441.09659	10.2
457.12814	33.2
467.11261	4.8
485.12332	33.9
511.13934	2.8
529.14917	100.0
529.27966	7.5
530.15259	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	529.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33829	0.6
53.03922	2.0
53.89526	0.6
54.31494	0.7
55.01855	1.3
55.05490	0.9
56.05014	1.0
57.03427	5.0
59.38120	0.7
60.04504	1.1
61.02933	6.1
61.95199	0.8
68.33176	0.7
69.03425	18.3
69.07045	0.7
69.40554	6.8
70.06588	14.1
71.01329	1.3
71.04967	3.0
71.06909	1.4
72.07824	0.8
72.08151	10.2
73.02888	3.2
74.06028	0.9
78.16898	0.6
81.03423	5.7
83.06068	0.6
84.04460	1.6
84.08146	5.1
85.02901	20.3
86.09706	10.6
87.04442	2.8
87.05590	1.1
87.10069	0.7
87.48083	0.7
91.03944	1.1
91.05456	2.0
97.02887	7.2
99.04459	5.0
102.05535	0.8
109.02856	2.0
109.28191	0.6
110.07138	2.0
117.05432	1.1
118.06799	1.6
120.06483	0.6
120.08101	9.0
127.03902	3.4
129.10223	2.7
132.08038	1.2
136.06854	0.6
136.07579	6.5
143.11778	0.9
145.04942	1.6
145.07613	4.4
147.09172	17.3
159.09154	9.2
160.09900	1.0
171.11299	0.9
173.07184	1.5
173.10698	0.8
175.08685	1.2
177.05421	1.2
183.11246	0.9
185.10788	3.5
186.12360	1.3
187.08580	0.7
187.12312	1.0
189.10228	1.6
191.08150	94.3
192.08551	1.3
197.10762	1.9
197.12643	0.9
199.12303	1.2
201.12424	0.7
213.10342	1.6
214.11888	1.1
215.11850	1.1
216.07668	14.1
219.13373	1.6
225.10080	1.1
227.08235	1.0
227.11858	1.0
231.11311	0.7
243.11378	0.8
244.13333	0.8
245.12939	1.0
253.85838	0.7
263.13904	12.7
271.10797	1.0
283.14444	2.4
289.11758	5.2
307.12875	79.7
308.13147	1.4
311.13885	1.0
324.15704	0.8
350.13458	100.0
351.13733	1.0
469.18225	2.9
494.17435	1.2
501.51303	0.8
512.18762	94.5
513.19336	1.1
529.26904	0.9
533.52582	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	526.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28516	0.8
53.03933	0.8
56.05024	1.6
63.96865	0.8
67.05499	2.1
69.07063	2.4
69.43178	7.3
70.06590	12.6
72.07810	0.8
72.08147	4.4
74.92624	0.9
79.05495	2.1
80.05008	1.5
81.07063	2.7
82.06588	4.8
82.22269	0.8
84.04541	1.9
84.08128	5.9
86.09699	7.0
89.03891	1.6
91.05483	3.4
93.05801	1.1
93.07034	3.4
94.06570	10.4
95.04949	1.0
95.07338	3.7
95.08595	1.0
96.08123	17.9
102.05534	2.1
103.05467	1.6
106.06538	5.0
108.04486	3.7
108.08112	15.3
109.10130	0.9
110.06126	1.2
110.07114	1.4
110.09679	14.2
116.04963	10.9
117.03436	0.9
118.06559	1.6
118.38245	0.8
120.04484	2.0
120.08094	15.2
121.06496	1.2
122.06004	9.0
124.07587	53.1
129.10234	3.0
132.04416	1.0
132.08072	1.1
134.06027	1.4
135.06816	0.9
136.07568	14.1
137.05956	1.4
138.09134	25.2
140.07077	3.3
144.04439	14.5
144.05521	1.6
146.06001	13.8
148.07581	6.9
150.05617	1.1
152.07063	7.8
160.03931	5.9
162.05479	6.5
164.07079	1.0
166.08632	44.9
168.06575	5.9
171.74989	0.9
172.03923	51.4
173.04500	1.2
174.05507	6.8
178.04967	1.5
182.08209	0.9
187.08514	0.8
190.04979	75.9
191.05576	1.8
196.09723	0.9
204.06541	41.1
206.08188	3.7
207.09178	1.1
209.10744	1.6
212.09384	1.4
215.95578	0.9
221.10698	1.9
222.11510	1.0
223.12366	2.2
224.09349	1.6
225.10173	3.0
235.08719	1.5
236.09451	3.5
237.10161	3.6
238.10997	1.3
239.11789	1.1
240.08780	1.1
243.11299	0.9
249.10263	2.3
250.10938	1.6
251.11797	7.7
252.09000	2.9
253.09651	3.5
264.08942	2.8
265.09744	4.6
266.10501	1.0
267.11224	4.2
268.08615	1.0
269.09366	1.0
278.10428	1.7
279.11240	11.4
281.09296	4.7
281.12592	1.1
283.10574	0.9
285.12231	1.3
287.10208	3.7
293.09232	2.2
295.10632	4.9
297.12320	20.4
299.10287	7.6
307.10828	4.6
307.30316	1.1
311.09991	2.1
313.11795	4.5
323.10303	8.0
325.11813	100.0
326.12341	1.6
329.11270	24.6
335.10202	1.9
341.07526	1.6
341.11304	16.4
343.08710	1.5
343.12869	17.3
353.11252	9.0
357.14484	3.1
361.13696	1.7
373.13901	2.1
385.13968	1.9
405.11487	1.0
448.18509	2.1
450.19861	1.1
452.18185	7.0
466.19501	1.5
476.18164	13.4
480.21127	0.9
494.19208	69.5
495.19159	1.1
508.20740	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	526.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20559	1.8
54.24804	2.0
55.05487	2.8
57.07074	60.4
58.89472	2.0
63.95477	2.0
67.05501	3.6
69.07057	7.6
69.55156	15.2
71.08239	3.9
71.08629	59.4
73.06525	4.3
79.05492	5.6
81.03415	3.0
81.07051	4.7
83.08610	3.4
85.10184	34.3
86.09678	4.5
87.04472	4.8
89.06026	100.0
93.07038	3.6
97.10150	2.9
99.11726	7.2
104.10746	5.7
105.07030	3.7
105.11069	2.4
107.07066	4.0
111.11689	4.5
113.13280	4.9
116.71343	2.0
117.09126	4.5
119.08508	3.3
124.80297	1.9
125.13267	3.5
127.14821	4.0
129.07053	2.5
130.08624	4.6
133.08598	71.3
145.10178	2.2
152.79881	2.4
155.08615	2.3
161.13246	2.6
177.11208	28.3
183.21156	2.3
184.07335	6.3
185.07622	2.5
200.51454	1.9
221.13805	8.9
239.14917	2.9
271.26224	3.0
283.17627	2.8
315.29059	5.3
327.20068	25.2
437.08926	2.0
480.60834	2.4
509.40567	19.8
526.37769	3.8
527.37262	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	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01861	6.5
55.05513	25.4
57.03429	14.2
61.02931	16.0
67.05502	27.3
69.03432	28.7
69.07075	27.9
69.33482	19.5
71.01367	4.6
71.04970	5.0
73.02902	9.8
79.05486	29.8
81.03414	26.3
81.07052	29.0
83.04969	8.4
83.08616	11.5
84.08141	3.0
85.02896	23.9
91.03934	5.4
91.05474	21.4
93.07039	19.2
95.04990	14.1
95.08592	15.6
97.02894	27.9
97.06537	5.3
97.10165	15.5
99.04447	6.2
101.02359	7.3
103.03941	4.6
105.07023	13.5
107.04951	9.2
107.08574	17.6
109.02852	11.3
109.06516	4.2
109.10137	9.0
111.04434	3.9
111.08093	3.3
115.68714	2.1
117.06989	7.2
117.07752	2.4
119.04900	2.6
119.08582	12.5
121.06501	5.3
121.10139	9.6
123.04442	2.3
123.08062	8.2
125.09639	13.9
127.03924	12.3
129.06960	6.4
131.04843	2.3
131.08557	7.6
133.06483	2.6
133.10155	8.1
135.08047	6.1
135.11732	2.4
137.09628	3.3
143.08594	7.5
145.04968	2.9
145.10089	10.6
147.08035	5.8
147.11606	3.7
149.05891	2.6
149.09650	3.0
149.13261	3.7
152.47803	2.7
157.10023	4.1
159.11731	5.3
161.09599	3.1
163.11105	4.2
175.11191	5.3
177.12663	3.1
189.11264	14.7
189.12694	3.5
193.12207	9.6
205.12216	5.2
211.13287	7.1
223.13284	21.8
224.13554	2.6
227.12694	5.3
235.13380	2.9
249.14836	4.0
249.61810	2.8
255.17520	2.8
267.15817	2.3
273.18463	21.3
291.19513	100.0
292.20056	3.5
347.22256	7.8
365.23080	29.0
485.15604	2.4
509.27359	4.6
510.34814	3.3
527.28436	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	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01869	2.8
55.05526	16.1
56.05050	5.2
57.07058	9.8
60.68605	2.6
67.05505	28.8
68.08307	2.7
69.03421	10.9
69.07071	37.3
69.29867	16.8
69.30299	10.5
70.02940	5.3
70.06593	78.8
71.04996	8.0
71.06946	3.3
72.08157	36.7
79.05486	20.0
81.03414	6.8
81.07056	100.0
83.04982	3.5
83.08614	12.6
84.04507	18.7
84.08150	46.2
85.02914	15.8
85.06538	36.7
86.09709	36.5
87.05605	4.3
88.03994	4.4
91.05481	12.1
93.07053	36.2
94.06562	4.3
95.04974	4.3
95.07339	5.7
95.08609	62.9
95.70881	2.6
96.08126	8.5
97.02873	6.8
97.06523	11.3
97.10160	2.9
99.08102	14.6
100.90268	2.9
102.05533	7.2
103.05462	3.8
105.07025	23.5
107.04955	5.4
107.08599	30.3
108.08120	3.9
108.41821	2.7
109.10155	45.7
110.07178	8.1
110.09670	16.0
111.08073	24.4
111.11720	9.9
112.08733	3.3
113.06016	2.8
115.07620	3.7
115.08655	4.6
117.07094	3.5
119.04953	5.2
119.08565	18.4
120.08110	15.6
121.06533	3.4
121.10154	24.9
122.06064	3.5
123.04457	3.3
123.11709	43.3
125.09596	14.9
127.03884	7.9
129.10208	17.5
133.10138	12.5
135.11685	18.2
136.07584	9.9
137.05972	8.7
137.09560	3.1
137.13297	15.5
138.09125	12.9
139.09531	3.2
139.11172	9.4
140.07048	5.0
145.02908	3.8
145.10040	2.8
147.11711	14.7
149.07411	4.3
149.13222	24.0
150.05508	4.6
152.07086	3.6
153.12735	3.2
156.10239	7.7
161.13261	22.9
163.14825	12.7
166.08659	23.9
167.07085	4.1
168.10297	3.4
171.11360	3.4
173.09560	4.9
173.12975	3.3
175.14885	5.5
177.05521	4.2
177.16376	7.7
179.17900	3.3
189.16437	3.5
191.17972	4.5
201.12370	3.3
205.19554	3.8
217.08197	5.6
217.19490	44.9
225.10091	3.0
233.13202	11.1
235.20563	50.6
237.10292	4.6
251.11731	4.0
253.09741	2.8
253.21642	49.3
255.11337	6.9
265.09766	6.2
267.11182	6.6
273.25735	8.3
282.09695	2.9
283.10840	3.9
287.03763	3.8
289.05273	10.7
291.07111	2.7
291.26895	9.5
293.09073	6.0
294.09894	2.7
295.10748	7.0
296.11398	3.1
301.11990	4.2
309.27869	6.1
313.11914	6.9
322.87814	3.3
325.11636	5.2
327.28568	5.1
345.18448	5.6
345.29938	3.1
353.11368	12.1
361.14017	13.2
397.25345	3.7
466.19409	4.3
493.17917	3.7
494.19257	16.8
525.22589	15.7
526.22504	3.3
553.90314	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	526.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
56.05007	1.1
60.04546	1.0
60.44518	0.8
63.42952	0.8
67.05526	1.1
67.98931	0.7
69.07055	1.2
69.28407	7.6
69.28819	1.2
70.02973	1.4
70.06589	14.5
71.06934	1.0
72.08157	6.8
74.06078	1.1
79.05516	1.8
80.05017	1.8
81.03418	1.2
82.06572	2.1
84.04495	3.0
84.08136	8.9
85.02884	1.2
85.12631	0.7
86.09690	6.2
87.05595	1.2
87.09995	0.8
89.03933	1.4
91.05479	2.3
93.07052	2.7
94.06563	7.1
95.07345	3.7
96.08126	11.2
97.92079	1.0
98.06047	1.6
102.55732	0.9
103.05515	1.3
106.06580	2.6
107.07317	1.1
108.04478	19.8
108.08108	11.7
110.07114	1.0
110.09687	12.0
113.91437	0.8
115.08701	1.1
116.04977	7.4
120.08090	14.6
121.06509	1.2
122.06027	11.7
124.07587	47.4
126.09080	0.9
128.57458	0.8
129.10236	3.2
134.05991	2.4
136.07581	13.7
137.06049	1.1
138.09132	19.0
140.07060	2.5
144.04449	11.3
146.06001	20.1
148.07590	5.2
150.05505	3.2
152.07114	7.6
160.03941	5.2
162.05513	3.4
164.07036	1.2
166.08641	20.0
166.09969	1.3
168.06564	22.4
172.03926	37.6
173.04700	1.4
174.05487	11.9
177.05537	1.1
187.25003	0.9
190.04988	61.9
191.05670	2.3
192.06561	2.0
204.06561	38.3
206.08099	13.7
206.09846	1.1
207.09116	1.0
210.11386	1.0
221.10892	1.2
223.08665	0.8
223.12259	1.8
224.09346	1.0
225.10202	0.9
235.08575	1.2
236.09419	2.4
238.10786	1.0
241.09676	1.1
248.05536	1.4
251.11818	4.5
252.09099	1.5
264.09033	1.9
269.09366	1.0
278.10571	1.3
279.11252	10.0
287.10370	2.0
292.24283	0.8
295.10696	2.3
296.11456	1.2
297.12341	17.7
297.15683	1.0
299.10248	1.8
307.10812	9.6
311.10611	1.1
313.11801	4.3
323.10260	7.3
325.11819	100.0
326.12170	1.7
329.11475	6.0
339.13232	2.2
341.11328	14.0
343.12912	17.8
357.14374	1.1
359.12326	3.6
361.13834	0.9
373.13797	8.2
448.18588	1.5
452.18134	3.9
466.19925	1.1
476.18198	8.8
494.19217	63.9
495.19473	1.7
508.20944	5.9
508.79446	1.0
512.20203	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	524.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08485	0.4
55.01863	3.4
55.05512	3.3
57.03431	2.1
57.07063	1.3
62.06087	0.5
62.56221	0.5
65.03934	0.5
67.05508	5.0
69.03434	1.1
69.07069	4.8
70.06590	0.6
71.04981	0.7
71.51447	0.9
79.05500	3.6
81.07054	21.1
83.04983	2.4
83.08618	1.6
85.00562	0.4
85.02890	0.5
91.05466	1.8
92.46333	0.4
93.07047	3.9
95.04960	0.6
95.08609	5.4
96.68206	0.5
97.06527	0.9
105.07039	3.5
107.08589	5.1
109.06519	7.9
109.10162	4.3
109.31200	0.5
110.06880	0.5
111.04438	15.8
111.08061	0.8
116.77820	0.5
119.08591	3.3
121.06509	0.5
121.10149	3.4
123.08090	2.6
123.11697	2.2
124.01588	0.5
125.05991	6.3
131.08553	2.1
133.10118	4.2
135.08067	2.9
135.11688	4.1
137.05975	100.0
137.09531	1.4
137.13264	1.3
138.06297	0.7
139.07561	0.6
143.08548	1.1
145.10127	1.7
147.08020	1.4
147.11679	5.6
149.09628	3.9
149.13248	1.5
149.54767	0.4
151.07536	2.8
151.11200	1.0
155.07066	0.6
157.10139	2.2
159.11678	1.0
161.09616	5.5
161.13277	2.8
163.11143	3.0
163.14865	0.6
165.09172	2.3
167.10670	1.1
171.11661	1.7
175.11198	4.8
175.14812	1.0
177.09282	0.6
177.12704	1.3
179.10652	1.6
189.12758	1.9
193.12227	1.5
198.05336	0.7
203.17940	6.3
205.19542	0.6
212.40691	0.6
213.16379	2.8
216.06358	1.1
221.18959	2.0
223.14778	0.8
231.17432	9.0
241.15875	1.9
249.18497	6.9
259.16776	0.8
276.19641	1.0
277.17984	49.2
295.19040	15.0
320.22226	3.6
351.21655	52.4
383.24261	45.5
384.24698	0.8
431.18506	1.8
474.22635	1.1
492.23581	2.3
524.33386	0.6
531.96942	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	524.3711
Annotation	PAF C-16
Peak:m/z	Relative Intensity
55.05502	0.4
56.05016	0.6
56.58827	0.3
57.07055	0.9
58.06606	0.4
60.08162	6.6
61.19581	0.3
67.05524	0.3
67.58867	0.2
71.07374	2.8
71.08611	0.5
85.10151	0.5
86.09703	30.6
98.98468	2.6
100.36987	0.3
104.10749	3.2
125.00002	20.0
184.07333	100.0
185.07695	0.4
229.67278	0.3
506.35907	0.8
524.36963	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	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05497	0.4
56.05021	1.2
56.74890	0.2
57.03429	0.7
57.07073	2.7
58.06566	1.5
59.07365	0.3
60.08162	16.6
67.05499	0.6
69.07047	0.4
69.97195	0.6
69.97588	0.4
71.07368	6.6
71.08627	1.9
76.49884	0.2
81.07057	0.5
83.08606	0.4
85.10184	1.0
86.09701	50.4
95.08579	1.0
97.10133	0.3
98.98463	3.9
103.25772	0.2
104.10737	100.0
105.11102	0.5
107.08622	0.2
109.10134	0.5
124.99997	28.7
136.80530	0.2
143.01068	0.4
163.01543	0.6
166.02586	0.3
184.07330	95.3
185.07832	0.3
192.76067	0.2
197.59846	0.2
213.65524	0.2
258.11050	1.2
261.72232	0.2
341.30453	1.6
447.28891	0.4
480.55026	0.2
506.36066	9.5
507.36139	0.3
524.37091	29.4
525.37372	0.8
549.32062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.05025	1.7
57.03438	0.7
57.07074	2.9
58.06603	1.5
60.08163	16.0
67.05499	1.0
67.15380	0.4
68.78347	0.4
69.07056	1.1
69.34766	0.6
69.35175	4.1
70.06570	0.5
71.07375	5.8
71.08630	2.3
79.05482	0.7
81.03397	1.1
81.07060	1.1
82.84713	0.4
83.08614	1.2
85.10174	1.1
86.09704	47.2
93.07087	0.6
95.08616	1.4
97.10112	0.5
97.21964	0.5
98.98450	3.8
104.10739	93.9
107.08566	0.5
109.10128	0.6
125.00000	25.6
143.01035	0.6
163.01552	0.6
184.07336	100.0
185.07646	0.5
193.12256	0.5
211.13290	0.6
250.54611	0.4
258.10999	1.4
341.30380	1.5
408.40149	0.4
447.28366	0.6
461.53229	0.4
506.36099	7.8
524.37000	30.3
525.37073	0.8
539.54028	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	524.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01860	1.5
56.05015	0.7
60.04510	0.7
65.03915	1.2
67.05492	2.3
69.07063	1.6
70.06590	6.8
70.11302	0.6
71.51267	0.9
72.08148	3.4
74.06060	0.9
79.05492	4.2
80.04997	2.5
81.03403	1.0
81.05801	1.2
81.07037	2.4
82.06587	3.0
83.08629	0.7
83.84403	0.6
84.04482	1.5
84.08147	3.7
85.02882	0.9
86.09702	5.4
91.05480	6.0
93.05796	1.6
93.07036	11.2
94.06563	11.8
95.04954	2.6
95.07344	11.0
95.08569	3.0
96.04504	0.6
96.08130	27.1
97.06522	2.8
103.05475	3.2
103.06091	0.5
105.07018	1.1
107.04937	0.8
107.08569	0.8
108.08118	21.2
109.08904	1.4
110.07139	1.5
110.09677	47.6
115.05459	0.8
118.06535	1.2
119.08575	1.2
120.08099	30.9
121.06537	4.1
122.06027	1.4
123.06831	1.4
124.07599	1.5
129.06952	0.6
129.10237	2.0
131.04872	0.7
131.08592	0.8
132.08134	0.7
134.05986	0.7
136.07571	14.2
137.05962	2.6
138.05490	0.9
138.09137	53.7
145.02881	0.9
146.05992	1.5
148.07562	9.8
150.09145	1.6
151.03923	2.5
152.07080	2.7
154.08626	1.7
158.09567	0.7
159.07938	0.6
161.05925	0.9
163.03909	0.7
163.07588	1.0
164.07048	2.0
166.08632	100.0
167.07014	2.0
167.08868	0.6
174.05428	0.7
175.07504	0.8
177.05443	1.9
187.07431	1.2
195.09113	1.1
199.08655	1.7
200.31784	0.6
206.08511	0.6
209.10712	1.7
210.07745	1.0
211.08681	2.1
212.09332	0.9
213.10146	1.8
219.10135	1.1
220.07623	0.7
222.07710	1.2
223.08658	4.5
224.09486	2.1
225.10191	5.9
227.08093	4.5
229.15532	0.7
235.08649	1.9
236.09639	0.7
237.10181	18.3
238.07423	0.8
238.10916	1.5
239.08151	8.8
239.11806	3.7
240.09027	1.4
241.09718	6.6
247.08672	2.0
248.09296	1.0
249.10225	1.8
250.07437	0.9
251.08154	5.7
252.08969	1.6
253.09740	15.6
254.10396	1.3
255.07533	0.9
255.11316	4.4
264.08835	1.1
265.09732	32.2
266.07938	0.8
266.10413	3.5
267.07672	4.2
267.11285	8.8
269.09113	3.1
269.11987	0.6
271.10532	0.7
276.12350	5.2
277.09726	1.8
279.07642	1.2
280.08374	0.8
281.09198	19.7
281.12283	1.3
282.09839	0.8
283.10751	16.1
287.10147	4.0
293.09189	22.9
294.09921	1.8
295.10757	22.4
298.09412	0.7
299.10294	7.7
300.11163	0.9
301.11691	1.2
309.08707	4.0
311.06631	0.9
311.10248	16.4
313.11896	1.7
321.08691	10.0
325.11703	1.5
327.09760	19.5
330.12415	1.9
331.13052	2.2
339.09760	32.0
341.11185	5.7
343.12805	1.4
344.13654	1.9
345.10559	0.8
353.11310	3.6
356.14001	0.9
358.15604	1.2
359.12360	36.3
371.12360	25.2
372.13272	1.1
376.16534	0.6
388.16586	3.9
390.18253	0.9
400.17093	3.1
416.15915	0.8
418.17676	5.1
428.16174	0.8
436.18729	2.9
446.17151	15.6
448.18723	3.0
451.17361	0.8
452.17938	1.1
464.18167	37.1
465.18228	1.0
474.16693	6.9
478.19714	1.7
488.18616	1.0
492.17654	37.7
493.18140	1.2
496.20926	0.8
506.19330	6.5
524.20209	8.8
524.28156	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	524.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22490	0.5
53.03926	1.4
54.03477	0.5
55.01851	0.9
55.05500	0.5
56.05010	1.2
56.32096	0.5
65.03947	0.8
67.05483	2.2
69.07043	1.2
70.06593	5.6
71.05005	1.5
72.08135	2.2
74.06072	0.7
79.05500	3.6
80.04991	1.6
81.03409	0.9
81.03843	0.6
81.05791	1.5
81.07040	0.6
82.06592	2.9
84.04495	1.3
84.08142	3.1
85.02906	0.8
86.09711	7.1
89.03963	0.5
91.05475	5.3
93.05773	1.6
93.07038	11.4
94.05961	0.6
94.06562	11.2
95.04956	1.5
95.06758	0.9
95.07346	13.2
95.08617	1.2
96.08127	25.3
97.06496	2.2
102.05521	0.7
103.05454	2.4
104.05312	2.1
105.05780	0.9
106.36975	0.4
108.08110	20.5
109.08898	1.6
110.06005	0.8
110.07164	1.4
110.09676	45.9
118.06527	0.8
119.08604	0.6
120.04464	0.8
120.08102	32.8
120.72322	0.5
121.06480	1.4
121.08419	0.5
122.02998	0.5
122.06023	1.8
123.06782	2.1
124.07590	1.8
129.10213	1.8
135.06883	0.7
136.07570	13.6
137.05997	1.6
138.05515	1.2
138.09132	50.1
145.02835	1.0
146.06006	1.2
147.04430	0.6
148.07571	10.9
149.05930	0.5
150.09140	1.2
152.07043	1.0
154.08604	2.5
164.07039	1.3
166.08635	100.0
170.08395	0.5
177.05426	2.1
192.08128	0.6
195.09079	0.6
197.10785	1.0
199.08647	1.1
204.06572	0.5
209.10721	1.3
211.08679	3.8
212.09312	1.0
213.10272	2.3
219.09177	1.1
222.07892	1.1
223.08655	4.5
224.09366	2.7
225.10242	6.2
227.08142	3.8
227.11748	0.9
229.09706	0.6
235.08597	1.6
236.09410	0.9
237.06589	1.0
237.10226	19.2
238.07384	1.8
238.11035	1.9
239.08189	8.3
239.11778	3.9
240.08955	0.7
241.09656	7.3
243.11406	1.4
246.09071	0.6
247.08685	1.6
248.09431	0.7
249.10161	1.3
250.07066	1.1
251.08121	7.2
251.10356	0.8
252.08897	1.7
253.09718	16.0
254.10400	1.2
255.07550	1.0
255.08827	0.5
255.11308	4.4
263.08139	0.6
264.09024	1.0
265.09711	36.2
266.07120	1.2
266.10446	3.3
267.07675	4.5
267.11304	10.2
268.08383	0.9
269.09192	3.5
277.09726	1.1
279.07547	1.0
280.08356	1.0
281.09201	18.4
282.09802	0.9
283.10782	17.0
285.27667	0.6
286.09485	0.8
287.10269	4.0
293.09192	25.1
294.09906	1.5
295.10760	21.0
297.08746	1.4
298.09509	1.4
299.10229	6.4
300.10904	0.6
301.11899	1.4
302.12805	0.6
303.13824	0.7
309.05347	0.6
309.08655	4.2
311.10229	15.2
311.13635	1.0
312.11230	0.6
313.11856	2.1
315.13593	0.9
321.08673	11.2
325.11874	2.0
327.09756	21.3
327.13141	0.9
330.12308	1.6
331.13086	1.9
339.09760	34.9
341.11282	5.5
343.12973	1.7
344.14114	1.7
345.10788	0.7
346.15427	1.2
353.11429	4.7
356.13763	1.2
357.14365	0.8
358.15570	1.4
359.12347	34.7
360.17328	0.5
371.12357	24.3
372.13394	1.4
374.14688	0.6
384.12885	0.5
385.14420	0.7
388.16629	3.2
400.16708	1.9
416.16275	0.8
418.17770	5.4
428.15979	1.1
436.18692	2.7
446.17160	14.9
448.18542	3.0
451.17419	0.6
452.17981	1.6
464.18188	36.9
465.18655	0.8
474.16559	7.3
478.19736	1.7
488.18057	0.9
492.17664	39.8
493.18124	0.7
496.20901	0.7
506.19089	7.6
524.20276	9.2
524.27740	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	522.3552
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05491	1.5
56.05027	0.9
57.07077	0.6
58.06601	1.7
60.08161	15.4
67.05493	1.0
69.07053	1.9
70.21245	1.3
70.21630	1.0
71.07375	5.8
81.07046	1.2
83.08605	1.1
86.09700	46.0
93.07021	0.6
95.08584	0.9
97.10188	0.4
98.98456	3.9
104.10736	100.0
105.11087	0.4
107.08570	0.5
109.10151	0.6
121.10168	0.6
121.21488	0.4
124.99998	26.7
163.01576	0.8
167.86618	0.5
184.07329	98.7
185.07599	0.6
258.11041	1.2
305.78281	0.4
339.29062	1.2
504.34433	8.2
522.35541	25.1
523.36060	1.3
523.53052	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	523.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	90.2
57.03431	20.1
57.07069	10.7
64.20310	5.4
67.05501	92.0
69.07064	27.8
70.21642	12.5
71.08636	10.5
79.05485	57.3
80.81812	5.4
81.07056	94.1
82.89446	4.8
83.04968	7.5
83.08608	51.5
85.38235	6.4
86.09718	11.2
91.05487	27.3
93.07040	55.4
95.08610	57.6
95.15041	6.0
97.10166	100.0
98.21563	5.2
104.10768	8.5
105.07018	25.7
107.08584	62.8
109.10146	40.1
111.08062	7.3
117.06989	10.2
119.08587	22.1
121.10136	30.0
123.11673	10.7
124.99976	10.2
125.09625	84.0
131.08548	18.7
132.80157	6.0
133.10094	11.0
135.11693	22.1
136.93111	5.8
137.13266	8.8
145.10095	16.1
149.13251	14.0
153.09103	10.1
154.94182	8.3
159.11697	13.4
161.13341	12.3
163.14851	7.7
171.10156	8.3
172.95232	27.9
173.13235	11.7
184.07361	31.4
184.08772	6.4
185.07668	7.8
189.11211	80.2
190.96301	13.2
193.44771	5.4
210.97746	28.9
227.12799	86.0
228.97835	9.8
232.33696	5.5
243.21159	15.1
245.13858	95.0
261.22147	71.1
267.16000	6.4
279.23126	6.9
313.27393	11.6
317.24771	16.6
335.25812	64.9
430.05972	5.5
431.31525	13.2
467.21118	8.6
487.34027	14.5
505.35037	29.7
523.23444	16.0
523.36041	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	524.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57036	0.9
50.84483	1.2
55.01857	1.1
55.31441	1.0
56.05039	1.3
67.05499	2.7
69.03445	1.8
69.07060	1.3
69.86199	5.3
70.06586	13.8
71.06916	1.3
72.08154	5.2
77.03931	1.2
77.54194	1.3
79.05491	3.4
80.05004	1.7
80.34183	1.0
81.03387	1.5
81.07039	2.1
82.06575	2.5
84.04504	2.9
84.08130	5.4
85.02901	1.4
86.09698	11.0
91.05460	8.6
93.07041	13.2
94.06565	11.4
95.04965	2.1
95.07339	11.3
95.08589	2.6
96.08120	23.6
97.06515	3.1
103.05447	2.6
104.10723	3.8
105.07001	1.1
108.08100	20.8
109.08888	1.4
109.10123	1.3
110.07164	2.9
110.09669	45.6
119.04939	2.6
119.20479	1.2
120.04488	1.4
120.08088	35.0
120.08954	2.0
121.06511	4.5
122.06024	2.3
122.09682	2.4
123.06817	1.3
124.07600	1.9
129.06967	1.6
129.10233	3.8
131.08560	1.0
135.11690	1.4
136.07574	13.5
137.05994	7.0
138.05537	2.0
138.09125	53.5
140.98184	1.0
145.02782	1.5
148.07574	10.9
150.09142	1.3
151.07526	6.3
152.07048	2.4
153.01842	1.1
154.08684	2.4
155.95859	1.2
156.10181	1.6
161.06007	1.6
164.07196	1.4
165.99808	1.1
166.08623	100.0
167.07068	1.8
167.08849	1.3
168.10231	2.9
175.03920	2.0
177.05450	2.0
184.07372	5.3
194.08182	4.1
199.08742	1.8
207.06488	3.9
211.08659	2.7
213.10283	2.5
220.09799	1.5
223.08682	3.4
224.09303	1.5
225.10179	4.8
227.08156	2.3
227.11737	1.4
235.08490	1.6
237.10175	16.6
238.07127	1.3
238.10863	1.5
239.08070	6.9
239.11803	2.3
241.09717	5.1
247.08571	1.9
249.10263	1.8
251.08151	4.5
252.09015	1.9
253.09686	15.9
254.10378	1.2
255.11324	3.5
264.08939	1.5
265.09689	32.8
265.12363	2.2
266.07895	1.2
266.10507	2.5
267.08005	5.0
267.11169	7.9
268.08524	1.2
269.09225	2.6
277.09692	1.6
279.07681	1.6
281.09198	18.5
283.10699	14.9
286.09225	1.3
287.10287	4.5
293.09161	25.6
294.09824	2.0
295.10779	21.3
299.10217	6.8
309.08691	4.4
311.10248	16.3
313.11780	2.3
321.08740	10.4
325.11597	2.1
327.09747	21.1
327.13290	2.4
330.12506	1.4
331.12915	1.8
339.09723	36.8
341.11197	4.3
343.12650	2.0
344.13831	2.5
353.11136	4.0
359.12344	37.8
359.16861	2.5
371.12378	25.9
372.12903	1.5
388.16461	4.5
400.16919	2.8
418.17453	4.7
436.18723	3.3
446.17020	15.5
448.18579	2.8
464.18130	36.7
474.16583	8.1
478.19666	1.7
492.17529	43.0
506.19144	5.0
524.20453	10.0
524.28253	2.4
524.36615	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	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.05526	3.7
63.82827	2.9
67.05493	13.2
69.03413	11.0
69.07051	9.2
70.06589	16.0
70.32509	3.2
70.71040	6.3
70.71437	5.6
71.04977	9.1
72.08148	6.4
79.05499	20.2
81.03421	8.4
81.07058	54.3
83.08583	3.3
84.04507	3.4
85.02892	13.6
86.09712	17.1
87.00834	7.7
89.03908	8.5
91.05476	25.7
93.07060	29.6
95.04971	7.3
95.08607	22.5
97.02888	8.5
97.10112	2.9
99.08091	5.3
100.48670	3.0
103.05448	7.0
105.01209	3.0
105.01847	15.4
105.07032	29.5
107.04933	5.6
107.08598	38.6
109.02882	3.6
109.10152	23.0
110.07242	3.8
115.05441	4.7
116.63332	2.8
117.03398	17.8
119.04910	10.2
119.08579	53.3
120.08114	17.3
121.06503	15.1
121.10136	7.1
123.04475	3.8
123.11691	12.4
125.09654	3.2
127.03934	8.0
127.11182	18.1
133.10124	21.7
135.11694	63.5
136.07574	4.5
137.05966	23.3
137.13268	3.2
143.10683	11.2
145.02866	36.6
145.04922	4.3
145.06473	6.3
147.04396	8.8
147.11653	18.2
149.05949	8.7
149.13345	4.7
151.07503	6.3
153.12732	6.6
158.03638	5.0
161.06027	4.1
161.13263	21.1
167.07065	20.2
173.05928	9.7
175.14775	3.3
177.05478	75.9
179.07086	5.3
186.03104	8.2
201.05486	100.0
202.05811	2.9
203.17961	49.3
221.15366	7.9
221.19044	36.8
231.06691	3.6
234.06616	3.7
239.16492	4.1
262.06259	3.6
263.11734	3.5
277.07925	3.4
293.08707	3.9
305.07953	3.4
320.33606	3.3
322.90521	2.9
337.11029	8.0
355.11722	30.7
356.20596	3.2
385.12805	3.8
522.20758	13.9
523.19250	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	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05038	0.4
58.06367	0.2
58.06633	0.5
60.08162	5.1
61.37974	0.1
67.05495	0.2
69.07061	0.4
69.42789	0.1
69.43020	0.4
69.43446	0.9
71.07366	2.1
78.58673	0.1
83.08590	0.1
86.09704	24.5
87.10043	0.2
97.10183	0.1
98.98459	2.2
104.10742	2.6
104.19383	0.2
125.00000	16.4
135.88861	0.1
143.58963	0.1
184.07336	100.0
185.07632	0.6
196.78648	0.1
227.39311	0.2
258.11142	0.2
321.45285	0.1
388.60837	0.1
504.34665	0.9
506.11691	0.2
522.35583	2.0
542.94165	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
54.05878	0.8
55.05279	0.8
55.05508	11.8
57.03440	7.0
57.07063	2.3
58.06613	1.0
60.08166	4.3
63.15843	0.7
65.03920	0.8
67.05501	23.6
69.07062	14.9
69.87532	4.0
71.04961	1.5
71.07349	1.6
79.05497	7.1
81.07050	24.5
82.35011	0.8
83.04966	1.3
83.08614	7.0
85.06577	0.8
86.09702	16.0
87.10028	5.9
88.03974	5.9
90.22066	0.7
91.05478	5.0
93.07026	5.7
95.08601	16.9
96.63547	0.8
97.06517	1.0
97.10159	2.8
98.98463	6.1
102.06455	0.9
104.10689	1.6
105.07014	3.0
106.05044	2.0
107.08575	3.4
109.10149	7.2
110.80440	0.7
119.08577	1.8
121.10149	2.2
123.11668	2.3
124.99989	10.3
126.00311	1.2
127.00403	2.4
133.10126	2.4
135.11659	1.5
137.13254	0.9
147.11658	1.5
155.01033	0.9
161.13181	1.7
173.02089	1.7
175.14832	1.2
184.07327	48.6
185.07697	17.0
186.07762	13.0
228.23306	1.3
263.23615	2.5
337.27338	100.0
338.27692	1.7
350.26917	2.5
426.28525	0.9
430.82321	1.0
522.34454	1.2
525.38879	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	522.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01852	0.6
55.05495	0.5
58.04493	0.5
65.03919	1.4
66.04688	0.6
67.05492	1.0
70.06589	2.7
70.76676	0.5
70.77016	1.3
72.08121	1.3
73.32782	0.5
77.03920	0.8
78.04689	1.9
79.05489	3.6
81.03411	35.2
81.07036	0.9
84.04470	1.8
84.08136	1.1
85.02880	0.6
86.09704	3.7
89.03862	0.7
91.05463	8.5
93.03362	0.6
93.07032	6.2
94.04179	1.0
94.06513	0.5
95.04960	3.3
103.05457	11.7
103.85302	0.5
105.04444	0.6
105.07036	1.2
106.04145	0.6
107.04948	7.9
109.06495	1.5
110.07157	0.6
115.05445	9.9
116.06208	0.7
117.03349	1.1
117.07010	7.6
118.04170	0.6
119.04953	2.4
119.08565	0.7
120.05741	0.5
120.08061	2.5
121.06493	46.5
122.03632	2.0
122.06827	0.6
123.04421	5.8
124.05233	2.6
125.05961	1.0
128.06227	1.0
129.06953	1.0
129.10176	0.7
130.04126	0.6
130.05016	1.1
131.04910	9.3
132.05688	1.7
132.08063	0.6
133.06468	0.6
134.03592	0.6
136.07550	2.2
137.05966	24.7
138.09113	1.6
140.04631	1.5
141.79543	0.7
143.04913	5.7
144.05676	2.9
145.02827	3.1
145.06473	14.4
146.03632	4.0
146.05933	0.9
147.04404	1.6
147.07941	2.0
149.05902	0.9
151.03894	3.1
151.07509	1.2
152.04631	1.7
152.07045	0.6
153.05394	1.3
155.05978	2.4
155.07047	1.9
156.05614	0.6
159.04420	0.9
159.09125	0.6
160.05202	10.2
161.05966	12.8
163.07549	7.0
164.07059	4.5
165.05489	0.9
167.07022	100.0
168.07394	1.2
172.05174	4.7
173.05974	11.5
174.06717	0.6
175.07527	46.8
176.04692	1.4
176.07889	0.6
177.05440	5.6
177.09125	1.6
178.07703	0.7
179.06982	0.6
181.04941	1.9
183.04425	0.6
187.07523	28.9
189.05507	0.7
189.07068	0.7
190.06204	3.9
191.07011	3.2
191.08519	0.8
192.07771	1.7
193.08633	0.6
195.08125	0.6
197.08002	0.9
201.05440	7.0
201.08937	0.7
203.07016	0.8
205.06577	1.1
205.08557	10.1
206.07207	1.3
207.08018	1.4
207.10127	1.0
217.06693	0.8
217.08519	3.3
218.08011	0.6
219.07921	0.8
221.09628	1.4
222.06929	0.6
223.07602	0.6
231.06474	1.6
233.08098	2.1
234.06726	2.2
235.07535	1.6
235.09633	22.6
238.10240	0.6
247.07465	0.9
248.08611	1.1
249.08990	3.3
251.07054	1.5
252.07936	0.6
262.06030	0.7
263.07050	1.2
263.10703	0.6
264.08136	0.7
265.08707	1.4
266.09482	2.2
267.10043	0.9
277.08469	4.4
278.09497	0.8
279.10303	0.6
280.11319	0.6
281.11734	2.6
283.09717	0.7
289.10709	4.5
291.10388	0.8
293.08142	0.6
295.09708	1.2
297.11462	0.8
300.09888	0.6
307.09518	0.8
309.11200	6.4
310.11624	0.7
311.09207	0.6
313.10684	1.3
314.11356	1.4
325.10626	0.7
326.11563	2.4
327.12411	0.9
328.12155	0.7
329.13614	1.6
337.10785	0.9
338.13873	3.1
339.12369	3.1
340.13681	1.7
341.13812	16.7
350.13876	0.7
355.11862	1.3
356.13104	0.6
357.13364	1.0
367.12259	1.1
368.15079	3.9
369.13382	2.1
370.16519	4.7
384.14453	0.6
385.12839	1.2
398.15955	2.8
400.25998	0.5
405.29138	0.6
464.33917	0.6
490.19070	0.9
492.20139	1.7
494.21878	0.7
504.20340	2.6
522.21283	18.5
544.13275	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	522.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.7
56.05027	1.4
61.39983	0.6
69.03404	1.4
69.07052	0.7
69.31139	2.1
69.31561	3.5
70.06589	10.9
71.06932	0.6
72.08160	5.3
74.06055	1.3
83.06100	0.9
84.04501	3.4
84.08143	4.2
85.02901	1.0
86.09707	10.4
88.04031	0.8
89.03924	4.2
89.04402	0.9
89.14159	0.6
91.05493	3.1
93.07047	1.4
95.05046	0.6
96.04465	0.6
101.07145	1.4
103.05458	0.9
104.05329	0.6
105.06972	0.6
107.04937	0.8
110.07177	1.0
115.05444	1.7
117.03381	16.9
117.06933	0.7
119.04907	2.8
120.08104	8.9
121.06503	0.7
129.10236	2.2
130.06487	0.8
131.04924	0.7
134.03629	1.0
135.04398	2.2
136.07570	2.5
137.05962	4.4
143.04944	1.4
145.02843	53.4
147.04398	6.1
148.04700	0.6
149.05986	7.2
149.70708	0.6
151.03860	1.3
152.06984	0.8
153.05469	1.6
155.08153	0.7
160.05214	2.2
163.03909	1.8
165.10176	0.9
166.08595	1.2
167.07108	0.6
173.12900	1.6
175.07573	6.0
177.05466	100.0
178.05840	2.1
186.05539	1.6
199.04503	0.6
201.12460	0.9
206.08269	0.7
207.06430	0.8
218.08121	10.9
237.02838	1.3
242.15062	1.1
273.16302	0.6
276.13696	0.9
325.07574	0.7
342.13364	27.2
360.14191	0.7
379.43576	0.6
452.58383	0.6
491.66489	0.7
522.19263	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	522.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01872	2.2
61.02926	2.0
67.05500	3.2
69.03428	1.6
70.06582	4.9
71.51555	2.4
72.08175	2.5
77.03929	2.5
79.05488	5.2
81.03411	3.8
81.07043	4.3
84.08147	3.8
86.09695	5.7
91.05476	20.9
93.05873	1.5
93.07040	19.6
95.04965	8.8
95.08603	2.6
97.02901	1.8
103.05457	18.6
105.04501	2.8
105.07021	3.7
107.04964	8.5
107.08588	1.7
108.08121	2.7
115.05461	4.7
117.03379	4.0
117.06992	2.6
119.04937	2.9
120.05762	3.1
120.08130	3.2
121.06503	70.4
122.09712	1.8
123.04424	6.2
124.05202	3.2
124.99987	1.9
129.06995	2.1
129.10167	1.6
130.04080	1.9
131.04936	6.4
133.06564	2.4
133.10115	2.1
135.04486	2.6
136.07603	2.1
137.06009	8.6
138.03110	1.8
138.06174	1.8
138.09148	2.4
138.31177	1.5
138.54416	1.4
140.04640	2.7
143.04930	5.4
144.04379	1.8
145.02869	7.7
145.06511	4.7
147.04437	3.0
149.06041	2.4
150.09105	12.6
153.05452	4.5
158.03625	5.2
160.05254	1.4
161.05946	3.8
165.05557	2.0
167.07028	57.4
172.03912	5.5
172.05293	2.0
173.05997	9.8
175.03876	2.6
175.07535	6.9
177.05487	20.1
178.07684	1.5
179.08429	1.6
181.04918	2.1
181.06488	2.1
183.49863	1.6
184.07481	2.5
186.03090	4.1
187.07501	2.8
188.04520	1.5
189.07021	3.2
190.07750	2.6
191.07031	5.7
192.07835	4.2
201.05457	69.0
203.06958	1.7
204.06544	5.7
205.06491	4.4
207.08044	4.5
208.44521	1.5
213.05426	16.5
213.97513	1.6
215.07008	2.4
218.07332	4.8
219.08095	5.9
220.05153	3.5
221.05978	8.5
231.06416	15.9
233.05949	3.1
234.06714	4.2
235.07559	11.0
236.08266	3.7
237.05576	2.5
246.06778	2.1
247.07368	8.3
248.04753	2.8
249.05368	8.1
249.09113	3.3
251.07019	2.6
252.07771	3.1
260.04657	3.8
262.06131	3.0
263.07037	13.6
263.11505	2.1
264.07776	7.8
265.08810	2.8
267.10110	6.2
274.06345	4.7
275.07019	8.3
277.04980	3.9
277.08575	5.1
279.06613	3.1
279.10114	3.7
280.07361	4.9
281.08148	2.6
288.04211	2.4
289.04837	2.4
290.05789	2.0
291.06516	4.7
292.07181	8.7
293.08188	2.7
294.08795	2.0
295.09604	9.9
302.05792	2.4
303.06470	14.7
304.07202	2.9
305.04611	3.9
305.08212	3.7
307.09613	7.8
309.07516	2.9
317.08087	1.9
320.06799	15.4
322.08340	3.9
323.09241	8.2
325.10880	3.1
327.12424	3.5
335.09091	36.4
337.07187	2.4
337.10840	13.2
338.13956	2.5
353.11154	2.3
355.11734	100.0
367.11746	52.9
367.15311	1.2
385.12744	5.2
490.19785	2.8
492.20166	45.0
522.21185	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	520.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05509	7.5
57.03434	7.5
57.07085	1.2
65.03957	1.0
67.05505	29.9
67.54282	0.9
69.07066	7.0
69.82844	1.8
69.83255	3.8
73.75952	0.9
79.02697	1.2
79.05496	13.7
81.07052	23.6
83.08617	2.2
85.06525	0.9
86.09716	1.2
88.03999	6.1
91.05447	7.0
93.06483	1.2
93.07041	14.2
95.04972	2.0
95.08601	20.8
97.10134	1.3
98.98464	5.8
105.07026	5.4
106.05038	2.1
107.08593	9.2
109.10158	8.9
117.07027	2.6
119.08567	3.7
121.10114	5.4
123.11706	2.0
131.08569	2.9
133.10141	1.9
135.11716	3.4
145.10109	1.9
149.13274	1.9
173.13277	1.1
180.24220	0.9
184.07355	1.9
225.44876	0.9
243.20950	0.9
260.05328	1.0
261.22131	1.9
300.06372	1.2
326.38339	1.0
335.25800	100.0
336.26114	1.9
338.37823	1.0
348.25269	1.8
460.18301	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	520.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01863	0.8
55.05512	8.3
57.03436	9.1
60.04517	1.2
61.16902	0.5
65.03925	1.2
67.05502	35.1
69.07063	7.7
70.02945	0.7
71.04981	0.5
71.60606	0.4
71.61009	0.6
79.05492	16.4
81.07055	27.3
83.04961	1.1
83.08639	2.4
86.09682	1.4
88.03994	7.4
91.05470	7.4
93.07043	19.6
95.04967	1.4
95.08602	22.6
97.06512	0.8
97.10155	1.0
98.98455	5.9
105.07037	5.1
106.05011	1.6
107.08582	9.1
109.06531	1.2
109.10165	7.0
117.07006	1.4
117.48753	0.5
119.08567	3.5
121.10139	6.4
123.11697	2.1
124.93742	0.5
125.00032	0.6
131.08553	2.2
133.10141	2.6
135.11679	3.3
137.79712	0.4
145.10132	1.6
147.11676	1.5
149.13260	1.7
151.14766	0.7
159.11694	0.7
161.13271	0.9
167.05612	0.8
168.08031	0.5
173.02112	1.7
173.13242	1.0
184.07338	2.0
186.02969	0.5
243.21274	0.5
261.22131	1.8
300.06314	0.9
306.92297	0.5
335.25784	100.0
336.26117	2.6
348.25461	2.5
436.75854	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	520.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01863	0.8
55.05512	8.3
57.03436	9.1
60.04517	1.2
61.16902	0.5
65.03925	1.2
67.05502	35.1
69.07063	7.7
70.02945	0.7
71.04981	0.5
71.60606	0.4
71.61009	0.6
79.05492	16.4
81.07055	27.3
83.04961	1.1
83.08639	2.4
86.09682	1.4
88.03994	7.4
91.05470	7.4
93.07043	19.6
95.04967	1.4
95.08602	22.6
97.06512	0.8
97.10155	1.0
98.98455	5.9
105.07037	5.1
106.05011	1.6
107.08582	9.1
109.06531	1.2
109.10165	7.0
117.07006	1.4
117.48753	0.5
119.08567	3.5
121.10139	6.4
123.11697	2.1
124.93742	0.5
125.00032	0.6
131.08553	2.2
133.10141	2.6
135.11679	3.3
137.79712	0.4
145.10132	1.6
147.11676	1.5
149.13260	1.7
151.14766	0.7
159.11694	0.7
161.13271	0.9
167.05612	0.8
168.08031	0.5
173.02112	1.7
173.13242	1.0
184.07338	2.0
186.02969	0.5
243.21274	0.5
261.22131	1.8
300.06314	0.9
306.92297	0.5
335.25784	100.0
336.26117	2.6
348.25461	2.5
436.75854	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	520.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.3
56.05029	0.9
57.03457	0.2
57.39065	0.2
58.06599	0.4
60.08162	6.7
63.71648	0.2
67.05499	0.8
69.07085	0.4
71.07371	3.1
72.51122	0.2
73.23209	0.2
77.79350	0.2
79.27033	0.2
81.07040	0.4
86.09704	38.2
95.08562	0.3
98.20625	0.4
98.98460	3.6
104.10727	2.5
122.03751	0.2
124.99998	24.3
150.88652	0.2
184.07335	100.0
185.07613	0.4
258.10934	0.4
267.42386	0.2
341.77417	0.3
390.37231	0.3
477.98166	0.2
502.32681	1.2
520.33728	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	521.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01867	7.4
55.05507	22.9
57.03423	8.5
57.07059	8.2
61.02922	4.5
67.05501	67.7
69.03426	40.0
69.07068	24.6
69.55155	2.8
70.06583	13.4
71.04996	16.1
71.08643	4.5
73.02933	3.0
79.05492	30.7
81.03414	29.7
81.07050	100.0
83.04976	6.6
83.08611	18.2
84.08120	5.8
85.02383	4.3
85.02898	69.5
85.06531	7.5
86.09686	6.4
87.00823	34.0
87.04458	2.9
91.05470	10.2
93.07042	40.6
95.04916	5.4
95.08604	72.6
97.02885	25.8
97.06554	5.1
97.10161	9.5
99.04433	10.9
103.05470	2.9
105.01849	38.6
105.07014	11.4
107.08583	28.2
109.02871	28.6
109.10154	28.3
111.04375	4.8
111.08090	4.4
115.07551	4.7
117.07001	4.2
119.08556	10.2
120.08086	5.5
121.06480	5.2
121.10140	41.6
123.08089	3.0
123.11707	29.5
127.03902	54.2
129.01807	3.7
133.10101	7.5
135.11678	42.1
136.07581	7.2
137.05983	5.7
137.13203	17.9
138.58771	2.9
145.04933	13.4
145.10121	5.2
147.11699	5.1
149.13225	19.5
150.12828	2.8
151.14766	4.2
159.02927	7.0
159.11650	5.5
163.14803	7.3
166.08565	4.6
171.11720	3.3
177.05438	4.6
189.03856	4.2
189.12729	3.4
201.05692	3.2
204.06482	5.7
213.03932	4.5
217.19429	5.1
219.21123	29.1
227.67970	2.9
231.04912	15.8
237.22133	15.7
249.10143	4.2
251.11507	3.4
255.23143	29.8
263.11826	12.1
264.12457	3.9
279.11380	7.1
291.11224	6.3
303.21381	3.6
309.12146	6.6
311.11526	3.3
325.11780	7.3
337.11819	27.6
369.14450	4.9
399.28723	6.0
490.19812	11.3
503.30402	3.3
521.21417	12.7
522.22003	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	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.4
56.05019	1.2
57.03444	0.6
58.06594	1.5
60.08159	17.6
63.77750	0.4
67.05504	4.1
69.07057	1.4
70.27818	1.1
70.28212	1.0
71.07374	6.2
79.05458	0.8
81.07055	2.8
86.09700	54.5
93.07044	1.1
95.08589	2.2
98.98457	4.5
104.10735	100.0
105.11039	0.6
109.10178	0.6
124.99994	27.9
163.01468	0.6
170.17226	0.5
184.07330	94.9
185.07590	0.5
205.64781	0.5
258.11017	1.3
268.59729	0.5
304.48120	0.5
337.27185	0.8
443.25278	0.5
502.32803	8.0
520.33984	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	521.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32457	1.9
70.06567	2.8
70.97639	3.3
70.97963	2.3
84.04460	3.1
84.08133	2.6
86.09685	2.0
91.05817	3.2
113.42144	1.9
115.05465	2.9
118.06526	16.2
123.36022	2.2
132.08070	5.6
143.07304	3.3
144.08064	13.3
146.06001	65.3
147.06267	2.8
154.34430	2.1
159.09163	6.0
163.03938	3.5
166.21996	1.7
167.05525	4.0
180.79333	2.0
188.07063	100.0
189.07280	3.2
205.09702	48.5
228.81862	2.0
235.72554	2.3
299.05988	2.8
301.05878	2.5
311.08722	1.9
464.57629	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	520.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01841	1.2
55.05503	2.3
56.05022	1.0
57.91145	0.8
60.04509	1.5
62.69497	0.9
65.03916	1.3
67.05470	1.2
69.03407	3.1
69.07059	1.8
70.06583	19.9
71.04988	2.2
71.06911	1.2
72.08149	10.4
79.05490	7.0
81.02927	2.2
81.03409	44.5
81.07034	2.1
83.04974	1.0
84.04488	3.8
84.08143	9.2
85.02882	2.3
86.09700	18.8
87.05598	1.1
87.10017	1.4
89.03923	2.6
91.05454	18.3
93.07017	2.8
94.04177	3.0
95.04947	4.3
97.02885	1.2
98.21516	2.4
102.05554	0.9
103.05454	5.5
104.05322	0.8
105.07000	6.7
107.04947	100.0
107.08578	1.1
108.05244	1.3
109.06494	2.3
110.06024	1.6
110.07182	4.5
111.04443	1.7
115.05438	14.8
115.08676	1.1
116.06246	1.1
117.03366	3.5
117.07011	13.3
119.04108	1.6
119.04928	17.3
120.04453	1.3
120.05687	1.5
120.08086	8.2
121.02821	2.0
121.06477	5.4
121.10102	1.5
122.03641	5.2
123.04437	5.4
124.05194	4.9
125.05984	2.2
127.03860	1.9
129.06952	1.9
129.10234	6.7
130.04144	1.7
131.04936	9.0
132.04411	1.4
132.05539	1.2
133.02849	1.9
133.06482	6.6
134.03633	1.0
134.06006	5.4
135.04404	3.2
136.07564	16.9
137.05960	61.0
138.06314	1.5
143.04930	7.9
144.04433	3.8
144.05664	3.3
145.02800	8.9
145.05249	1.5
145.06471	20.0
146.03641	1.2
146.05988	2.9
147.04437	6.9
147.08029	1.8
148.07468	1.2
149.05965	4.1
150.06706	1.9
151.03906	5.6
151.07462	1.4
152.04662	2.4
152.07143	1.7
153.05455	1.4
153.07002	1.4
155.06006	2.9
156.05692	2.8
157.06445	2.7
158.03592	3.6
159.04416	1.8
159.07950	1.4
159.09149	1.1
160.03926	1.7
160.05173	10.2
160.07477	1.2
161.05988	12.0
162.05489	10.6
162.06726	2.1
163.03889	2.2
163.07521	2.5
164.07033	1.9
165.05455	1.2
165.06931	2.7
166.08598	6.4
167.07022	90.7
168.07333	1.6
169.06581	1.2
170.07179	1.2
171.04385	3.2
171.08014	1.3
172.05190	2.3
172.07544	1.5
173.04645	2.0
173.05968	22.5
175.03918	6.9
175.07532	27.5
177.05484	14.8
177.06918	1.5
178.04944	1.3
179.07030	2.6
180.07809	1.8
181.04974	1.9
181.06465	3.5
184.07581	1.7
185.05898	1.2
186.03076	4.9
187.06079	1.4
187.07530	10.5
188.07014	4.0
189.05482	2.2
189.07011	1.2
190.04765	1.3
190.06223	5.2
191.05551	1.5
191.07028	3.2
191.08575	1.3
192.06538	1.4
193.07222	2.4
194.08118	1.5
195.07983	2.2
197.05968	1.4
200.07004	1.8
201.05440	63.4
202.06158	1.1
202.08627	1.3
203.07019	5.4
203.08652	1.2
204.06517	3.4
205.06763	1.8
205.08565	12.9
206.08185	10.4
207.08092	1.8
207.10078	1.6
210.06898	1.3
210.08919	1.0
213.05510	2.4
213.09087	3.4
214.08702	1.5
216.06496	1.7
217.06602	1.6
217.08527	9.6
218.08145	16.0
219.06369	1.4
219.08250	1.6
220.07431	1.9
220.09641	9.2
221.05824	1.1
221.09723	2.0
222.07298	1.3
223.07465	2.1
229.15442	2.5
230.08168	2.1
231.06297	5.5
232.09557	1.7
233.05997	2.3
233.08041	13.8
234.06647	5.4
235.07448	3.7
235.09637	15.3
237.08978	2.7
239.07243	1.0
239.09407	4.0
241.08586	3.8
242.08054	3.3
244.06126	1.2
245.05974	1.3
246.07182	1.7
247.07520	2.7
248.08527	2.0
249.09096	5.7
250.06119	1.9
251.07053	3.6
258.07809	1.3
259.07959	1.3
260.09055	2.8
262.06171	4.3
262.10849	2.3
263.06955	1.2
265.08444	3.1
266.09320	1.8
270.07523	1.3
272.09058	3.1
273.11240	7.0
274.10739	1.5
276.10266	1.3
277.08481	7.1
279.06454	2.6
279.10245	1.2
281.11627	3.1
285.10696	1.0
287.06866	1.1
289.10767	1.2
290.05899	2.4
290.10202	27.6
291.10529	1.1
292.07004	1.5
293.07825	3.1
294.08694	2.7
295.09637	2.8
300.06546	1.2
300.12268	25.7
305.08072	6.2
307.09549	4.1
309.07840	1.3
309.11185	4.0
321.10953	1.7
323.09061	1.7
323.12848	1.2
325.10693	2.7
328.11639	2.5
332.09100	1.4
336.12280	8.3
337.10626	6.2
338.10284	1.6
339.12256	1.5
341.13919	3.2
352.11655	5.4
353.12668	1.6
355.11719	33.5
356.12003	1.6
357.13257	1.6
364.11722	11.8
366.13300	7.2
367.12088	1.6
368.14859	5.5
378.13358	8.0
396.14365	40.0
397.14746	1.5
426.15161	1.5
490.18600	3.8
502.18723	11.8
520.18610	14.4
520.24353	28.6
520.32422	1.3
521.18903	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	519.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63133	0.9
55.05494	1.6
57.03428	0.8
57.07073	1.9
67.05502	1.7
71.51465	1.5
73.04781	1.2
81.07056	2.2
86.09691	1.8
91.05786	2.8
93.04356	0.9
93.07043	1.9
94.06784	0.9
95.08593	1.5
105.06985	0.9
107.08578	1.1
109.06538	1.8
109.10136	1.5
119.08591	1.9
123.08051	3.3
124.08843	1.1
151.07495	3.3
152.08330	5.2
165.09123	8.1
167.05562	2.9
179.10710	2.3
194.12991	5.9
207.13840	2.9
249.18463	1.3
256.69717	0.9
263.20084	2.6
267.00067	0.9
299.06119	3.0
319.26266	2.9
335.25726	3.0
347.25806	48.2
348.26251	1.1
365.26846	48.0
366.27023	1.4
421.29474	100.0
422.29489	3.1
439.30533	31.3
439.49142	1.0
470.53931	0.9
501.25958	4.2
519.27087	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	520.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.1
53.03937	0.4
54.10788	0.1
55.01862	0.3
55.05507	0.2
56.05024	0.6
57.03441	0.4
61.01130	0.3
61.02915	0.7
63.02366	0.4
65.03925	0.2
69.03432	1.9
69.07060	0.2
69.81664	1.0
70.06592	8.2
71.04984	0.2
72.08149	1.0
74.06062	0.4
74.09673	0.2
77.03967	0.2
79.05505	0.8
81.03408	0.9
82.95308	0.2
84.04511	1.9
84.08139	1.2
85.02903	4.5
86.09703	2.0
87.04480	0.2
88.04021	0.1
89.03359	0.3
89.03914	5.6
91.03957	0.2
91.05454	1.2
95.04952	0.3
97.02409	0.1
97.02911	1.5
98.21532	0.2
99.04486	0.3
101.07120	0.2
102.05556	0.8
104.05328	0.8
105.01868	0.5
106.06528	0.2
107.04961	2.3
109.02857	0.6
110.07117	0.4
112.08673	0.2
116.07100	0.4
117.03380	7.8
119.04932	1.1
120.08091	0.6
127.03927	1.1
129.06616	0.5
129.10269	0.8
131.07007	0.1
132.04453	1.2
132.10193	0.5
134.05984	0.2
135.04413	15.0
136.07576	5.8
137.05963	0.7
145.02849	12.4
145.04842	0.5
146.03264	0.2
146.05968	0.2
147.04416	2.4
148.04793	0.4
149.05963	0.4
150.05504	4.3
151.05884	0.2
152.07021	0.3
153.05580	0.2
158.05960	0.2
160.07574	1.0
161.07936	0.7
163.03899	100.0
164.04245	1.2
164.07101	0.2
167.07004	0.3
173.05843	0.2
177.05472	4.1
178.05043	0.5
178.08672	0.2
181.04955	0.7
181.09738	1.0
182.05284	0.3
183.14973	0.2
186.05534	0.3
187.10864	0.2
188.07100	0.2
193.08569	0.3
196.06049	6.2
206.08281	0.2
228.33337	0.2
229.15482	5.4
234.07587	0.4
240.09840	0.3
258.07578	0.2
258.10855	0.4
263.14258	0.3
275.10199	0.4
280.09729	0.2
292.12823	0.9
295.14090	0.2
298.06973	0.2
358.08960	3.3
358.12650	0.6
358.20029	0.3
499.74619	0.2
520.18335	0.3
520.25610	0.3
535.93573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.6
56.05037	1.4
57.03426	0.2
57.69439	0.2
58.06301	0.3
58.06566	1.6
59.07392	0.5
60.08159	16.8
65.03941	0.3
67.05499	2.2
69.07066	0.7
71.03273	0.4
71.06988	0.4
71.07368	6.8
71.78532	0.2
79.05488	1.9
81.07053	1.9
83.08614	0.3
86.09699	51.2
87.10041	0.3
91.05472	0.8
91.20803	0.2
93.07032	1.9
95.04990	0.2
95.08599	1.6
98.98456	3.9
100.38876	0.2
104.10734	96.0
105.07024	0.6
105.10473	0.2
105.11088	0.8
107.04943	0.2
107.08581	0.8
109.10152	0.6
119.08572	0.3
121.10098	0.4
124.99992	27.3
131.08586	0.2
133.10133	0.2
135.11703	0.2
143.01056	0.4
145.10007	0.2
163.01549	0.8
184.07324	100.0
185.07726	0.8
258.10922	1.1
335.25888	0.7
441.23520	0.2
444.53708	0.2
466.78104	0.2
477.72214	0.2
485.80301	0.2
500.31317	7.4
501.31598	0.3
518.32410	22.5
519.32983	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	519.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
56.05038	0.4
56.99928	0.2
57.03427	0.3
59.51558	0.3
65.03941	0.7
67.05502	0.3
69.03432	1.7
69.31662	2.3
70.06593	2.5
71.33475	0.2
72.08152	1.3
73.02901	0.3
75.15787	0.2
76.02233	1.3
79.05492	0.6
81.03418	1.4
84.04498	1.3
84.08138	1.2
85.02925	1.7
86.09695	2.1
89.03912	1.1
91.05488	1.1
93.07043	1.3
94.06564	1.0
95.04995	0.3
95.07362	0.8
96.08126	1.9
97.02892	1.2
98.20768	0.5
99.04452	0.6
103.05449	0.5
107.04942	0.7
108.08109	2.1
109.02883	0.4
110.07160	1.0
110.09679	4.0
116.04972	3.9
118.06531	0.3
118.15200	0.3
119.04910	0.4
120.08093	3.9
122.06007	2.9
127.03886	0.8
129.10233	0.9
130.04996	0.5
132.08093	0.4
134.05984	0.7
135.04358	0.4
136.07571	5.2
137.05940	1.5
138.09129	4.0
144.04439	10.5
145.02879	0.3
145.05023	0.3
146.06013	2.6
147.04416	0.6
148.03931	2.5
148.07552	1.4
150.09122	0.3
151.81161	0.2
152.07059	0.6
154.08586	0.4
162.02257	0.5
162.05504	4.5
163.03847	0.3
166.04947	0.7
166.08624	10.6
167.05647	0.3
167.07037	0.9
171.48651	0.3
172.03925	47.3
173.04222	0.6
174.05481	1.5
174.14191	0.3
176.07033	0.3
177.05437	0.5
178.08807	0.3
179.04796	1.1
180.05177	0.4
189.04205	0.3
190.04973	12.4
192.06546	0.6
204.06548	100.0
205.06870	1.1
206.08020	0.3
217.08534	0.5
222.07657	0.6
251.11890	0.5
255.11282	0.4
279.11154	0.6
283.10944	0.6
297.12219	0.8
299.06094	0.6
301.11703	0.5
308.09015	0.5
309.09149	0.7
311.13937	0.3
315.13266	0.4
316.08093	1.0
325.11868	2.7
329.14981	1.9
334.09195	2.7
339.13376	2.5
343.12927	1.7
344.97723	0.4
357.14420	11.8
366.11887	0.6
441.16400	0.3
459.17676	0.5
469.15958	0.7
487.17151	2.9
501.18616	1.3
519.19501	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	519.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60500	0.4
56.05029	0.4
59.95190	0.4
60.04505	0.5
62.53661	0.4
65.03925	0.6
67.05495	0.4
69.03404	1.5
69.17772	0.4
70.00977	0.4
70.06585	5.1
70.56829	0.7
70.57165	0.6
71.04984	0.6
72.08154	2.2
74.06061	0.5
79.05479	0.4
81.03404	1.5
82.06585	0.5
84.04488	1.4
84.08144	3.1
85.02892	1.8
86.06033	0.5
86.09711	3.2
89.03902	1.7
91.05396	0.8
91.05894	0.5
93.03403	0.3
93.07005	0.7
94.05328	0.3
94.06561	1.7
95.07348	1.4
96.08109	2.4
97.02864	1.1
98.05365	0.4
102.05489	0.5
107.04959	0.6
108.08128	1.9
109.02875	0.6
110.07143	1.3
110.09680	3.5
116.04964	5.1
117.03336	1.1
117.07034	0.4
119.04920	0.6
120.08080	4.0
122.06027	3.2
124.07557	0.5
127.03921	0.6
129.10223	1.3
130.04938	0.4
135.04419	0.7
136.07578	7.0
137.05974	1.4
138.09119	4.6
144.04437	10.8
145.02875	2.5
145.05019	0.4
146.06020	2.3
147.04399	1.6
148.03899	2.1
148.07535	1.2
149.05956	0.5
152.07098	1.0
162.05479	5.0
163.03903	2.2
166.04945	0.6
166.08630	9.5
167.05545	0.7
172.03925	49.8
174.05496	1.5
177.04034	0.7
177.05460	5.7
178.05843	0.4
178.08554	0.4
190.04982	10.0
204.06551	100.0
205.06934	0.9
222.07741	0.8
234.07452	0.5
239.09621	0.5
251.11842	0.7
279.11313	0.4
282.32016	0.4
283.11026	0.4
299.06033	1.2
316.07849	0.6
319.36438	0.4
325.11884	1.5
328.89862	0.4
329.14969	1.1
334.09229	2.2
339.13455	1.7
343.12888	1.5
344.97705	0.5
347.41446	0.4
357.10208	0.6
357.14450	10.3
358.12775	1.9
366.11771	0.4
459.17538	0.5
469.16412	1.1
487.16873	1.6
501.18585	0.9
503.36838	0.4
519.19598	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	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.97695	1.1
53.03940	1.9
55.05508	13.1
57.03428	5.0
57.07061	2.9
60.01075	1.1
65.03923	1.3
67.05501	28.9
69.07058	16.6
70.71455	2.6
79.05488	25.2
81.07049	36.7
83.04984	2.3
83.08611	7.3
83.91109	1.1
85.06549	2.1
91.05474	18.0
93.07033	30.5
95.04948	2.2
95.08601	27.9
97.06525	2.9
97.10167	2.7
99.36621	1.1
103.41018	1.1
105.07030	26.9
107.08578	21.2
109.06546	2.0
109.10165	12.4
111.08086	1.7
113.09644	1.2
114.29832	1.1
117.07013	8.6
117.07732	1.3
119.08564	25.0
121.06507	1.2
121.10136	16.2
123.11711	4.5
125.09600	1.4
129.06987	4.3
130.47318	1.0
131.08546	17.8
133.10104	17.2
135.11670	9.7
139.11137	1.5
143.08588	5.3
145.10106	15.5
147.11662	11.9
149.09711	1.4
149.13260	6.9
155.08545	2.6
157.10141	4.4
159.11670	10.8
161.13222	7.7
163.14806	1.9
169.10126	2.5
171.10474	1.0
171.11633	5.8
173.13237	9.5
175.14836	4.7
177.16367	1.5
183.11700	3.3
185.13258	6.1
187.14796	5.3
189.16373	1.6
197.13297	2.9
199.14867	3.4
201.16397	3.2
211.14749	1.6
213.16454	3.0
231.17325	1.1
239.18297	1.5
241.18083	3.2
259.20648	2.9
281.20929	1.2
284.17874	1.1
287.23932	2.0
299.23755	2.0
301.25235	1.4
303.23102	1.3
313.21970	1.1
313.25354	1.7
317.24860	1.3
325.25015	1.6
333.24515	1.6
355.26447	1.1
391.28400	1.3
405.30060	2.8
407.27966	2.5
407.33206	3.3
425.34119	14.1
443.35150	4.8
467.41583	1.3
499.37753	16.2
517.38861	100.0
518.39081	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	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03938	1.9
55.05513	15.2
57.03423	4.4
60.06824	1.4
62.84695	1.5
67.05500	22.8
68.82310	1.6
69.07062	11.9
71.04972	1.7
71.56874	1.7
71.57264	1.8
79.05481	18.5
81.07052	29.1
83.08620	8.5
91.05465	15.0
93.07042	22.7
95.08595	25.6
96.05072	1.5
97.06565	2.5
97.10152	4.4
99.08115	1.9
105.07018	20.6
107.08581	20.2
109.10145	10.7
117.07009	8.0
119.08578	21.0
121.10139	13.1
123.11695	4.1
129.07010	4.3
131.08549	14.0
133.10112	15.0
135.11700	7.4
143.08565	4.7
145.10121	15.0
147.11671	7.9
149.09612	1.7
149.13275	5.9
155.08566	2.0
157.10143	6.3
159.11673	9.3
161.13269	6.0
163.11256	1.9
163.14853	2.0
171.11684	6.0
173.13208	11.1
175.14793	3.8
183.11678	2.8
185.13283	4.1
187.14841	3.7
196.23470	1.7
197.13135	2.0
199.14844	4.1
219.17558	1.6
241.17963	2.9
245.19023	2.8
259.20627	2.7
260.21655	1.9
289.21487	1.9
290.68161	1.6
291.27808	1.9
325.25214	1.6
405.29993	2.3
407.32599	2.9
421.29028	1.8
425.34009	14.9
438.78867	2.0
443.35236	6.0
449.33206	1.6
478.76645	1.5
499.37723	16.4
517.38818	100.0
518.38922	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	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03942	2.7
54.15171	1.3
55.05506	15.7
56.62249	1.3
57.03437	4.8
57.07088	1.9
67.05504	25.3
69.03396	1.3
69.07065	15.4
69.68103	1.5
71.13998	3.1
79.05488	21.3
81.07052	33.4
81.81153	1.4
83.08620	8.4
85.06534	2.5
91.05481	17.3
93.07045	28.1
95.04965	1.8
95.08604	30.6
97.06559	3.7
97.10158	3.2
99.08080	2.7
104.10707	2.1
105.07035	27.0
107.08585	19.3
109.06515	1.4
109.10161	15.7
111.08081	1.8
117.07007	7.1
119.08586	25.5
121.10128	13.5
123.08063	1.7
123.11730	5.4
125.09726	1.6
129.07022	3.8
131.08571	14.6
133.10117	21.1
135.11665	10.6
143.08545	4.1
144.35239	1.4
145.10120	16.7
147.11703	10.9
149.13266	6.1
155.08559	3.3
157.10139	8.8
159.11697	14.7
161.13295	6.0
163.14822	2.7
169.10114	2.9
171.11729	6.6
173.13248	8.6
175.14861	4.8
183.11673	3.1
185.13315	5.0
187.14867	4.3
189.12715	1.9
197.13367	1.8
199.14897	3.1
201.16438	2.4
241.17947	2.2
259.20612	3.0
261.22229	1.5
263.20084	1.9
281.21130	1.8
289.22018	1.8
299.23621	3.0
301.25699	1.6
313.25104	2.1
331.26215	1.8
335.14554	1.7
382.54745	1.3
405.30011	4.0
407.33023	3.7
425.34061	15.2
443.35394	7.4
499.37808	17.0
517.38892	100.0
518.39337	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	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.54021	1.6
55.01854	2.3
55.05508	16.0
57.03431	2.7
57.07066	3.4
65.03991	1.8
67.05507	29.0
68.84204	1.8
69.07068	14.1
69.12074	1.9
69.86490	1.6
70.14999	9.0
79.05499	20.6
81.07053	36.3
81.10513	2.1
83.08619	7.6
84.32370	1.8
89.17750	1.8
91.05479	16.4
93.07047	33.5
95.04987	2.6
95.08616	26.9
96.02127	1.7
97.06555	2.2
97.10184	2.8
98.20694	1.9
99.84901	1.7
105.07038	22.8
107.08589	18.5
109.06467	2.1
109.10163	12.6
113.67126	1.9
117.07022	7.3
118.03493	2.0
119.08584	21.9
121.10126	15.0
129.07033	4.4
131.08559	16.8
133.10138	18.5
135.11703	10.3
139.11203	3.0
143.08591	8.3
145.10120	16.8
146.30133	1.9
147.11682	10.1
149.13283	7.2
157.10143	4.8
159.11684	15.1
161.13263	6.0
163.11116	2.3
163.14845	5.4
171.11742	5.7
173.13264	10.7
175.14886	2.7
184.07443	3.8
185.13330	3.2
187.14891	4.2
199.14915	3.9
201.16353	3.6
241.17789	2.3
259.20541	3.8
299.23712	2.7
313.25150	3.1
327.26752	2.0
333.24139	2.4
381.26877	2.4
407.33359	5.9
415.72284	2.0
425.34235	13.0
443.35464	6.4
499.37845	17.7
517.38904	100.0
518.39258	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	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05030	0.5
57.03439	0.1
58.06308	0.1
58.06627	0.5
59.07141	0.1
59.07407	0.1
60.08160	6.7
67.05500	0.7
69.07062	0.1
69.19532	0.1
69.93579	0.3
69.93998	0.1
70.06612	0.1
70.64267	0.0
71.07368	3.2
79.05489	0.3
80.97418	0.1
81.07043	0.5
86.09701	33.6
87.10044	0.2
91.05464	0.2
93.07030	0.3
95.08595	0.3
95.93925	0.1
98.21430	0.1
98.98456	3.4
104.10740	3.3
105.06973	0.1
107.08594	0.1
109.10173	0.1
116.99456	0.1
118.61323	0.1
119.08565	0.1
121.10106	0.1
124.99995	24.2
143.01047	0.3
155.31917	0.1
165.12390	0.1
166.02713	0.1
184.07329	100.0
185.07693	0.7
190.29790	0.1
258.10974	0.2
258.28580	0.1
303.56204	0.1
335.25772	0.2
336.23361	0.1
422.03122	0.1
462.82614	0.1
500.31381	0.9
518.32428	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	517.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83300	0.2
60.47746	0.2
63.02346	0.3
65.05303	0.2
69.03423	1.2
70.06579	0.8
71.52774	0.4
79.05494	0.6
84.08131	0.4
85.02899	0.7
89.03909	3.9
97.02874	0.5
107.04937	1.5
116.96502	0.2
117.03377	6.6
124.07599	0.2
127.03889	0.9
129.10204	0.6
135.04407	12.4
145.02844	9.0
147.74826	0.2
163.03891	100.0
163.88100	0.2
164.04239	1.0
181.04959	0.6
188.89664	0.2
191.91809	0.3
194.77927	0.2
203.11099	0.3
242.63416	0.2
307.08005	0.8
325.09198	0.7
337.09259	0.3
517.31696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17274	0.3
52.83776	0.4
53.03923	0.5
57.03429	0.7
61.02906	1.2
66.83978	0.4
69.03423	3.1
70.06578	2.6
71.15908	1.0
72.08134	1.7
74.06034	0.5
79.05472	0.5
81.03409	1.1
83.06132	0.4
84.04485	1.1
84.08126	1.4
85.02899	7.9
86.09678	1.3
89.03916	5.0
91.03955	0.5
97.02881	2.1
101.07156	0.7
102.96056	0.4
107.04951	1.6
109.02850	1.0
115.08654	0.5
117.03377	5.9
125.61868	0.4
127.03906	1.7
129.06612	0.5
129.10245	0.6
130.04956	0.5
130.06621	0.5
135.04404	13.6
145.02849	10.3
145.03874	0.3
145.04945	1.8
152.07062	0.5
161.02301	0.5
163.03886	100.0
164.04309	0.9
167.06972	0.7
177.49033	0.4
183.11452	0.4
193.04936	0.6
226.62177	0.4
236.85249	0.4
395.22324	0.7
420.34042	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	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	25.7
57.03416	8.5
67.05505	60.4
69.03431	10.6
69.07050	28.4
69.43273	47.7
69.43701	17.3
71.08605	9.5
79.05483	25.2
81.07062	100.0
83.08601	17.9
85.02906	11.8
86.09698	26.3
86.77045	6.3
91.05457	24.9
93.07040	28.4
95.04948	9.9
95.08604	68.6
97.10157	13.9
98.20766	14.2
99.85458	6.4
102.20599	6.5
104.10754	10.9
105.07014	20.3
107.08572	28.8
109.06448	7.7
109.10131	31.0
110.77112	6.5
113.00007	27.6
118.45336	6.2
119.08556	19.8
121.10158	10.8
123.11701	16.2
124.99984	15.5
125.09609	8.3
133.10156	23.1
135.08147	6.7
135.11697	13.6
137.13219	11.2
141.12935	6.8
147.11671	10.3
149.13208	15.2
160.29501	6.5
161.13310	17.0
163.14771	12.4
175.14732	14.1
179.14365	8.2
179.17868	7.9
184.07330	58.7
245.22650	32.7
263.23715	28.7
289.21985	7.3
300.28915	10.1
331.26144	14.6
337.27365	35.8
349.27478	8.9
355.28381	7.2
405.30106	34.4
499.32874	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
54.18914	4.8
54.64697	4.5
55.05492	21.8
57.03426	9.5
57.07074	4.6
57.10424	4.4
60.47015	4.5
61.02947	7.6
63.99565	5.7
67.05177	7.5
67.05502	82.7
67.45410	4.5
69.03416	20.8
69.07054	22.7
76.16042	4.8
79.05486	70.7
81.03391	14.5
81.07055	100.0
82.84338	4.7
83.04970	13.4
83.08604	8.8
85.02893	8.6
91.05470	42.3
93.07043	69.5
95.04963	15.9
95.08600	65.8
97.02892	7.7
97.06515	7.7
98.21529	12.9
105.07022	32.4
107.08582	43.5
109.06493	8.0
109.10144	35.3
109.89594	5.1
110.81119	5.2
115.47417	4.7
117.07007	15.4
119.08581	29.2
121.06466	7.0
121.10132	46.5
123.11709	12.2
128.05376	4.9
129.05496	5.2
129.06956	12.1
131.08554	27.4
133.10156	27.4
135.02219	4.7
135.08028	7.3
135.11665	33.2
137.13190	7.5
139.11130	5.4
143.08546	11.3
143.66573	5.1
145.10095	25.2
147.11681	14.4
149.13188	24.1
157.10162	7.1
159.11644	22.3
161.13242	13.5
163.14838	7.8
171.11656	8.3
173.13217	20.9
185.13206	9.7
196.27696	5.2
229.67346	7.0
243.21051	14.8
261.22165	67.3
301.21634	6.0
303.23053	8.0
335.25677	13.1
345.24347	11.0
353.26733	19.6
369.24146	9.0
386.19739	4.8
387.25345	6.4
405.26459	7.3
419.27609	6.4
432.44742	5.0
461.29108	6.5
497.31036	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93763	3.4
53.03924	7.6
55.01868	3.8
55.05511	20.0
57.03425	10.3
57.07067	4.7
57.61624	3.5
61.02918	5.9
67.05501	95.7
69.03417	13.6
69.07060	18.5
70.38307	12.4
71.04968	5.3
79.05492	59.5
81.03419	9.1
81.07050	100.0
83.04961	5.7
83.08606	11.9
84.03377	3.2
85.02885	8.0
87.27474	3.4
91.05471	38.6
93.07043	79.4
95.04960	9.5
95.08603	82.0
96.37384	3.3
97.02904	3.6
97.06516	4.3
97.10155	6.1
105.07023	37.3
107.04946	4.5
107.08586	51.1
109.06493	6.2
109.10126	38.9
117.06999	12.9
119.06077	3.6
119.08565	29.7
121.10140	42.4
123.08066	5.5
123.11693	19.7
129.06992	5.7
131.08557	27.2
133.10114	22.2
135.11690	36.0
137.09598	6.4
137.13260	6.6
143.08536	5.7
145.10109	21.0
145.66844	3.8
147.11697	19.0
147.85019	3.1
149.09575	3.7
149.13260	25.0
151.11223	5.6
151.14816	4.3
155.08510	5.3
157.10086	4.7
159.11671	18.4
161.09593	4.8
161.13242	14.2
163.14803	18.9
165.12749	4.0
171.11636	4.4
173.11977	3.6
173.13252	19.7
175.14807	5.2
177.12721	3.8
177.16432	7.4
179.51527	4.3
187.14783	12.0
191.14272	4.9
217.15817	4.0
233.22481	5.8
243.21071	28.9
261.22122	94.6
279.23099	4.5
287.60895	3.5
299.08063	3.6
301.22043	4.5
303.23123	4.5
335.25836	10.1
345.24191	8.4
353.26733	17.7
369.24194	5.4
381.91809	4.0
387.25342	6.7
419.27820	5.0
461.28616	4.6
497.31070	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05516	18.0
57.03423	10.4
57.07052	3.4
61.02916	4.7
65.62553	2.3
67.05500	94.7
69.03419	8.0
69.07052	20.9
71.04970	5.4
73.02889	4.4
79.05488	50.9
81.03413	7.1
81.07051	100.0
83.04982	4.4
83.08611	10.6
85.02896	11.0
85.06534	3.1
91.03931	3.0
91.05478	31.1
93.07037	64.6
95.04974	7.4
95.08601	75.4
97.02866	6.3
97.06525	8.3
97.10148	4.5
99.04427	3.6
99.08104	4.9
105.07016	30.5
107.08589	41.3
109.02882	2.3
109.06451	5.9
109.10152	39.0
110.69652	2.7
111.08074	4.8
115.05381	2.3
117.07028	12.9
119.08585	23.4
121.10128	35.2
123.11713	15.5
125.70079	2.9
129.06955	4.7
131.08578	27.3
133.10085	20.2
135.11693	30.5
137.13257	6.6
139.11041	2.8
143.08507	4.7
145.10121	21.1
147.11713	16.7
149.13264	17.4
151.14748	3.0
155.08589	4.1
159.11700	22.9
161.13240	15.9
163.14812	10.9
171.11626	5.5
173.13217	14.8
175.14842	4.6
177.12686	3.7
177.16385	5.5
179.14366	2.7
179.76530	2.4
185.13290	2.6
187.14824	10.9
191.14313	3.6
197.13196	3.1
199.14865	3.6
201.16312	3.2
233.22733	5.0
243.21045	22.0
261.22122	74.1
261.24878	3.8
279.23199	5.7
301.21857	4.8
303.23175	4.4
317.24628	3.2
335.25717	25.1
345.24329	6.1
353.26797	18.4
369.24231	4.7
377.26773	4.2
387.25162	3.1
419.27975	3.4
429.29114	2.9
479.29910	3.3
479.84622	3.3
497.30951	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	515.3208
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
52.69183	1.7
54.03727	1.7
55.05505	12.2
57.03407	5.9
57.07074	5.0
67.05502	16.0
69.03469	2.0
69.07061	17.2
70.28793	7.2
71.01333	8.1
71.08624	2.0
73.02896	6.4
77.51059	1.7
79.05463	6.6
81.07048	17.9
83.08617	11.4
83.87995	1.9
85.02896	17.1
85.03345	3.0
91.05490	3.7
93.07038	10.9
95.01328	3.2
95.08601	15.6
95.55113	2.2
97.02865	4.9
97.10155	7.6
99.00813	2.6
101.02360	3.0
103.03935	2.8
105.07008	1.9
107.08575	6.4
109.10133	5.4
111.07990	2.1
113.02338	6.7
121.10115	7.9
123.11644	3.7
131.03369	4.5
135.11659	7.7
141.01825	11.1
141.29277	2.1
145.10092	2.8
149.13144	2.8
159.06517	2.2
163.14815	2.0
169.04976	2.0
173.13205	2.2
215.05447	5.2
243.08351	2.0
247.24196	4.9
265.25226	13.2
280.12094	2.1
339.28961	20.4
514.50977	3.6
515.31738	100.0
517.11371	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40398	3.6
53.03933	7.6
55.01867	4.8
55.05507	20.1
57.03442	19.1
61.02905	13.8
67.05503	97.9
69.03413	12.9
69.07059	21.5
69.18408	4.0
69.18716	44.3
71.04971	8.5
73.02902	7.5
79.05494	58.4
81.03406	13.5
81.07053	100.0
83.04958	7.4
83.08607	12.9
85.02897	16.8
91.05464	46.7
93.07046	83.6
95.04965	12.5
95.08603	71.9
95.44808	3.7
97.02895	11.9
97.06499	6.5
97.10149	5.5
97.28445	3.4
99.08087	8.3
103.03941	5.7
105.07027	42.8
107.04932	6.4
107.08575	41.5
109.06510	14.3
109.10146	37.1
111.04429	5.2
111.60487	4.0
117.07016	19.8
119.08589	29.3
121.10138	28.1
123.08069	10.4
123.11745	18.7
123.56783	4.2
129.07037	6.3
129.63773	3.5
131.08582	29.3
133.10120	25.6
135.07961	5.1
135.11713	28.2
137.09616	4.9
137.13310	8.5
143.08522	7.0
145.10120	25.2
147.08054	4.0
147.11707	14.1
148.94923	3.6
149.09605	3.6
149.13303	20.1
155.08461	3.9
157.10130	9.9
159.11697	22.5
161.13255	11.7
163.14847	6.4
169.10176	5.2
173.13264	22.3
175.14792	4.6
177.16415	6.1
185.13112	4.4
187.14874	7.7
199.14766	4.4
243.21030	13.4
261.22137	46.9
269.55908	3.6
279.23334	5.9
285.22241	5.2
301.21591	11.3
303.23190	11.4
335.25742	25.6
345.24286	13.0
351.23297	3.6
353.26974	17.7
369.24228	7.6
377.26816	5.7
405.26398	7.0
419.27979	10.5
497.30984	13.9
504.28101	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
54.41705	5.5
55.01859	11.4
55.05500	27.1
57.03430	32.4
57.17662	5.6
61.02927	41.2
67.05500	90.5
69.03428	36.5
69.07057	30.5
70.06579	8.2
70.79201	10.3
70.79538	8.7
71.04991	9.0
71.08621	25.8
73.02913	12.4
79.05488	78.4
81.03400	31.3
81.07057	79.0
83.04967	13.3
83.08601	16.7
85.02901	36.7
86.09678	9.2
88.07590	7.3
90.44696	6.2
91.03954	22.4
91.05478	46.8
93.06566	7.7
93.07043	84.3
95.04945	13.1
95.08603	61.5
97.02887	28.5
97.06516	15.5
99.04424	7.1
99.08095	19.6
105.07030	46.2
107.04930	8.1
107.08579	48.9
108.48227	5.6
109.02847	6.6
109.06498	8.1
109.10158	34.1
111.74702	6.6
111.85885	7.0
117.06990	11.3
119.08588	24.6
121.10141	47.6
125.09602	8.3
127.03898	24.4
129.05476	8.6
131.08542	16.3
133.10150	27.9
135.11687	38.3
143.08592	7.2
145.04890	7.9
145.10162	11.5
147.11627	15.9
149.05939	6.2
149.13235	14.3
151.11157	12.1
159.11740	8.0
161.13234	26.2
173.11766	9.8
173.13171	12.1
177.12813	7.0
179.14296	90.3
183.06435	6.7
200.20137	7.3
201.07527	11.4
214.03316	6.4
235.17107	7.8
241.19496	10.2
259.20581	24.4
277.21619	100.0
292.60242	7.3
310.70123	5.9
351.25299	78.8
433.79623	6.3
495.29080	7.6
512.50067	9.5
513.10150	6.1
513.30457	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.05510	8.7
57.03433	8.0
61.02921	12.3
65.03925	2.0
67.05503	22.3
69.03432	5.5
69.07066	9.4
69.73329	7.5
69.73739	3.8
70.06588	3.5
73.02940	4.3
79.05488	30.9
81.03405	4.6
81.07055	30.0
83.08620	4.0
85.02885	11.1
85.06558	2.6
86.09701	4.0
91.03954	4.7
91.05482	24.6
93.07046	37.7
95.04967	3.7
95.08599	17.0
97.02904	10.0
97.06510	2.9
105.07023	25.2
107.04930	2.0
107.08619	22.5
109.02898	3.0
109.06501	2.7
109.10177	9.4
111.08089	3.1
117.07027	9.1
118.79395	2.1
119.08583	22.3
121.10123	23.4
127.03941	3.0
129.07011	5.8
131.08553	15.4
133.10121	20.9
135.11678	19.5
137.09607	2.1
141.06981	2.2
143.08554	5.5
145.10112	15.5
147.11685	25.6
149.13264	15.2
151.11122	2.4
157.10112	10.5
159.11714	10.0
161.13216	17.9
163.14912	4.3
171.11658	9.3
173.13284	5.7
175.11290	2.2
175.14848	10.3
181.10245	2.2
183.11668	3.1
185.13275	6.4
187.07623	2.4
197.13260	2.2
199.14807	3.3
203.14287	2.1
213.16466	2.6
231.21031	3.5
241.19505	17.3
253.20056	1.9
259.20551	39.2
271.20688	2.6
272.89337	1.9
275.19922	2.6
277.21677	6.8
285.32318	2.0
333.24252	7.2
349.23703	6.0
351.25278	100.0
363.25381	2.5
367.22610	3.4
375.25256	2.3
417.26089	2.2
441.26364	4.3
459.27222	3.6
495.29230	4.1
508.79523	2.2
513.26520	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	514.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
53.93291	3.6
55.01859	3.3
55.05505	7.2
56.05027	2.6
57.03424	7.1
67.05511	12.5
69.03429	6.6
69.07068	11.6
69.77483	19.6
70.06591	77.9
71.06934	4.4
72.08155	23.6
72.96663	3.3
73.30318	2.8
74.06055	3.9
76.47147	2.6
79.05496	11.6
81.03416	99.4
81.07063	6.9
83.04975	6.7
83.08607	24.2
84.04501	10.5
84.08148	22.9
85.02905	7.9
86.09703	41.2
91.05486	20.9
93.07046	8.1
95.04960	29.4
95.08610	5.2
97.02905	4.6
102.05567	3.3
103.05380	3.7
105.07025	7.9
107.04960	13.5
107.08612	5.0
110.07133	7.3
111.04440	6.1
111.08089	12.3
112.08723	3.7
114.09109	4.1
115.08726	4.0
116.07046	3.3
119.04900	4.2
119.08591	13.0
120.08099	42.8
121.06503	7.8
121.10168	4.4
122.09682	4.0
123.04414	3.2
127.69169	2.8
129.07002	8.6
129.10193	7.4
131.08566	4.8
133.10173	5.2
136.07584	12.0
137.06044	3.4
138.09140	5.0
140.07047	14.3
147.04356	3.3
147.08052	3.8
147.11684	9.9
149.09619	3.6
152.07014	5.3
157.10118	11.2
159.09311	3.6
168.10204	12.5
175.11160	16.6
177.05438	7.0
193.12231	78.3
194.12592	4.5
207.11371	3.5
211.13220	6.9
229.15532	5.2
243.17140	5.6
259.09689	6.0
260.09854	3.6
267.15906	66.4
285.16968	100.0
285.20163	4.9
309.16943	13.1
313.11847	4.8
337.87454	3.4
375.18045	5.4
445.39459	3.2
482.19156	4.9
496.22406	3.8
507.30585	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	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.20663	3.5
55.05510	6.8
57.03413	4.8
61.02932	16.9
67.05504	28.9
67.93446	3.6
69.03403	4.0
69.07060	13.6
69.52727	24.3
73.02905	8.0
77.42987	3.0
79.05493	29.8
81.03419	6.5
81.07044	32.9
83.08613	6.1
85.02894	17.8
91.03951	7.6
91.05484	27.2
92.78609	3.5
93.07039	41.3
95.04968	3.7
95.08611	20.9
97.02873	10.1
105.07023	22.1
107.08595	28.8
109.10136	8.5
117.06979	5.3
119.08591	25.9
121.10138	25.4
129.07034	5.8
131.08572	9.4
133.10147	27.7
135.11664	20.3
143.08594	3.6
145.10130	15.5
147.11703	22.7
149.13258	12.4
157.10110	7.0
159.11659	14.5
161.13321	20.4
163.14764	5.8
171.11674	5.6
173.13303	7.6
175.14816	8.5
179.14244	4.9
185.13246	7.8
187.14804	3.3
216.42682	3.1
241.19548	17.7
242.19675	4.0
259.20581	38.7
277.21640	9.6
288.51108	3.8
333.24243	5.8
351.25293	100.0
367.22421	4.0
477.28824	5.5
495.29779	6.2
506.77194	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	513.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.0
55.29719	2.9
57.03441	6.5
61.02935	17.1
61.03192	3.0
61.49541	3.1
67.05508	28.3
67.09349	2.9
69.07056	7.6
70.06591	3.8
71.04995	3.9
71.51210	3.3
73.02920	5.6
79.05495	28.7
81.03452	6.5
81.07050	29.1
83.08614	7.5
85.02908	11.7
88.88359	3.2
91.03929	4.7
91.05470	27.2
93.07048	46.8
95.04965	5.3
95.08611	25.4
95.60137	3.2
97.02892	7.3
97.10194	3.1
103.93874	3.2
105.07017	25.1
107.04991	5.3
107.08586	28.4
109.10169	10.1
117.07029	9.5
119.08580	26.8
121.10142	27.7
129.06979	4.4
131.08592	15.9
132.59053	3.6
133.10104	21.6
135.08081	4.0
135.11679	20.5
143.08560	10.1
145.10144	14.4
146.26709	3.7
147.11681	24.0
149.13278	17.6
159.11700	11.1
161.13237	18.4
163.14853	4.2
169.10132	3.7
171.11736	9.3
173.13315	8.0
175.14874	12.1
177.05644	3.5
185.13239	6.3
187.14771	4.1
199.14809	4.5
241.19540	18.4
259.20587	40.9
263.06116	3.3
277.21783	7.4
333.24191	7.9
351.25284	100.0
441.26236	4.0
495.29376	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18278	1.9
53.03944	3.4
55.01873	3.7
55.05511	32.5
57.03436	22.8
57.07073	11.8
61.02924	2.3
63.71622	2.0
65.03929	3.8
66.46148	1.9
67.05505	85.7
69.03425	10.6
69.07066	36.6
70.06576	3.0
70.79289	3.1
70.79652	6.0
71.01350	27.9
71.05001	2.5
71.08620	7.4
73.02916	21.9
75.04444	2.9
79.05494	29.0
81.07054	100.0
81.61245	2.1
83.01353	3.7
83.04972	4.3
83.08614	24.0
85.02908	53.2
85.10178	4.2
86.09689	2.2
88.02200	3.0
88.07616	2.7
88.68613	2.2
91.05476	20.3
93.07047	36.8
95.01318	14.0
95.04963	6.1
95.08604	83.8
97.02881	19.2
97.06527	7.2
97.10162	14.1
99.00809	5.7
99.04473	2.9
99.08096	2.3
101.02386	5.8
103.03944	6.5
105.07031	19.0
107.08588	21.2
109.10153	39.4
111.08064	3.7
111.11708	5.4
113.02367	22.5
113.09677	3.1
116.69290	2.1
117.07011	2.8
119.08569	16.2
121.10133	24.7
123.00828	3.1
123.11694	18.2
125.02380	2.6
131.03372	11.8
131.08545	6.1
133.10114	15.0
135.11665	12.1
137.09543	2.2
137.13257	9.3
141.01825	32.9
145.10069	2.3
147.11691	11.8
149.13264	9.7
151.14799	3.9
159.02913	7.0
159.06572	4.1
161.13278	11.1
163.14815	10.3
165.12823	2.5
169.04935	2.9
173.13260	2.6
174.33087	2.0
175.14871	9.1
177.16415	2.4
179.17915	2.2
187.06090	3.0
189.16417	5.7
193.15851	3.8
197.04373	2.5
215.05478	10.2
245.22614	21.8
256.26456	5.3
263.23724	36.6
268.22745	3.2
283.26212	3.4
287.23712	3.5
305.24832	3.7
311.25821	5.2
337.27374	63.4
339.63239	2.1
357.24197	4.2
379.28769	2.7
431.28275	2.9
441.26544	3.2
468.63690	2.1
477.28622	2.5
495.29459	4.8
512.50244	4.8
513.30444	19.7
513.50653	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	511.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71583	5.1
55.05495	14.8
57.03426	9.0
57.07080	8.2
67.05507	13.4
69.07065	18.5
70.22891	10.0
70.23270	7.3
75.74367	4.7
79.05439	6.3
81.07053	18.5
83.08609	16.2
88.36868	4.8
95.08614	15.1
97.10160	9.0
98.98464	29.7
112.41688	5.0
135.11757	5.6
155.00941	6.2
158.37636	5.4
160.34468	5.1
212.63094	4.9
339.28928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68555	1.4
53.03941	4.4
55.01867	2.8
55.05505	13.5
55.92079	1.4
57.03432	3.5
57.07077	4.1
67.05506	12.9
69.03128	1.6
69.03429	14.9
69.06731	2.4
69.07068	25.7
69.95911	4.6
69.96315	2.8
70.06580	8.6
71.04996	9.9
71.08648	3.9
72.08160	3.0
73.02908	2.3
79.05475	3.8
81.03419	10.2
81.07050	33.1
83.05000	1.9
83.08622	12.9
84.08141	2.6
85.02903	26.7
85.06534	8.9
85.10195	3.1
86.09705	7.3
87.00830	16.4
91.05492	4.3
93.07037	6.2
95.08604	68.0
97.02883	11.7
97.06524	6.2
97.10162	15.4
98.20896	2.3
99.04444	4.2
99.08102	3.7
105.01871	12.1
105.07056	9.3
107.08594	5.6
109.02881	10.8
109.10156	25.2
111.08053	5.0
111.11716	15.0
117.30903	1.5
119.08589	10.6
120.08100	2.4
121.10146	3.4
123.11694	4.0
127.03907	19.8
128.33052	1.6
129.01816	2.2
133.10130	12.5
135.11667	4.4
137.05997	2.3
137.09689	1.8
145.04950	5.1
147.11693	7.1
149.13248	4.8
151.14813	51.9
159.02914	3.8
165.16353	3.3
169.41753	1.6
175.14821	37.2
185.19017	13.2
190.96172	1.6
193.14240	3.1
193.15877	39.9
193.17474	3.0
204.85973	1.6
211.16931	100.0
212.17226	1.7
213.03909	2.8
229.17978	77.1
231.05026	5.9
247.19046	14.3
319.18823	2.8
332.41553	1.7
398.23013	1.8
423.20258	2.6
441.20935	1.8
459.22290	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	512.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03698	0.9
53.03932	3.1
55.01846	1.7
55.05507	5.5
56.05032	1.6
57.03421	1.8
57.07081	1.6
60.04507	2.0
61.02908	3.0
65.03925	1.4
67.05482	3.7
69.03084	0.9
69.03411	6.5
69.07059	5.1
69.82130	4.9
69.82553	1.7
70.06583	19.5
71.04966	1.5
71.06905	1.1
72.08160	8.1
74.06055	1.4
79.05492	13.7
81.03407	3.0
81.07049	7.9
83.04964	2.6
84.04484	3.7
84.08147	7.3
85.02898	32.4
86.09700	11.5
91.03928	1.8
91.05470	20.1
93.07036	80.7
95.04954	6.0
95.08598	15.2
97.02881	9.5
97.06483	1.1
98.20829	1.2
99.04416	1.2
99.21175	0.9
105.04488	2.2
105.07034	7.2
107.04929	3.6
107.08585	100.0
108.08917	1.0
109.02859	3.9
109.06484	3.1
109.10140	3.0
109.17979	0.9
110.07136	4.9
119.04926	1.8
119.08563	1.8
120.08082	5.2
121.06503	1.0
121.10160	1.6
123.04407	1.1
127.03914	8.2
127.71664	0.8
129.10226	4.2
131.08524	1.4
133.10123	2.6
134.05920	1.3
135.04404	2.0
135.11681	78.3
136.07578	3.4
137.05960	2.1
137.13260	1.7
138.05505	1.1
145.02902	1.2
145.04955	10.6
147.04367	3.7
152.05782	1.5
152.07040	6.7
153.12732	13.1
163.06010	5.2
164.07068	1.2
168.10136	1.0
175.07607	1.1
177.05466	2.0
183.14958	1.0
213.12260	2.2
248.70737	1.0
271.10849	1.2
293.08929	1.2
297.17023	1.1
311.10184	1.2
339.09976	1.0
371.12473	1.0
424.99026	1.0
502.69290	0.9
512.14746	2.2
512.28369	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	511.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
54.89113	2.9
55.05513	22.6
57.03428	20.1
57.07078	3.9
64.49739	2.8
65.03939	3.8
67.05502	92.0
69.03435	5.4
69.07053	21.6
71.01353	22.0
71.04987	6.1
71.52637	5.5
73.02917	18.9
75.04463	3.0
76.02225	2.9
79.05494	54.0
79.17944	2.5
81.06595	6.0
81.07056	100.0
81.07538	5.2
83.05002	3.7
83.08637	8.8
85.02900	37.1
85.06531	5.7
86.09701	8.2
86.76247	3.5
91.05480	36.9
93.07042	67.4
95.01320	11.5
95.04957	7.2
95.08609	74.9
97.02890	13.6
97.06528	5.9
97.10186	4.9
98.13722	2.7
101.02390	4.6
103.03932	7.7
104.10735	18.2
105.07022	27.5
107.08585	36.2
109.10153	36.1
113.02375	16.4
117.05450	4.0
117.07030	12.5
119.08579	24.2
121.10129	28.9
123.11700	16.6
125.00049	3.2
129.07011	3.9
131.03398	9.7
131.08562	25.3
133.10114	18.7
135.11676	27.5
137.13217	6.1
141.01851	24.4
143.08524	3.5
145.04889	3.3
145.10117	17.4
147.11699	14.1
149.13271	14.8
159.02890	4.7
159.11662	11.8
161.13261	13.0
163.14799	12.8
169.04958	5.1
171.11545	3.9
173.13292	10.5
175.14859	5.5
177.12755	2.8
184.07327	13.5
185.13257	3.5
187.14885	9.6
199.14813	2.8
215.05487	3.5
243.21101	12.6
259.20541	6.5
261.22159	40.5
279.23190	4.2
291.01114	3.2
303.23193	7.0
317.24664	3.3
335.25797	45.8
337.27362	4.9
408.72906	3.3
511.29132	21.7
521.44373	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	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01867	4.4
55.05507	11.8
57.03442	10.6
57.07045	2.3
61.02925	26.2
67.05499	25.5
69.03427	14.7
69.07069	10.8
70.06595	3.8
70.78336	1.6
71.01364	2.8
71.04977	3.7
71.58078	2.7
73.02924	10.5
79.05495	17.3
81.03419	12.8
81.07054	24.9
83.04970	8.3
83.08601	5.8
84.04493	1.6
84.08134	2.7
85.02899	25.1
85.06539	2.1
85.88748	1.6
86.09726	3.4
91.03957	12.0
91.05482	16.4
93.07041	21.2
95.04964	5.8
95.08599	12.5
97.02898	18.7
97.06531	2.7
97.10152	1.8
99.04431	3.5
101.02348	4.2
103.03908	1.8
105.07031	17.4
107.04940	9.7
107.08574	13.9
109.02863	7.3
109.06505	8.7
109.10149	7.9
115.05431	2.1
117.07029	6.3
119.08566	12.7
121.06526	7.6
121.10130	9.9
121.98622	1.4
123.08040	4.6
123.11666	3.1
125.09628	2.2
127.03888	13.6
129.06972	3.8
129.63092	1.5
131.08562	13.7
133.06477	3.9
133.10120	12.2
135.08043	3.7
135.11699	5.4
137.05945	1.8
137.09605	1.9
143.08571	3.2
145.04938	3.1
145.06500	1.8
145.10141	11.4
147.08049	4.8
147.11711	8.9
149.09599	6.9
149.13258	2.2
151.11153	3.8
155.08531	3.1
157.10132	2.3
159.08086	3.0
159.11716	7.7
161.09586	2.9
161.13220	3.8
163.11160	5.3
169.10233	1.7
171.11761	1.9
173.13269	5.6
175.11234	2.6
177.12726	2.0
183.06512	3.1
183.11626	1.9
187.11115	2.3
187.14914	1.8
190.83527	1.9
202.33260	1.7
208.17834	1.8
209.11740	1.5
228.51950	1.7
229.19499	2.9
239.17911	2.2
245.34126	1.6
257.18961	12.4
275.20053	100.0
288.69736	1.7
293.21179	8.6
349.23743	32.0
377.23325	3.5
391.24725	7.1
398.95010	1.8
475.26593	1.9
493.27618	4.5
511.28934	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	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.2
53.40378	1.4
55.01876	1.8
55.05511	4.9
57.03432	13.5
57.87436	1.4
61.02923	18.0
65.03927	1.8
67.05499	13.5
68.86967	1.6
69.03436	10.7
69.07068	3.7
70.06592	3.4
71.04978	3.3
71.49657	3.1
72.08166	1.6
73.02907	7.9
79.05485	13.5
81.03405	6.7
81.07051	17.1
81.74332	1.5
83.04967	3.4
83.08613	2.1
84.97279	1.8
85.02904	15.5
85.06544	2.9
91.03959	10.9
91.05482	20.1
93.07038	18.1
95.04995	2.7
95.08610	10.9
97.02898	14.3
97.06474	1.6
99.04460	5.7
101.02357	2.9
101.13770	1.6
104.03796	1.6
105.07041	18.7
107.04953	4.2
107.08614	10.7
109.02866	3.9
109.06518	2.3
109.10150	4.4
117.07013	9.5
119.08563	15.5
121.06528	2.0
121.10165	5.6
123.08022	2.1
127.03918	6.1
129.07008	3.9
131.08554	12.9
133.10078	7.4
135.07973	2.0
135.11734	4.6
143.08521	3.3
145.04964	2.3
145.10115	8.9
147.11697	6.2
148.31528	1.4
149.09570	2.1
149.11707	1.6
153.12741	2.4
157.10085	1.9
159.11694	6.5
173.13315	2.7
185.13202	3.1
201.16458	4.0
203.14325	3.0
209.15405	2.1
219.17427	100.0
220.17955	1.5
257.19052	2.2
269.16913	1.5
275.20047	17.2
334.30011	2.0
349.23758	13.6
511.28531	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	511.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82049	2.5
53.03931	6.8
55.01876	16.2
55.05509	15.1
57.03426	10.7
61.02924	31.3
67.05506	35.0
69.03427	17.5
69.07069	27.4
70.06593	2.3
70.93966	8.1
71.01363	3.2
71.04988	3.9
73.02921	15.0
77.03973	2.5
79.05484	26.1
81.03410	24.0
81.07057	56.7
83.04974	7.6
83.08620	7.0
85.02905	32.3
91.03938	12.4
91.05479	45.9
91.43079	2.6
93.07044	26.2
95.01329	5.7
95.04967	10.0
95.08613	28.1
97.02891	25.0
97.06518	24.9
99.04444	5.8
100.61987	2.5
101.02361	6.2
103.05431	3.7
105.07028	67.7
105.91671	2.5
107.04926	15.8
107.08596	18.0
107.09200	2.9
109.02860	8.9
109.06485	8.4
109.10160	8.1
111.08033	2.8
117.06985	14.6
119.08578	34.3
121.06499	3.1
121.10161	9.6
123.04414	3.3
123.08045	4.0
123.11672	4.6
126.56895	2.8
127.03911	12.0
129.06984	3.2
131.08549	23.1
133.10117	44.7
135.08002	3.9
135.11658	5.3
143.08600	3.7
145.05058	2.6
145.09093	2.9
145.10098	19.6
147.11693	16.5
149.09555	7.5
149.13251	4.2
157.10164	6.4
159.11678	13.3
162.93190	3.2
163.11179	5.8
163.14751	2.9
165.09192	3.3
169.10103	3.6
171.11681	2.7
173.13263	5.4
177.12727	4.3
179.14247	18.2
182.94806	2.6
185.01344	2.5
197.13278	4.1
236.61488	3.1
239.18011	3.7
247.20557	5.6
256.15372	4.2
257.14954	3.0
257.19254	5.9
275.20041	100.0
280.60284	2.9
330.85791	2.6
349.23691	30.9
377.23090	3.8
391.24814	3.1
511.29211	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	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01863	2.8
55.05514	4.9
57.03426	2.6
57.07070	3.6
57.91610	0.8
61.02931	1.0
67.05489	3.9
69.03419	5.3
69.07066	14.5
70.06580	3.4
70.87621	1.9
70.87997	1.9
71.04982	2.7
71.08630	5.2
72.08138	1.0
73.02900	3.6
73.42851	0.7
74.60015	0.9
79.05487	3.3
81.03416	5.5
81.06593	1.3
81.07056	16.3
83.04965	2.4
83.08624	4.3
84.04499	1.7
84.08154	1.4
84.79730	0.8
85.02905	25.5
85.06537	4.0
85.10172	2.4
86.09690	3.9
87.00814	5.8
87.04464	1.0
91.05470	4.6
93.07040	4.6
95.04951	1.5
95.08617	5.4
97.02883	5.1
97.06543	2.1
97.10173	1.7
99.04438	6.0
99.08101	1.2
101.02372	7.4
104.10713	2.2
105.01869	3.7
105.07034	9.3
107.08585	5.7
109.02869	4.7
109.06516	5.1
109.10143	1.1
111.08064	1.2
113.05946	1.0
119.08578	3.8
120.08103	1.9
121.06489	1.2
121.10139	8.5
123.08062	2.5
123.11703	21.5
124.12057	1.3
124.99993	1.0
127.03914	7.8
127.07563	4.7
127.14876	1.0
128.95451	1.0
132.91466	1.0
133.10072	1.3
137.09642	1.3
137.13277	1.7
141.09102	2.5
145.04913	2.1
145.10126	1.9
147.10532	1.5
147.11684	25.9
148.04716	0.9
152.07138	1.0
155.14333	5.7
159.02858	2.2
165.12744	18.6
177.05495	1.5
183.13800	79.7
184.07300	2.4
184.14134	2.4
201.14859	100.0
202.15176	2.2
227.16420	1.4
346.89627	0.9
464.91190	1.0
510.35263	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	510.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	2.9
58.06585	1.0
65.03944	2.1
70.06593	14.5
70.22713	2.1
70.23103	1.1
71.08612	0.9
72.08139	2.3
84.08121	2.8
86.09685	3.7
88.07620	2.2
89.90409	0.6
98.20816	0.8
120.10115	0.6
121.02879	0.8
132.10181	5.3
139.03934	0.8
144.57680	0.6
146.11772	7.4
149.02335	53.8
149.03377	2.6
150.02734	0.6
163.34596	0.7
193.04956	54.2
212.23776	1.0
218.28363	0.6
237.07567	69.3
238.25322	1.7
255.08658	1.0
256.26416	2.8
276.30502	0.7
281.10187	1.4
300.25391	1.2
300.28946	25.8
309.25320	0.7
320.18304	0.6
448.30667	3.0
510.34244	100.0
511.34763	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	510.3542
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.49646	0.5
55.05515	0.8
57.03434	0.8
57.07072	4.6
58.06590	1.2
60.08160	16.6
67.05502	1.1
69.07057	1.0
69.74421	0.7
69.74831	2.4
71.07372	8.0
71.08636	2.4
81.07049	1.8
83.08607	0.9
85.10174	2.0
86.09702	49.7
93.07032	0.6
95.08582	2.2
96.51286	0.4
97.10146	0.7
98.20864	1.0
98.98454	4.3
102.22667	0.4
104.10735	97.9
105.11084	0.5
109.10146	1.0
123.11688	0.8
125.00001	27.9
127.90533	0.4
133.30986	0.5
136.12070	0.4
148.95009	0.6
163.01515	0.8
170.00417	0.4
184.07330	100.0
185.07765	0.7
191.59242	0.5
197.08453	0.6
204.72203	0.5
239.23694	1.3
258.10895	0.7
313.27332	5.5
327.28879	2.1
433.27005	0.8
492.34457	9.4
510.35513	31.5
511.36121	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	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.6
57.03433	8.2
57.07076	89.5
63.93629	3.7
65.85448	4.2
67.05505	31.4
69.03431	17.7
69.07071	25.3
69.25210	40.4
71.04971	4.3
71.08625	77.3
80.64476	3.7
81.03395	11.0
81.07052	46.0
81.50272	3.7
83.08616	32.0
85.02901	31.6
85.10168	35.6
90.52527	4.0
95.08601	61.8
97.02883	24.3
97.10161	14.7
99.04436	9.0
104.10738	6.3
109.02880	11.2
109.10162	29.7
111.11713	6.2
123.11700	15.2
125.29095	3.8
125.91142	4.4
127.03914	33.2
137.13210	7.3
138.82294	3.5
145.04950	29.3
157.59929	4.0
184.07402	8.3
221.22586	5.9
239.23688	97.2
246.44200	3.9
257.24838	4.3
313.27335	20.4
383.27924	69.4
392.69083	4.5
401.23666	6.7
401.28970	100.0
532.86615	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	510.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01865	3.5
55.05509	5.0
55.84195	0.5
57.03428	1.0
61.81046	0.6
62.06078	0.9
65.10270	0.5
67.01851	0.5
67.05498	4.9
69.07066	4.2
69.88905	2.8
70.06568	1.0
71.04984	0.5
71.08619	0.7
72.08138	0.7
79.05493	4.8
81.03391	0.5
81.07056	20.2
83.04973	2.8
83.08604	1.3
84.08143	0.9
84.21933	0.7
85.06570	0.6
86.09669	1.1
90.05540	0.6
91.05459	3.1
93.07018	3.3
95.08608	5.4
97.06512	1.3
99.08086	1.3
105.07018	2.5
107.08584	4.4
109.06517	8.1
109.10195	2.7
111.04445	14.3
111.08075	1.6
119.08566	3.8
120.08096	1.4
121.10169	3.2
123.08070	2.2
123.11662	1.5
125.05993	4.2
125.09579	0.6
127.03909	0.6
127.07519	0.6
129.07028	0.7
129.10242	0.6
131.07729	0.5
131.08524	2.5
133.10133	5.5
135.08043	2.4
135.11694	4.6
137.05975	100.0
137.13284	1.2
138.06346	1.6
143.08572	1.6
145.10188	1.2
147.08038	1.5
147.11667	5.5
149.09605	3.3
149.13251	1.5
151.07545	2.3
151.11171	1.3
157.10158	1.6
159.11674	1.2
161.09622	6.4
161.13237	2.6
163.11195	3.4
163.14786	0.9
165.09129	2.1
171.11644	0.8
175.11183	4.3
175.14864	1.2
177.09052	0.8
177.12675	1.1
179.10667	1.8
185.13368	0.6
187.26021	0.5
189.12759	1.6
193.12244	1.1
198.05450	0.6
203.17950	6.4
205.19518	0.7
213.16409	3.0
216.06340	1.8
221.19006	1.4
223.14928	0.9
231.17461	7.5
241.15948	0.9
249.18541	6.0
277.17990	53.7
278.18384	1.8
295.19037	10.2
295.22241	0.4
311.30002	0.5
320.22290	2.4
351.21646	58.4
352.22058	2.3
369.22702	25.6
370.23239	1.0
397.18262	0.9
431.18207	1.6
474.22476	0.8
492.22784	1.1
510.26605	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	509.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52851	1.3
54.61570	1.3
55.05486	2.8
67.05490	5.8
69.07055	3.4
70.06575	5.7
70.83812	3.5
75.88058	1.5
79.05479	4.1
79.79154	1.4
81.03391	2.5
81.07052	10.2
84.08127	4.8
85.02880	2.7
85.06544	2.1
86.09679	4.0
91.05474	4.5
93.07034	4.3
95.04966	2.1
95.08620	6.5
97.02908	1.8
97.06476	2.5
105.01896	1.4
105.07007	4.5
107.08569	4.6
109.02816	1.8
109.10129	5.0
119.01907	1.8
119.08574	2.1
120.08099	2.6
121.10112	3.1
123.11681	2.2
127.03903	1.5
129.10236	1.9
133.10127	3.0
135.11679	2.3
137.05948	1.8
137.13264	1.4
143.62300	1.4
145.10115	2.3
147.11682	1.9
161.02888	1.7
163.11215	1.4
177.05493	2.1
187.08070	1.4
201.03667	2.1
209.11763	2.4
243.04773	7.1
245.06297	7.0
247.18285	1.7
261.18271	8.8
271.04248	1.6
287.03732	62.9
289.02042	3.4
289.05307	70.3
425.18094	1.6
447.23566	5.7
465.24649	9.1
491.22495	100.0
492.22385	2.3
509.23465	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	509.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05299	1.5
55.05507	14.5
57.03439	8.5
60.08176	2.2
63.50307	1.8
67.05504	26.4
69.07064	18.4
69.41496	16.4
76.81889	1.8
79.05487	9.4
81.07059	28.7
81.75880	1.6
83.05020	2.0
83.08617	8.8
86.09703	3.9
91.05471	7.1
93.07034	9.3
95.08606	24.7
97.10149	4.7
98.98466	52.8
104.10754	10.7
105.07052	4.5
107.08566	3.9
109.10126	7.0
115.34503	2.1
119.08578	3.1
121.10145	3.5
123.11709	5.3
125.24842	1.8
133.10092	3.1
155.01013	3.3
173.02092	9.4
184.07307	8.3
247.05765	2.6
263.23914	3.0
266.70715	1.8
337.27359	100.0
338.27667	2.4
463.88144	1.8
509.33945	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	509.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.0
57.03433	8.2
67.05504	24.9
69.07069	16.1
71.43590	4.1
75.54163	1.7
79.05481	7.1
81.07053	27.2
83.08622	10.5
85.53214	1.7
88.28120	1.6
91.05489	4.8
91.83682	1.8
93.07040	7.5
95.08594	18.2
97.10150	5.2
98.98473	50.5
105.07021	4.4
105.64246	1.8
107.08581	7.0
109.10131	7.5
111.11681	2.3
119.08556	3.5
121.10186	4.1
123.11686	2.7
133.10136	2.8
147.11638	2.8
155.01018	5.3
173.02094	12.5
263.23727	2.2
297.46942	1.9
337.27374	100.0
509.35126	3.6
511.26474	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	509.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02388	4.6
55.01851	8.3
55.05515	28.0
55.05723	5.5
57.03431	6.0
57.07056	22.3
58.43230	4.5
65.14259	4.9
67.05508	29.3
69.03418	9.7
69.07054	49.6
70.06580	11.6
70.31360	15.7
71.08636	7.0
79.05483	24.8
81.03399	10.3
81.07054	100.0
83.04968	8.5
83.08633	33.7
84.08129	7.7
85.02890	18.2
85.06512	16.4
86.09692	15.4
91.05462	20.9
93.07051	43.3
95.04951	10.8
95.08605	65.8
97.02862	9.1
97.06540	8.4
97.10160	18.4
99.04436	5.4
99.08085	13.0
105.07008	17.2
107.04935	6.8
107.07311	5.7
107.08584	36.3
109.10143	38.4
111.08012	5.1
111.11724	11.3
117.07019	7.1
119.08569	15.8
120.08082	7.4
121.06509	6.3
121.10120	21.9
122.09635	8.0
123.11698	25.5
127.03900	12.2
131.08598	10.6
133.10112	16.6
135.11656	11.7
137.05942	5.7
137.13274	24.4
145.04993	6.3
145.10182	7.2
149.13266	26.8
150.09148	45.5
151.09482	21.9
151.14799	9.5
155.14297	29.2
161.21683	5.1
163.11137	7.2
163.14743	10.9
164.93089	5.3
210.14731	5.4
227.12791	12.7
232.85323	5.3
239.08167	5.7
275.27289	10.0
281.28339	12.9
282.09540	6.2
289.05377	8.4
293.28320	37.8
297.46439	5.6
328.09830	7.4
340.10004	12.4
449.18628	8.1
477.18265	18.8
491.22327	26.4
509.23499	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	510.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
55.01856	6.6
57.03421	5.0
59.84602	1.8
60.04505	3.1
61.02908	7.6
64.74898	1.7
67.59232	1.6
68.99770	1.8
69.03427	37.4
69.97311	6.2
69.97723	2.8
70.06564	2.5
71.04975	5.3
72.08120	1.8
73.02914	7.4
76.04672	1.6
79.78144	1.6
81.03415	42.3
81.07069	2.6
85.02905	97.7
87.00830	41.1
97.02891	66.0
98.05995	3.1
98.21479	3.4
99.04451	15.9
102.50568	1.7
105.01864	81.1
108.04487	17.4
109.02879	42.5
124.05141	1.7
126.05518	5.3
127.03912	100.0
129.01817	5.4
137.05965	4.5
145.04962	40.4
147.02820	2.2
159.02892	15.9
165.09128	2.3
166.08604	1.7
177.03955	2.1
189.03928	2.4
189.09050	9.7
207.10225	4.5
212.05602	2.3
213.03931	5.7
230.06558	4.6
231.05003	37.1
231.10182	2.4
248.07672	21.9
249.06015	23.1
255.09978	2.6
266.08710	65.9
273.11230	6.4
297.93643	2.0
302.96957	1.9
311.05673	3.5
378.43463	2.2
430.16855	3.6
486.80676	2.1
516.11194	1.9
516.33826	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	509.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08881	0.3
53.26020	0.3
55.01877	1.4
55.05497	0.6
56.05032	1.1
60.04520	0.4
60.19922	0.3
65.03947	0.3
69.03435	0.7
69.07070	0.9
70.02953	0.4
70.06594	9.2
70.06966	0.7
71.06915	0.6
71.57439	0.5
72.08157	5.0
74.06085	0.7
79.05504	0.6
81.03402	0.5
83.06082	0.3
84.04501	2.4
84.08144	5.6
85.02908	1.2
86.09707	13.4
87.09164	0.3
87.10011	0.3
88.04005	0.6
91.05480	1.2
92.05792	0.3
92.14765	0.3
97.97067	0.3
102.05527	1.0
103.05454	0.4
104.05328	0.3
106.06538	0.3
107.04964	1.0
108.04461	0.4
110.06057	0.5
110.07202	1.5
116.07068	0.4
119.04932	0.5
120.08107	9.5
120.18626	0.4
121.06503	0.5
121.08455	0.6
124.07497	0.3
127.03967	0.4
129.10229	2.5
130.04987	0.4
134.04500	0.4
134.06015	0.8
135.04442	0.4
136.07561	4.7
137.05972	3.6
138.05463	0.4
138.06345	0.9
140.07158	0.3
145.02852	0.6
148.06152	0.4
152.03473	1.0
152.07089	1.1
153.05486	0.4
159.27165	0.3
160.03905	0.6
160.07501	0.4
161.04726	0.5
162.05528	0.9
163.03928	1.1
164.04337	0.4
164.07097	0.6
166.08591	0.5
167.07066	0.6
167.08336	0.3
170.06128	0.4
170.08134	0.5
172.07596	0.5
176.07076	0.8
177.05539	0.8
177.07867	0.3
178.04782	1.5
183.09288	0.3
185.07095	1.1
186.09137	0.6
187.05087	1.4
194.09659	0.4
197.07167	0.4
197.12852	0.4
199.08698	2.5
199.12444	0.3
201.06647	2.0
201.10207	0.9
205.06078	0.5
209.10831	0.3
210.09233	0.5
211.08727	0.8
211.12497	0.4
213.06578	2.5
213.10190	2.2
214.08681	0.4
215.11818	0.4
219.07840	0.3
223.08655	0.4
224.07115	0.3
225.10147	0.4
226.07411	0.4
227.04718	0.4
227.08147	4.1
227.11734	1.7
228.06572	0.4
229.09746	1.8
231.07713	2.1
233.16518	1.4
235.10797	0.8
235.14423	0.6
237.10263	1.9
238.08641	1.4
239.08136	0.6
239.11797	0.6
241.09731	3.8
243.11246	0.5
245.09273	1.0
251.08266	0.6
255.07692	6.3
255.11298	4.0
257.09244	1.2
257.12891	1.0
259.07095	0.6
259.10742	0.9
261.16095	0.5
263.10220	0.8
265.09683	2.6
266.08066	0.5
267.07660	1.4
268.09726	0.4
269.09192	4.3
273.08704	4.5
273.12170	0.9
275.10205	0.4
275.13574	0.4
283.07581	0.8
283.10782	12.1
285.08722	0.4
287.10263	2.2
293.09225	3.7
295.13135	0.6
301.11865	2.5
303.13547	0.5
311.10260	28.0
319.12936	1.2
329.11322	43.0
330.11533	1.0
347.12372	100.0
348.12692	1.6
376.18576	0.4
378.16608	0.4
448.14197	0.4
468.51453	0.4
473.15952	0.5
491.16840	1.2
509.17706	0.8
539.74042	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	509.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06548	0.3
56.05046	0.5
69.07045	0.4
70.02959	1.0
70.06589	2.4
71.50520	0.5
72.08153	1.1
74.02422	0.6
74.06074	0.3
79.62370	0.3
80.57659	0.3
81.03413	0.5
84.04498	0.7
84.08142	1.1
85.02900	0.5
85.23064	0.3
86.09706	64.5
87.10061	0.3
88.03986	5.5
88.04823	0.3
89.46896	0.3
91.05482	1.0
93.07037	1.0
96.04508	0.4
103.05465	2.5
107.04976	0.7
110.06047	0.7
110.07132	0.3
116.03455	0.4
117.03380	0.4
120.08102	100.0
121.08444	1.2
124.03975	0.8
126.01910	0.5
129.10263	0.6
134.03546	0.5
134.04494	4.9
134.06017	0.4
136.07588	0.8
137.06009	0.5
138.05490	0.6
143.04483	0.4
145.02858	1.3
146.03142	0.4
146.09637	0.7
149.05884	0.4
150.01851	0.7
152.07034	1.8
153.05452	0.9
153.07376	0.7
163.03897	0.6
165.11333	0.3
167.82492	0.3
168.02943	0.8
170.08247	0.5
171.04033	0.7
172.07591	0.8
175.08736	0.4
177.05423	1.8
178.05833	0.9
185.05551	0.7
189.05060	1.6
190.08627	0.4
191.11765	0.9
213.05048	0.7
213.10196	0.4
214.03499	1.5
217.09769	2.0
231.06058	2.5
233.16489	43.8
234.16832	0.6
235.10791	2.1
249.07210	12.2
255.07628	0.6
255.11450	0.7
257.08249	0.5
258.08401	0.9
261.15994	17.2
263.10284	5.7
273.08841	0.7
273.12064	0.4
283.10623	1.4
289.08362	0.3
293.09103	0.5
301.11758	0.6
307.26083	0.3
311.10330	3.0
329.11288	5.4
347.12378	12.5
348.12421	0.3
349.12961	0.4
376.18604	5.4
378.12906	0.5
396.14047	4.5
406.12845	0.4
440.24118	0.3
491.21954	0.4
509.22662	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	509.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
55.05499	0.9
56.05028	1.0
60.04503	0.6
61.02909	0.4
69.03430	2.5
69.07050	0.8
70.02965	0.6
70.06592	6.5
71.04974	0.7
71.59516	0.6
71.59885	0.4
72.08155	5.6
74.06060	1.0
76.02213	0.6
81.03398	1.4
81.07023	0.4
82.06583	0.5
83.06085	0.4
84.04496	2.6
84.08134	4.5
85.02905	4.4
86.06087	0.4
86.09703	11.2
87.05627	0.4
87.10023	0.9
88.03987	0.8
91.05483	1.0
94.06529	0.4
97.02877	2.3
97.06509	0.5
98.06035	0.4
99.04461	0.6
101.07124	0.4
102.05534	0.9
105.07060	0.5
106.06522	0.6
107.04921	0.8
108.04448	0.6
109.02839	0.6
110.06010	0.4
110.07134	1.2
117.03374	0.5
119.04942	0.5
120.08096	9.3
121.08463	1.1
122.02711	1.6
122.05995	0.5
123.04454	0.6
124.05076	0.5
125.86230	0.5
127.03909	1.5
129.10233	2.9
130.04985	0.9
134.05978	0.6
135.04395	0.7
136.07579	4.0
137.05954	0.8
138.05470	1.0
139.05843	0.4
140.07069	0.7
145.02798	1.5
145.04951	0.5
146.06049	0.6
147.04449	0.8
147.07620	0.4
150.05461	0.6
152.03380	0.7
152.07025	0.9
155.11818	0.6
156.08096	0.4
160.03937	0.7
162.02222	0.5
162.05502	1.0
163.03906	1.2
168.06523	0.5
172.07484	0.4
176.07018	0.9
177.05490	1.4
178.04855	2.6
183.06543	0.5
184.07635	0.5
184.09760	0.5
185.07166	0.7
185.10704	0.6
186.09169	0.5
187.05029	1.4
199.08611	2.4
199.12259	0.5
200.09222	0.5
201.06544	2.6
201.10257	0.6
205.06129	0.9
209.10704	0.6
210.09253	0.7
211.08685	1.5
213.06602	3.0
213.10260	2.4
215.08211	0.5
215.11780	0.5
222.07904	0.4
222.31393	0.4
223.08734	0.5
225.06631	0.5
225.10330	0.6
226.08630	0.4
226.15489	0.5
227.08116	4.2
227.11600	1.9
228.10341	0.6
229.09674	2.4
231.07707	2.2
233.11243	0.5
233.16525	0.8
237.10245	1.6
238.08658	1.1
239.08150	1.2
239.11885	0.5
240.10173	0.4
241.09734	3.8
243.11226	1.1
245.09314	1.1
249.16055	1.2
251.08167	0.5
255.07666	5.5
255.11270	4.4
257.09106	1.1
257.12839	1.0
259.07074	0.5
259.10782	0.9
261.16043	0.6
265.09750	2.5
267.07626	1.1
267.11060	0.6
268.09537	0.4
269.09164	5.6
273.08743	3.9
273.11874	0.7
275.13831	0.5
277.15494	1.2
278.06973	0.5
283.07556	0.8
283.10754	13.5
285.12292	0.6
287.10275	2.5
293.09143	3.7
301.11734	3.5
311.10260	27.4
312.10681	0.5
319.12982	1.6
329.11310	44.2
330.11636	1.2
334.52710	0.4
343.12317	0.5
347.12363	100.0
348.12796	2.7
491.16806	0.6
509.17783	0.7
509.25803	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	509.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11170	0.5
55.01858	1.5
55.05512	0.7
56.05022	0.9
57.03427	0.7
60.04508	0.7
61.02922	1.2
67.05477	0.6
67.11892	0.5
69.03421	2.8
69.07053	0.9
69.73844	0.5
69.74161	2.6
70.06589	6.7
72.08148	5.2
74.06069	1.1
81.03406	1.4
81.07043	0.7
84.04508	2.3
84.08153	4.2
85.02907	3.5
86.09232	0.7
86.09706	9.9
86.99043	0.4
87.05582	0.5
87.10032	0.7
88.03979	1.1
91.05478	1.1
95.04948	0.5
97.02876	1.6
99.04399	0.5
101.07130	0.5
102.05534	1.0
107.04951	0.6
108.04492	0.5
109.02837	0.9
110.06021	0.6
110.07143	1.1
117.03406	0.5
120.06655	0.6
120.08111	9.0
121.08442	1.4
122.02725	1.3
123.04438	0.6
127.03912	1.5
129.10251	2.6
130.04962	1.0
132.10150	0.6
133.06056	0.5
134.05994	1.0
136.07597	4.0
137.05968	1.4
138.05495	1.0
141.36211	0.4
145.02837	1.9
145.04913	0.5
152.03485	0.7
152.07048	0.7
156.07899	0.5
160.03973	0.6
162.05518	0.9
162.07655	0.7
163.03882	0.9
164.04179	0.5
164.07025	0.5
167.07060	0.6
169.08720	0.4
171.09254	0.5
176.07076	0.8
177.05498	2.2
178.04973	1.8
182.09584	0.5
184.07588	0.6
185.07031	0.9
185.12926	0.5
187.05014	1.2
197.07080	0.7
199.08658	2.2
201.06573	2.2
201.10268	1.0
205.05994	1.0
210.09203	0.6
211.08665	0.6
213.06693	3.1
213.10152	2.6
214.08681	0.9
217.09840	0.5
219.07516	0.6
222.07782	0.5
225.10263	0.4
227.08153	4.9
227.11772	1.3
228.06596	0.5
229.09737	1.9
231.07735	2.8
233.11304	0.9
233.16464	1.2
237.10249	1.9
238.08641	1.0
239.08202	0.9
241.09769	4.0
243.07657	0.5
243.11327	1.0
245.09248	1.4
249.16064	1.2
250.07454	0.6
254.10355	0.5
255.07628	6.3
255.11320	4.1
257.09210	1.5
257.12753	1.2
259.07034	0.5
259.10760	1.1
261.15930	0.7
263.12317	0.9
265.09720	2.6
267.07669	1.6
268.09720	0.5
269.09235	6.2
273.08728	3.5
273.11725	0.7
275.13934	1.0
277.15573	0.9
283.10764	12.2
285.12106	0.7
287.10211	3.1
293.09152	4.3
301.11829	3.6
311.10257	28.3
319.12918	2.2
329.11316	44.3
330.11639	1.0
347.12366	100.0
348.12714	2.3
455.14276	0.6
473.15240	0.9
491.16672	0.8
509.16486	0.8
509.26871	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	508.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03943	0.6
53.80051	0.2
55.43817	0.3
56.05022	0.4
59.04110	0.2
60.04528	1.6
61.73475	0.2
67.46823	0.2
67.88419	0.2
70.06592	4.1
71.18488	0.4
72.08160	2.0
74.06064	0.3
75.79137	0.2
76.02255	0.3
77.03828	0.3
79.05073	0.4
79.05493	4.4
81.03399	1.3
83.06114	0.3
84.04507	1.1
84.08141	3.1
85.02897	0.4
86.09704	2.2
89.03912	0.4
91.05474	0.4
95.04945	1.0
98.06060	0.2
102.05521	0.7
104.02871	0.3
106.06541	7.4
107.04951	36.4
109.02879	3.8
110.07153	0.4
112.08697	0.4
114.05791	0.3
116.07097	0.5
117.03354	0.6
119.04916	0.3
120.08099	2.3
121.08459	0.3
123.04395	0.9
129.10234	2.7
130.04997	0.7
134.06013	8.1
135.04407	25.8
136.07570	1.4
137.05962	0.5
145.02829	0.7
147.04349	0.4
151.03833	0.5
152.07059	100.0
153.05470	0.3
153.07437	0.7
163.03860	1.4
164.07047	0.2
166.08653	0.5
177.05458	1.3
202.08931	0.4
231.09485	0.3
269.12674	0.3
314.12405	0.4
335.94186	0.3
346.12680	0.6
457.25674	0.3
481.13037	0.3
508.18710	0.5
508.28348	0.8
508.77216	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	508.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.6
56.05020	0.4
58.06595	0.6
60.08163	6.1
67.05497	0.4
67.34019	0.2
69.07044	0.6
70.03153	1.1
71.07378	2.7
77.49463	0.2
81.07033	0.8
83.08621	0.3
86.09703	28.7
87.10017	0.2
93.07028	0.4
95.08583	0.6
98.98456	2.8
104.10739	3.1
121.10188	0.2
124.99998	20.2
143.01038	0.4
147.37285	0.3
161.64679	0.2
184.07333	100.0
185.07707	0.9
219.06721	0.3
336.26141	0.3
490.33133	0.6
508.34161	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	509.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55248	0.5
55.01870	2.3
55.05501	1.0
60.04521	0.7
61.02908	0.9
67.05505	0.5
69.03423	2.6
69.81776	2.2
70.02943	0.5
70.06591	6.4
70.24458	0.4
72.08153	10.3
72.23024	0.4
74.06059	0.8
81.03411	2.4
84.04494	2.3
84.08137	4.2
85.02911	5.7
86.09706	4.9
87.00827	0.8
88.03991	0.7
91.05457	0.9
92.04976	0.7
94.06548	0.5
97.02888	1.8
99.04445	0.8
102.05540	1.6
102.52304	0.4
105.01868	0.6
106.06575	1.5
107.04945	1.6
108.04476	0.7
109.02864	1.5
110.06038	11.6
110.07173	1.3
117.03387	0.5
120.08101	3.2
121.08411	0.7
121.47810	0.4
122.06042	0.6
127.03933	2.5
127.99619	0.4
129.06544	0.5
129.10255	2.7
130.04951	0.6
134.06017	2.4
135.04399	1.6
136.07597	2.3
137.05933	1.1
138.05508	0.6
138.09137	0.5
145.02814	0.8
145.04939	1.0
146.03165	0.6
147.02815	0.6
148.07596	0.6
150.05495	0.7
152.03465	0.8
152.07072	5.2
155.11818	1.1
159.02869	0.7
160.03941	0.6
162.05522	1.2
163.03983	0.7
176.07069	1.3
177.05458	1.2
178.05023	1.7
181.28368	0.5
182.08165	0.9
182.09628	0.5
185.07132	1.4
185.09146	0.5
187.05045	1.4
190.08644	0.5
197.07130	0.7
198.09174	1.0
199.08713	1.9
200.07141	0.6
201.06599	1.7
201.10330	1.1
201.12363	1.9
205.06122	0.8
210.09105	0.7
211.08620	0.6
211.12350	0.5
213.06593	2.7
213.10156	1.6
213.12088	0.6
215.11850	0.6
217.64088	0.5
223.08789	0.7
227.08173	3.2
227.11804	1.3
229.09668	1.7
229.11897	2.2
231.07799	2.4
237.10210	1.6
238.08635	0.9
239.08060	1.0
239.11801	0.7
241.09711	3.0
243.11244	1.0
255.07640	5.8
255.11275	3.4
257.09262	1.2
257.12817	0.9
259.10825	1.1
265.09756	2.5
267.07809	0.8
268.09552	0.6
269.09210	4.8
273.08731	3.9
273.11673	0.6
275.13962	0.7
281.14874	1.0
283.07516	1.0
283.10745	10.4
285.12482	0.6
287.10248	2.9
293.09161	3.8
301.11829	3.3
303.13477	1.1
311.06613	0.8
311.10251	24.5
319.12918	3.6
329.11304	44.2
340.10138	1.2
347.12366	100.0
348.12567	2.2
358.11267	6.8
405.51990	0.4
491.16516	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	507.368
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03918	2.6
55.01865	2.1
55.05505	28.1
57.03437	9.6
57.07071	12.7
65.03934	4.2
67.05504	100.0
69.03434	3.5
69.07069	18.1
71.04996	5.2
71.08624	6.5
79.05496	33.7
81.03413	5.6
81.07056	72.0
83.04968	3.8
83.08621	18.2
85.06527	3.5
85.10172	4.2
89.03904	2.1
91.05466	24.5
92.33955	2.2
93.07039	43.6
95.04954	4.9
95.08603	47.7
97.06513	4.8
97.10154	13.4
105.07037	17.3
107.08588	28.3
109.06489	2.9
109.10152	55.1
110.23011	2.0
111.08083	4.0
112.16151	2.0
113.75105	2.2
117.07014	11.6
119.08563	13.5
121.10157	19.9
123.11703	11.0
125.09628	12.4
131.08546	12.5
133.10146	12.7
135.08054	3.1
135.11658	12.5
137.09642	2.8
137.13280	2.8
143.08507	3.3
145.10141	9.4
147.11681	10.9
149.13266	8.0
153.09125	2.6
159.11710	8.7
161.13257	8.6
163.14784	4.5
164.03839	2.2
171.11650	3.9
173.11755	15.1
173.13295	7.1
175.14771	2.9
185.13226	2.4
187.14786	3.2
189.11278	12.7
227.12764	8.5
229.14375	30.4
234.07306	2.0
236.12711	2.0
241.19890	2.8
243.21120	5.3
259.20477	4.2
261.22101	26.2
317.24811	5.4
335.25851	21.6
378.59280	2.4
379.29736	5.2
397.30899	9.7
415.32373	10.8
433.33206	6.5
471.34753	4.8
489.35782	40.0
507.28375	3.8
507.37106	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	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01902	1.3
53.03950	1.9
55.01881	1.9
55.05510	25.7
57.03435	8.1
57.07071	7.3
57.81421	1.3
59.05000	3.3
59.28651	1.3
65.03928	2.5
67.05504	100.0
69.03423	1.8
69.07069	13.6
70.79776	4.6
70.80148	2.7
71.04977	4.2
71.08611	4.2
79.05491	30.4
81.07057	61.2
83.04987	2.5
83.08618	15.5
85.06524	3.2
85.10169	2.8
91.05473	18.3
93.07046	34.1
95.04964	4.9
95.08606	45.0
97.06523	3.9
97.10161	17.5
99.08089	1.7
101.67908	1.4
105.07040	17.6
107.08593	27.9
109.06446	1.5
109.10155	58.2
111.08060	4.5
117.07017	5.3
119.08580	19.3
121.10134	17.6
122.68194	1.4
123.08059	1.7
123.11670	8.2
125.09654	10.4
129.07005	2.4
131.08546	12.8
133.10104	14.6
135.07980	1.8
135.11693	12.5
135.90115	1.4
137.09633	2.0
137.13258	1.9
143.08517	3.1
145.10120	9.8
147.11691	9.9
149.09605	2.0
149.13263	8.3
151.11203	1.7
157.10123	3.7
159.11690	9.8
161.13252	6.6
163.11185	2.0
163.14886	3.7
171.11615	2.8
173.11749	11.6
173.13286	6.7
175.14775	2.5
185.13300	2.7
187.14799	5.3
189.11183	6.3
189.16266	1.6
213.16425	1.8
227.12869	11.7
229.14346	29.5
231.15839	2.5
243.21025	3.2
259.20578	3.6
261.22110	18.7
279.23090	2.0
303.22833	1.8
317.24698	4.0
335.25793	20.3
379.30011	3.2
397.31000	7.8
410.18991	1.7
415.32150	8.6
433.33051	5.9
471.34717	3.0
489.28799	3.1
489.35712	36.8
489.42694	2.6
507.37000	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	508.181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78248	0.5
62.67293	0.5
65.03940	1.0
69.27912	1.3
69.28323	5.1
70.57046	0.7
74.84428	0.6
83.64655	0.6
91.05472	16.2
98.21542	1.4
100.37218	0.6
107.04942	1.3
109.06528	1.0
119.04951	10.1
123.04408	1.9
135.04433	1.3
136.07545	1.0
137.05969	100.0
138.06253	1.2
139.16148	0.6
142.89032	0.7
152.07074	4.1
154.08618	38.0
163.03951	1.3
192.31898	0.6
211.37000	0.6
409.62512	0.7
410.08389	0.7
494.30237	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	508.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.6
55.01872	13.9
57.03438	6.1
60.04537	1.8
61.02933	5.6
67.05495	2.4
68.99780	2.9
69.03432	36.7
69.07059	2.6
69.75772	5.7
69.76192	2.8
70.06573	4.9
71.04978	5.5
72.08148	2.7
73.02926	9.2
79.05496	3.1
81.03419	40.3
81.07052	3.8
83.01305	1.2
84.08124	3.0
84.74095	1.2
85.02904	100.0
86.09710	4.8
87.00311	2.3
87.00828	36.9
87.04445	1.9
91.03971	2.7
91.05454	3.1
93.07034	2.5
95.04960	2.0
95.08609	1.9
97.02888	38.3
99.04446	21.3
101.70614	1.1
105.01861	33.9
105.07046	2.7
107.04948	10.2
108.04485	9.8
108.08121	1.3
109.02878	35.7
110.07175	2.0
110.09678	1.7
115.03945	2.4
117.01855	4.4
117.07047	1.1
119.04954	1.9
119.08577	2.2
120.08093	4.5
121.06524	5.7
121.10155	1.9
126.05492	4.9
127.03915	74.5
129.01837	4.3
129.10211	1.9
131.04956	1.5
136.07576	2.2
137.05972	9.9
138.09137	1.5
145.02945	2.2
145.04958	39.9
147.02913	3.6
147.11697	1.8
149.05984	2.6
150.09120	2.6
151.03917	4.4
159.02907	31.4
161.06049	2.1
165.07047	3.4
166.08614	5.1
166.29872	1.2
167.08966	3.2
172.03873	1.6
177.05440	4.2
183.08015	4.5
189.03931	2.5
207.08148	1.6
209.03091	1.2
211.07532	6.2
213.03903	2.7
223.07399	2.6
230.06625	2.1
231.05019	13.2
243.10170	16.5
248.07707	4.9
255.10263	1.8
260.12860	2.9
267.10083	6.8
284.55704	1.3
285.11249	3.2
294.09802	1.1
309.11337	3.7
327.12915	1.4
333.11276	2.8
351.12222	3.2
353.11389	1.9
508.20135	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	507.186
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
53.03942	1.6
55.01860	0.9
55.05494	0.9
57.03418	0.8
57.07064	0.7
61.02920	0.8
64.46747	0.7
67.05493	1.9
69.03413	2.7
69.07078	1.4
70.06575	3.1
70.82762	1.7
70.83102	1.1
72.08144	1.2
76.86539	0.7
79.05486	4.2
81.03408	1.4
81.07043	2.7
83.08630	0.8
84.08122	1.3
84.46746	0.7
85.02900	4.9
86.09706	4.1
91.05460	2.8
93.07047	2.5
95.04959	3.1
95.08597	2.9
97.02882	1.5
105.07030	2.2
107.04949	31.7
107.08585	1.5
109.02868	1.2
109.10152	2.7
110.07140	0.7
119.04940	1.6
119.08590	0.9
120.08093	2.5
121.06502	0.9
121.10135	1.4
123.11690	0.8
125.09634	1.0
129.10272	1.3
131.04901	0.8
133.06441	1.0
133.10141	1.5
135.11655	0.8
136.07594	0.8
140.31572	0.7
145.10205	0.8
147.04369	1.2
147.11662	1.4
153.05464	1.3
155.07066	1.0
156.85446	0.7
165.09142	0.8
166.08667	1.2
167.07005	1.2
177.05453	2.0
181.04889	1.3
187.14464	1.6
189.05447	0.8
193.04933	1.4
195.06586	1.3
205.04953	2.8
206.05710	2.5
207.06580	1.2
209.04414	6.3
211.05975	1.4
215.13997	1.8
215.16428	0.7
221.04440	6.2
223.05959	1.4
224.06792	6.0
236.06754	4.4
237.05519	0.9
237.07294	1.2
237.09239	2.3
239.09131	8.8
251.09180	8.7
265.08505	1.6
266.09387	1.0
269.08023	5.2
270.37506	0.8
271.06036	1.1
283.09802	1.1
293.18573	1.2
294.08832	1.4
295.09610	1.4
297.07526	10.5
311.09131	1.4
312.09860	2.9
327.12250	100.0
328.12540	1.4
342.03683	0.9
345.13312	44.0
463.22699	0.9
507.22504	4.0
507.29282	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	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
53.59789	1.4
53.83752	1.4
53.88111	1.6
55.01871	2.4
55.05510	17.2
57.03448	7.7
57.07070	20.8
59.37332	1.7
67.05508	50.1
68.88432	2.0
69.07080	10.8
71.04960	2.0
71.08624	14.9
71.52008	2.3
79.05485	15.9
79.29731	1.6
81.07053	37.1
82.03801	1.5
83.08621	11.7
85.06535	2.4
85.10151	5.5
85.91290	1.7
91.05469	10.4
93.07049	17.2
95.04935	2.7
95.08605	26.9
97.06505	3.6
97.10152	9.5
105.07011	8.2
107.08579	12.9
109.10159	26.5
115.03651	1.6
117.07027	2.9
119.08591	9.5
121.10130	9.6
123.11683	5.0
125.09616	4.6
131.08565	6.0
133.10112	7.9
135.11679	6.7
145.10075	3.5
147.11671	4.8
149.13254	3.4
155.10730	2.7
159.11699	5.0
161.13220	2.0
163.14604	1.7
173.11729	6.3
173.13185	3.3
176.99242	3.2
187.14803	2.2
189.11250	3.0
195.00298	100.0
213.00122	2.5
227.12798	3.9
229.14340	14.8
231.15779	2.0
243.21132	2.9
261.22119	10.7
313.27310	27.4
335.25781	11.0
397.30933	3.5
415.31848	3.8
433.33298	2.1
479.46921	2.2
489.35809	19.9
507.27014	13.8
507.36166	16.1
508.27548	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	506.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	11.1
60.04497	5.2
69.03425	4.3
69.07069	4.7
69.30304	40.2
70.06588	55.6
72.08152	21.9
74.06078	5.2
79.05481	10.0
84.04494	30.8
84.08144	25.7
85.02896	9.5
86.09721	36.2
89.03909	4.6
91.05394	4.1
97.02911	4.9
98.20724	7.6
101.07165	6.3
102.05534	17.6
106.06543	7.8
107.04953	41.5
110.07127	4.8
117.03368	11.6
119.04939	5.6
119.07313	6.3
120.08119	8.1
123.04404	9.4
129.10193	22.7
134.05994	10.6
135.04404	53.1
136.07561	13.3
137.05972	6.1
140.07028	4.4
145.02829	17.5
146.05962	4.5
147.04401	26.6
148.04735	5.6
152.07056	79.7
157.49101	4.4
157.79338	4.3
162.07642	5.0
163.03899	100.0
164.07079	5.2
167.07028	4.1
177.05437	20.6
181.06172	7.0
202.05026	8.8
217.08281	6.6
221.07986	7.9
231.06416	6.7
245.07703	5.7
253.26140	4.4
269.08109	7.2
297.07574	9.8
297.30136	5.0
312.08685	3.8
314.10269	5.1
344.11197	6.6
385.11188	6.2
506.16357	15.7
506.26913	7.4
532.04773	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	506.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.1
55.05511	0.3
56.05031	0.2
57.03433	0.2
69.03418	0.3
69.07073	0.3
70.06587	1.9
71.37711	0.3
72.08144	1.0
81.03404	0.3
81.07069	0.3
84.04493	0.5
84.08141	0.6
85.00809	0.1
85.02891	0.3
86.09696	2.2
89.03909	0.4
90.36481	0.1
91.05482	0.5
93.07031	0.3
94.06567	0.7
95.04954	0.2
105.07073	0.2
107.07360	0.2
109.02861	0.2
110.07157	0.3
110.09650	0.2
117.03384	1.8
119.04958	0.4
120.08096	1.3
121.06511	0.3
122.09663	28.7
123.09977	0.4
129.10219	0.3
130.06577	0.3
131.04977	0.2
135.04404	0.2
136.07520	0.4
137.05960	0.5
138.09154	0.4
141.10258	0.2
145.02846	4.0
147.04408	1.7
149.05989	0.5
150.09137	14.6
151.09962	0.8
161.05995	0.2
163.03958	0.2
164.07127	0.3
166.08670	0.7
168.10196	100.0
169.10567	1.7
172.03963	0.3
177.05466	6.6
200.13974	0.5
201.05344	0.1
210.11237	0.2
228.13414	0.5
244.09671	0.2
260.30215	0.1
321.09708	0.3
325.11111	0.5
330.15750	0.2
339.10715	0.4
353.10962	0.2
432.01074	0.2
506.20248	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	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
55.05489	0.4
56.05021	0.6
58.06594	0.5
59.32526	0.3
60.08162	5.7
67.05487	0.7
69.07045	0.4
70.06548	0.4
71.07369	2.4
71.58409	0.4
79.05495	0.4
81.07033	0.7
83.08632	0.3
86.09702	29.4
87.10057	0.3
93.07019	0.4
95.08590	0.6
98.97958	0.3
98.98464	2.7
104.10741	2.7
109.10138	0.3
124.99997	20.0
143.01073	0.4
184.07333	100.0
195.49254	0.3
222.90625	0.2
279.80948	0.3
334.24658	0.4
488.31195	0.8
506.32581	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	506.2023
Annotation	Isoalangiside
Peak:m/z	Relative Intensity
50.87701	0.2
53.03951	0.2
54.22648	0.2
55.05506	0.7
56.05031	1.0
60.04527	0.7
63.02372	0.4
65.03964	0.2
67.05495	0.5
69.03419	0.4
69.07061	0.7
69.85846	0.9
69.86269	0.4
70.06592	7.0
71.06935	0.3
72.08154	4.0
74.06081	0.5
76.02245	0.6
79.05486	0.3
81.03419	0.3
81.07041	0.3
83.06104	0.7
84.04506	1.7
84.08142	2.8
85.02914	0.9
86.00672	0.2
86.09707	10.0
87.10050	0.3
89.03916	3.9
91.05479	3.5
93.07040	0.5
95.04971	0.5
97.02879	0.3
101.07157	0.6
102.05533	0.6
103.05447	0.5
104.05318	0.4
106.04199	0.4
107.04940	0.3
109.10043	0.2
109.34459	0.2
110.07166	1.4
112.08755	0.3
116.01720	0.5
116.07072	0.4
117.03379	14.0
119.04947	2.6
120.08104	5.1
121.06513	0.3
121.08464	0.4
127.03883	0.2
129.06577	0.2
129.10242	2.0
133.02960	0.3
133.06122	0.3
134.03621	0.8
135.04419	0.8
135.11670	0.3
136.07567	0.9
136.08598	0.2
137.05960	0.9
143.11821	0.3
145.02843	43.1
146.03102	0.2
147.04416	1.6
149.04803	0.4
149.05975	4.9
150.05836	0.5
151.07544	4.3
152.07135	0.2
155.08136	0.5
158.06001	0.4
158.56183	0.2
159.09216	0.4
162.02145	0.4
162.03319	0.2
162.05528	0.3
163.03906	0.6
166.08626	1.1
168.06604	0.2
177.05467	100.0
178.05830	1.3
179.04868	0.4
182.12833	0.5
183.11285	0.5
185.16507	1.1
186.05525	1.2
187.04005	0.3
200.14064	0.2
213.15965	0.7
218.08415	0.2
219.11366	0.2
228.13513	0.3
229.15411	0.4
231.12428	0.3
234.26091	0.2
242.40593	0.2
256.13635	0.5
261.16046	0.3
274.14673	0.3
276.13412	0.6
276.16504	0.3
277.11920	0.4
277.15298	0.2
283.97388	0.2
294.14417	0.3
341.21680	0.3
344.14932	15.8
345.15088	0.3
359.16364	1.8
375.23538	0.3
407.48578	0.2
476.81754	0.3
506.19971	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	506.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05038	0.2
69.03413	0.1
69.81734	0.5
69.82156	0.3
70.06582	0.8
72.08149	0.4
79.05476	0.1
81.03408	0.3
81.07039	0.3
84.04495	0.3
84.08142	0.3
85.02868	0.1
86.09700	1.3
89.03905	0.6
91.05486	0.5
93.07051	0.3
94.06554	0.3
95.08598	0.2
96.08181	0.2
103.05465	0.2
105.07038	0.3
107.04958	0.2
110.07176	0.2
111.20546	0.2
117.03346	1.2
119.04939	0.2
120.08102	1.0
121.06506	0.8
122.09657	26.5
123.09965	0.2
127.26503	0.2
135.04427	0.2
136.07506	0.2
138.09082	0.2
145.02843	3.4
147.04382	0.3
149.05966	0.4
150.09126	15.1
151.09927	0.9
166.08627	0.4
168.10187	100.0
169.10513	0.6
177.05457	4.6
181.05000	0.2
200.13884	0.2
201.05426	0.3
206.36934	0.2
210.10930	0.2
223.83667	0.1
228.13361	0.2
321.09595	0.2
323.09418	0.2
330.15372	0.6
339.10458	0.2
343.11697	0.3
460.17181	0.3
488.17130	0.2
506.19904	1.2
506.36755	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	504.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
55.97390	0.3
57.03430	0.4
57.07080	0.5
58.06596	0.4
60.07888	0.6
60.08161	6.9
67.05495	1.0
70.06564	0.6
71.07374	3.0
71.58003	0.4
79.05515	0.7
81.07062	0.8
85.41050	0.3
86.09705	33.2
91.05449	0.5
93.07037	0.7
95.04989	0.3
95.08583	1.0
97.87392	0.3
98.98466	4.2
102.25102	0.3
104.10732	2.8
107.08605	0.5
125.00003	23.5
131.16147	0.3
138.84152	0.3
147.04446	0.3
184.07338	100.0
185.07637	0.6
186.03818	0.4
244.41129	0.4
295.22574	1.1
332.26572	0.8
351.93463	0.4
435.35388	0.3
486.30035	0.7
504.31140	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	504.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	27.5
67.05496	99.0
69.03416	16.2
69.07069	34.9
69.46139	47.1
69.46552	69.7
69.47338	17.0
70.94081	15.2
79.05492	61.0
81.07056	100.0
83.08606	27.4
85.06548	21.9
91.05457	44.6
93.07062	81.5
95.08601	55.8
98.98462	23.9
105.07027	23.7
107.08582	48.4
109.10169	41.8
119.08559	72.2
120.08742	15.7
121.10140	62.6
123.11707	22.6
131.08559	38.1
133.10144	34.1
135.11694	53.6
136.95274	14.5
145.10081	30.0
147.04445	16.6
147.11632	15.4
149.13283	37.5
159.11743	19.9
173.13315	20.1
184.07394	26.6
215.17966	69.8
233.19055	96.9
307.22818	19.9
409.52032	19.3
471.73306	17.1
499.31506	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	505.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.5
55.05507	7.9
57.03437	15.1
57.07076	2.7
58.44921	2.0
64.18708	1.7
65.03941	2.6
66.86983	1.7
66.92213	2.2
67.05501	43.2
69.07063	5.6
70.77155	5.6
72.67126	1.8
73.02913	3.4
79.05072	2.7
79.05493	27.4
81.07050	31.5
85.19547	1.9
89.38663	2.1
91.05487	18.9
93.07047	24.6
95.04952	4.0
95.08604	26.9
98.98462	78.4
102.65343	1.8
105.07023	14.2
107.08595	11.3
109.10163	14.2
116.99467	2.6
117.07014	3.3
119.08608	11.3
121.10135	8.2
123.11719	5.0
129.05486	19.1
129.06982	2.7
131.08578	5.3
133.10123	8.9
135.07991	2.0
135.11694	6.4
143.08591	3.6
145.10098	3.5
147.11674	7.2
149.13200	4.4
150.70352	2.0
155.01033	13.8
159.11673	3.9
161.13266	4.6
171.11783	2.2
173.02100	21.3
175.14861	4.1
185.13239	2.5
217.19519	3.3
241.19429	8.5
247.05728	2.2
259.20609	7.3
333.24225	100.0
356.83826	1.8
512.87061	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	505.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.27519	0.4
55.01834	0.8
55.05508	4.0
57.03431	2.5
60.31617	0.4
67.05502	12.9
69.07061	3.4
70.06563	0.5
71.04974	0.5
71.60662	0.8
79.05492	5.9
81.07052	15.7
81.07526	0.9
83.04981	0.6
83.08618	3.1
85.02931	0.4
89.03918	4.3
91.05461	3.6
93.07036	6.1
94.64049	0.5
95.04964	1.0
95.07982	0.7
95.08593	12.0
95.86966	0.4
97.06519	1.7
97.10152	1.3
99.07379	0.4
99.08014	0.6
105.07032	2.4
107.04932	1.5
107.08595	4.4
109.10142	5.1
111.08054	1.5
117.03384	4.4
117.06966	0.4
119.08559	2.0
121.10130	4.5
123.11706	2.3
124.41919	0.4
131.08591	1.4
133.10126	3.7
135.04404	13.4
135.11681	3.1
137.05927	0.5
137.09625	0.5
137.13359	0.4
139.11122	0.5
145.02847	11.2
145.03987	0.7
145.10114	1.4
147.11658	1.4
149.13251	1.6
151.11151	1.7
163.03891	100.0
164.04277	1.4
173.13173	0.6
181.04941	12.7
181.06540	0.6
186.05458	0.8
215.17915	2.7
233.19046	2.1
237.07610	1.3
251.20081	3.5
301.05951	0.5
325.23712	15.6
466.50116	0.5
487.26859	0.7
505.27676	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	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.05513	12.3
57.03444	2.7
57.07075	43.6
65.03941	2.0
66.14260	1.8
67.05505	29.7
68.46173	2.4
69.03425	3.3
69.07068	13.6
70.65137	6.4
71.04984	2.6
71.08633	33.1
75.42602	2.0
79.05495	14.5
81.02935	4.7
81.03417	97.5
81.07051	33.2
83.04989	3.2
83.08616	26.9
85.10177	14.3
87.57982	1.7
91.05455	17.0
93.07034	8.8
95.04973	27.2
95.08601	29.8
95.09167	2.0
97.10177	6.2
98.98445	13.3
102.41272	2.3
105.07018	16.6
107.04952	5.8
107.08620	4.9
109.06536	6.1
109.10162	17.4
111.08085	9.9
111.11722	2.0
116.56355	2.0
117.06998	2.9
119.08588	12.5
121.06525	3.7
121.10166	7.4
123.08087	8.4
123.11710	6.4
129.06953	9.8
131.08543	9.9
133.06572	2.3
133.10153	4.6
147.08061	4.4
147.11714	8.0
149.09659	5.2
157.10120	9.6
173.02197	2.7
175.11211	9.2
193.12241	39.2
239.23753	11.6
249.14877	7.1
281.24515	2.1
333.27783	12.9
351.29117	3.4
369.44095	1.9
407.31573	9.8
438.82742	2.0
487.41998	3.2
505.38892	100.0
506.39188	4.4
517.57404	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	505.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	14.1
55.01865	8.7
55.05509	81.8
57.03441	7.4
57.07079	46.9
65.03920	4.8
67.05503	88.7
67.42409	3.1
69.03424	13.0
69.07064	31.2
69.39979	3.0
71.08633	35.7
71.61690	4.6
79.05492	57.7
81.03414	100.0
81.07053	95.8
82.03767	3.6
83.04989	7.0
83.08615	66.6
85.06537	5.6
85.10190	16.8
91.05470	57.8
93.07046	62.7
95.04974	24.9
95.08604	78.9
97.02906	3.6
97.06543	5.1
97.10168	82.7
105.07027	31.9
107.04953	9.1
107.08583	39.1
109.06487	5.8
109.10154	32.5
111.08057	9.8
113.03451	3.6
117.07047	8.2
119.08562	27.1
121.06503	3.6
121.10130	25.9
123.11713	10.0
125.09620	56.2
125.13267	3.6
129.07007	12.5
131.08560	20.4
133.10133	12.9
135.08060	7.5
135.11682	16.5
137.09628	5.6
137.13254	5.3
143.10692	5.4
145.10129	9.1
147.08070	4.2
147.11647	15.8
149.09605	4.0
149.13226	4.1
157.10129	11.2
159.11743	9.6
161.13246	5.3
173.13254	7.7
175.11185	7.4
175.14801	3.6
176.99223	4.6
189.11215	58.3
193.12236	49.5
195.00317	17.2
195.68082	3.5
227.12732	40.5
239.23730	10.8
243.20956	4.2
245.13869	4.2
249.14838	9.6
259.20575	4.7
261.22202	27.2
317.24612	7.8
322.50366	3.3
393.66824	3.3
487.34146	9.1
505.24768	6.4
505.38574	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
53.46372	2.1
54.97014	2.3
55.01865	4.0
55.03668	2.4
55.05513	19.0
57.03430	5.9
57.07078	33.6
63.38128	2.2
67.05505	55.3
69.03424	7.5
69.07062	14.4
70.02927	3.8
71.01339	2.8
71.08628	20.1
71.58738	3.0
71.59158	2.9
73.02909	2.8
78.67204	2.1
79.05489	25.5
81.03416	53.4
81.07054	46.3
83.04994	3.3
83.08610	26.4
85.02869	2.9
85.06503	2.3
85.10172	10.7
91.05481	29.0
93.07035	30.6
95.04957	18.6
95.08599	42.5
96.00850	4.5
97.02889	42.7
97.10152	6.7
98.98462	3.6
99.08105	3.7
105.07023	26.7
107.04939	5.0
107.08598	22.9
109.10160	20.8
111.08078	4.2
113.03487	100.0
113.56297	2.7
115.03909	4.3
117.07010	7.8
119.08582	19.8
121.06566	3.0
121.10131	14.3
123.11685	11.1
129.06999	7.8
131.08540	18.6
133.06468	5.0
133.10132	13.0
135.11719	13.9
145.10114	10.1
147.08084	4.7
147.11667	10.6
149.09459	2.5
149.13237	8.4
151.14839	2.7
157.10130	8.0
159.11642	11.5
161.13264	6.9
163.14861	4.1
166.69221	2.3
168.30420	2.6
171.09451	2.9
171.11726	3.5
173.13243	10.8
175.11217	5.2
175.14795	3.4
176.99231	3.0
179.14342	3.8
185.13303	3.2
187.14806	4.5
193.12227	25.7
195.00307	20.4
227.06772	2.8
239.23656	8.4
243.20988	6.2
249.14757	5.6
259.20685	5.0
261.22083	20.5
271.22223	3.0
275.97900	2.5
277.21637	7.3
303.23184	4.4
315.23132	3.6
319.22900	3.4
329.24536	3.4
333.27631	3.7
339.23233	5.6
357.24313	17.3
375.25229	10.7
393.26303	14.0
407.31650	6.2
487.72650	3.2
505.25540	8.5
505.38986	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.9
55.05502	26.5
67.05489	42.4
69.03416	27.7
69.07060	34.3
70.06582	29.2
70.55289	11.3
70.55630	28.2
72.08147	15.0
79.05501	44.5
81.03402	28.9
81.07059	89.1
83.08617	12.6
84.04494	10.7
84.08134	22.7
85.02916	46.9
86.09693	25.5
87.00808	10.2
91.05459	62.4
93.07040	91.0
95.04958	18.2
95.08600	93.1
97.02860	14.3
98.21472	11.5
105.01916	16.2
105.07022	95.2
107.08583	77.5
109.02895	19.6
109.06511	11.1
109.10161	93.7
119.04945	18.1
119.08556	59.1
120.08119	16.8
121.06496	14.0
121.10130	46.5
123.11701	17.2
127.03909	26.9
131.04941	20.0
133.10120	50.2
135.11681	51.8
136.07538	14.3
137.06036	12.3
145.02821	12.0
145.04938	11.4
145.10095	18.2
147.04424	64.8
147.11685	73.5
153.01840	52.6
161.13251	34.2
167.05521	11.9
167.86433	9.8
171.02917	33.5
177.05467	28.0
193.12271	13.6
203.18010	80.2
221.04460	13.1
221.19061	16.7
224.96159	9.5
249.06369	8.7
257.08044	100.0
269.13354	10.5
450.67099	9.9
455.13446	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73045	12.5
55.05492	16.7
67.05486	38.6
69.03425	13.0
69.07063	26.7
70.01971	51.2
70.06577	33.3
72.08149	14.2
76.84453	11.7
79.05476	22.2
81.03395	12.3
81.07069	76.9
83.08588	14.1
83.23551	11.4
84.08129	14.8
85.02894	50.9
86.09705	24.2
87.00820	12.8
91.05470	31.4
93.07040	69.7
94.93443	13.2
95.08597	57.0
97.02866	22.2
105.07030	46.1
107.08624	55.2
109.10156	100.0
116.27913	12.3
119.08569	44.6
120.08095	16.3
121.10137	27.9
122.51090	10.6
123.11682	14.0
127.03944	26.8
133.10109	30.8
135.11696	39.6
145.04881	15.3
147.04384	40.8
147.11684	49.6
161.13237	19.8
161.20506	10.9
163.14798	12.7
163.97737	12.3
203.17963	59.0
299.06116	14.7
442.06223	11.7
499.93387	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
56.05025	2.0
57.03432	0.9
61.02916	1.1
65.03923	1.3
67.05498	9.3
69.03416	3.2
69.07071	8.0
69.80386	4.8
70.06592	14.1
71.04988	10.9
72.08148	6.1
74.06062	1.7
79.05491	8.1
81.07063	7.1
83.04974	3.0
83.06142	0.9
84.04500	2.8
84.08127	5.0
85.02899	6.9
85.06545	1.2
86.09702	100.0
87.04467	1.4
87.10042	1.3
91.04903	1.7
91.05473	26.7
92.86073	0.9
93.07043	5.7
95.04950	2.2
95.08588	2.2
97.02903	2.4
98.21493	1.8
102.05552	1.3
104.05295	1.7
105.07027	18.9
107.04951	2.9
107.08569	5.5
109.06517	2.0
109.10152	1.1
110.07139	3.0
115.05490	0.9
116.07081	1.0
117.03394	1.5
117.06976	1.6
119.04925	7.0
119.08580	13.1
120.08090	5.1
121.06494	1.7
121.10151	3.3
125.05964	2.2
127.03878	1.1
129.06979	4.1
129.10245	3.6
130.06511	2.3
131.08539	7.8
132.10194	41.1
133.06471	5.2
133.10107	20.1
135.11693	1.9
136.07576	2.3
136.23253	1.0
137.05971	4.2
142.07762	1.9
144.08154	1.1
145.02834	4.3
145.04858	1.0
145.10150	2.5
147.04396	37.8
147.08037	9.6
147.11682	13.3
148.04814	1.4
149.06017	2.0
149.09622	3.3
149.13200	1.4
150.05542	1.2
151.11172	4.5
152.07138	1.0
157.10118	2.1
159.09171	2.5
163.03856	1.8
163.11230	1.7
165.12738	1.2
166.08618	1.1
175.11183	18.3
177.05453	6.9
190.05458	1.1
192.13820	1.7
193.12221	21.2
194.08174	0.9
201.05432	2.4
208.17047	1.2
210.48570	1.0
254.17430	8.3
260.20151	4.9
278.21170	10.3
294.20645	5.4
306.20618	15.6
323.08847	1.8
324.21677	74.3
342.22778	15.8
451.36145	1.0
485.72363	1.0
504.19711	1.2
520.98309	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42046	1.2
55.05497	1.9
56.05030	1.7
67.05499	8.9
69.03425	1.8
69.07052	7.1
70.06583	14.7
70.80275	2.6
71.04990	9.5
72.08159	5.4
74.06083	1.3
77.68481	1.3
79.05492	9.7
81.07059	6.5
83.04964	3.1
84.04516	3.1
84.08145	4.8
85.02927	6.3
85.06542	1.7
86.09702	100.0
87.04477	2.5
91.05471	27.0
93.07042	4.8
95.04958	2.2
97.02907	1.4
105.07036	20.4
107.04960	2.7
107.08575	7.1
115.05491	1.6
117.03392	3.8
117.07040	1.8
119.04934	7.2
119.08582	12.0
120.08110	3.9
121.06501	5.1
121.10139	4.0
125.05968	3.3
129.07019	4.0
129.10251	2.2
131.08563	7.8
132.10191	44.7
132.11177	2.4
133.06477	3.8
133.10110	18.5
136.07603	3.3
137.05948	2.8
145.02834	7.9
145.10176	2.6
147.04402	30.0
147.08064	8.9
147.11661	13.1
148.04785	1.4
149.09653	4.3
149.13263	2.4
151.11223	4.1
157.10097	3.1
158.08191	1.3
162.05505	1.7
163.03885	1.9
173.05983	1.9
175.11183	18.4
177.05464	18.1
190.07828	1.2
191.07048	2.5
192.13875	1.9
193.12225	22.1
201.05295	22.2
201.26721	1.5
202.05910	1.5
208.17117	1.5
217.08614	2.9
221.09648	2.5
234.06689	3.1
235.07498	5.3
248.04939	1.8
249.09106	6.7
251.07062	1.9
254.17574	5.7
260.20175	6.1
263.07028	5.3
263.14090	1.6
264.07767	2.0
265.05133	1.4
266.09390	2.3
277.08615	11.9
278.09018	2.1
278.21167	10.8
280.07330	1.4
281.11749	3.3
294.20743	4.3
306.20599	14.5
309.11310	7.9
323.09122	15.6
324.21686	74.0
326.11447	4.5
341.13779	4.3
342.13419	3.0
342.22751	13.0
362.10043	2.3
383.56354	1.5
463.18298	1.5
504.18909	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	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04218	0.3
55.01854	0.4
55.05508	3.2
57.03410	0.4
59.04983	0.5
61.02922	0.9
62.06085	0.5
67.05493	0.8
69.03431	3.5
69.07065	0.9
70.06580	1.3
70.91287	0.8
71.04975	0.5
71.08632	5.2
72.08146	1.8
73.02925	0.8
76.02184	0.4
79.05495	0.6
81.03410	1.3
81.07040	1.5
83.04982	2.7
83.08597	0.8
84.04513	0.5
84.08138	1.4
85.02905	4.5
86.06062	4.7
86.09706	1.5
87.04449	0.7
91.05477	1.1
93.07037	1.4
93.22408	0.3
95.04964	0.7
95.08596	1.5
96.08118	2.4
97.02895	1.9
98.06052	0.5
98.09680	2.8
99.04461	0.6
99.08098	2.5
100.11277	0.4
101.06021	3.7
105.07038	0.7
107.04961	0.4
107.08586	0.8
108.08078	1.1
109.02863	0.8
109.06498	0.4
109.10149	0.8
110.09629	0.4
111.04443	2.9
113.08372	0.6
114.09179	0.4
116.10728	16.2
119.04927	0.8
119.08576	0.6
120.08080	0.7
121.06467	0.6
122.09657	1.3
124.07578	0.4
127.03947	1.7
128.17076	0.3
129.05478	2.8
133.10081	0.4
136.07614	0.4
136.11189	0.4
137.06003	0.7
140.10696	0.8
142.08636	1.0
143.10635	1.9
145.02817	0.5
145.04915	0.7
147.04440	2.9
147.06511	2.9
154.15877	2.9
155.07031	0.4
160.24725	0.3
162.12839	0.3
164.14365	0.4
166.15901	2.3
168.17453	0.8
171.81323	0.3
173.08090	0.9
177.05475	1.3
178.15910	1.3
179.04756	0.4
181.04903	0.3
190.12126	0.4
194.08191	0.4
196.16965	6.2
208.13304	0.4
211.91293	0.3
214.18010	100.0
215.18280	1.1
226.14360	2.9
230.68388	0.3
234.06740	0.9
244.15434	9.2
249.09114	1.0
261.13300	0.3
264.82559	0.3
273.09567	0.4
277.08646	1.9
281.11670	0.7
291.10574	0.4
295.09851	0.4
309.11148	1.0
324.21680	0.4
326.10995	0.4
341.13840	0.8
342.22736	8.8
351.08530	0.4
376.23300	14.3
377.23819	0.4
388.19308	0.3
406.20557	1.9
504.17444	0.4
504.21158	0.3
504.28345	3.4
504.35544	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	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39896	0.7
53.03933	1.6
55.05499	3.2
56.05016	0.9
57.03433	1.0
61.02912	1.5
62.06089	0.9
67.05480	1.8
69.03427	5.4
69.07065	0.8
69.81790	4.7
70.06594	4.6
71.08302	0.8
71.08631	9.5
71.68330	0.7
72.08136	2.8
73.02875	0.8
79.05501	1.4
81.03394	2.1
81.07046	3.0
83.04980	3.5
84.08149	1.9
85.02908	6.4
86.06062	15.7
86.09692	2.1
91.05483	2.7
93.07024	2.5
95.04948	0.9
95.08593	2.7
96.08128	4.1
97.02872	2.9
98.06071	0.8
98.09689	8.7
99.08094	8.7
101.05996	3.3
103.05473	0.8
105.07030	1.6
107.08570	1.9
108.08115	1.0
109.02840	1.2
109.06508	1.0
109.10188	1.2
110.32854	0.8
111.03841	0.7
111.04455	5.7
114.71782	0.7
116.10732	24.6
117.03348	0.8
119.04938	2.7
119.08595	3.8
121.06520	1.3
121.10112	1.0
121.53942	0.7
122.09689	0.8
123.11640	0.8
124.07594	1.7
126.33313	0.7
127.03913	2.7
129.05466	1.5
131.08571	1.1
133.10114	1.3
137.05978	1.9
137.09589	1.5
138.09120	0.9
142.08630	8.9
142.12254	1.8
143.10651	3.8
145.02814	1.9
145.04930	1.4
147.04427	10.5
147.11636	1.4
149.30460	0.8
149.49037	0.7
155.06967	1.5
164.10724	5.2
167.05557	0.8
173.08133	1.4
177.05464	3.3
178.12233	0.8
180.13892	1.3
182.15419	3.6
182.81392	0.8
190.12233	2.5
198.14906	2.3
201.05423	1.1
208.13318	8.3
214.17969	7.4
226.14378	33.3
244.15445	100.0
245.15591	1.1
261.13327	2.3
277.08514	1.3
319.66232	0.8
323.10077	1.2
324.21655	1.9
342.22781	19.3
388.19641	1.9
406.20749	11.5
504.17377	1.3
504.25488	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	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.05503	9.6
55.81192	2.2
63.18641	2.4
67.05502	18.5
69.03423	7.0
69.07068	29.2
70.01797	12.0
70.02161	4.3
70.06594	7.5
71.04989	19.1
79.05492	21.6
81.03408	6.6
81.07050	94.4
83.08626	5.3
84.08141	3.1
85.02899	13.4
86.09694	5.0
87.00826	3.6
87.76392	2.3
91.05444	24.2
93.07039	45.8
95.04980	4.7
95.08605	47.6
97.02890	8.1
97.06533	2.8
97.10172	3.9
98.21491	3.1
99.08089	4.9
105.01844	15.8
105.07024	75.7
107.08586	54.8
109.02854	2.6
109.06509	2.7
109.10153	43.5
113.09661	2.7
117.07015	6.1
119.08578	100.0
120.08106	4.5
121.10159	16.1
123.11699	23.4
127.03903	14.5
127.11192	19.3
129.10219	3.0
133.10126	48.2
135.11679	76.7
139.11200	4.6
145.04968	6.4
145.10095	4.6
147.04422	5.8
147.11679	54.4
149.13226	5.6
151.11220	4.6
153.12691	13.7
159.93542	2.2
161.13266	21.2
163.14804	5.5
175.14778	6.1
177.16379	2.6
187.10965	2.2
203.17957	92.7
204.18315	2.3
221.19012	39.2
231.05031	3.8
238.21695	2.5
249.06076	4.2
301.39090	2.2
311.19788	3.0
315.92770	2.1
430.44983	2.4
433.21402	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	504.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
56.00254	0.2
57.03420	0.4
60.35895	0.2
61.02919	0.6
62.91766	0.2
63.02365	0.4
65.03934	1.0
68.78413	0.2
69.03428	2.3
70.06597	0.3
70.37066	0.9
81.03406	1.1
81.67125	0.2
81.81495	0.2
85.02901	5.7
86.09704	0.5
89.03909	3.6
91.05475	8.4
97.02880	1.7
99.04493	0.3
109.02885	0.8
115.05441	1.3
117.02670	0.2
117.03370	12.7
119.04934	18.6
127.03876	1.1
129.10196	0.2
132.04503	0.4
134.03619	0.8
134.28806	0.2
135.04420	0.7
137.05975	0.9
143.04936	1.1
144.05672	0.3
145.02837	36.8
146.03201	0.5
147.04396	100.0
148.04749	1.4
149.05969	4.4
150.05585	1.1
151.03873	1.0
158.06030	0.2
160.04045	0.3
160.05174	1.6
161.06006	0.2
163.03818	0.3
166.08630	0.2
175.07545	5.6
177.05455	68.0
178.05899	0.5
186.05496	0.6
192.06538	0.5
196.06041	0.8
206.07938	0.4
218.08095	9.9
252.80617	0.2
342.09598	3.5
342.13300	11.0
343.13547	0.4
459.24887	0.2
504.19116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16763	0.2
53.03956	0.2
55.05508	0.3
56.05034	0.5
57.03435	0.3
60.04515	0.4
61.02925	0.2
63.02383	0.6
65.03941	0.6
69.03425	0.7
69.07059	0.2
69.40815	0.8
69.41244	0.9
70.06590	3.9
72.08149	2.5
74.06074	0.9
74.55786	0.2
77.46652	0.2
78.04713	0.2
81.03410	0.4
83.06079	0.2
84.04505	1.2
84.08142	1.9
85.02894	1.6
86.09707	5.7
87.10068	0.2
88.03996	0.3
89.03912	5.0
91.05479	3.6
93.07033	0.2
97.02891	0.6
100.52435	0.2
101.07128	0.3
102.05553	0.4
103.05442	0.5
106.04147	0.4
107.04935	0.2
109.02909	0.2
110.07169	0.4
115.05450	1.9
115.08651	0.2
116.07059	0.4
117.03376	20.0
117.07025	0.4
119.04938	7.0
119.05796	0.4
120.08077	0.9
121.06509	0.5
127.03908	0.5
129.10196	1.0
130.05028	0.2
131.04892	0.2
132.04437	0.4
132.10205	0.2
134.03622	1.3
134.06018	0.2
135.04385	1.4
136.07588	0.5
137.05992	1.9
143.04936	1.1
143.11797	0.4
144.05702	0.3
145.02838	54.7
146.03186	0.6
147.04402	31.4
148.04761	0.5
149.04785	0.4
149.05972	6.9
150.05507	0.6
151.03909	1.1
152.07042	0.4
155.08179	0.2
157.13306	0.3
158.06006	0.3
159.09143	0.2
159.11308	0.3
160.03944	0.3
160.05177	2.2
162.03110	0.2
163.03928	0.6
166.08659	0.5
171.11290	0.2
173.12814	0.7
175.07545	7.9
176.07857	0.3
177.05461	100.0
178.05879	1.5
179.05910	0.2
183.11342	0.2
185.09137	0.2
186.05478	1.6
187.10706	0.2
192.06470	0.4
201.12354	0.8
202.05000	1.1
203.10277	0.4
206.08130	0.5
215.58147	0.2
218.08112	13.8
229.15208	0.2
244.13124	0.7
258.14313	0.2
296.09204	0.2
342.09772	1.4
342.13339	18.6
343.13571	0.3
381.49915	0.2
504.18903	1.2
504.30881	0.2
531.69061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61916	1.4
53.96512	1.4
55.05503	3.8
56.05037	1.9
57.84719	1.5
60.04511	1.8
66.62789	1.3
70.02936	5.3
70.06573	6.7
71.56615	1.5
71.57040	2.3
72.08156	21.2
76.26453	1.6
76.50450	1.6
83.06087	5.6
84.04506	17.3
84.08134	4.9
85.02860	1.6
86.09703	100.0
88.03991	15.6
90.05547	4.3
90.61240	1.7
91.05816	2.5
96.04485	1.9
98.02386	2.0
101.07115	2.6
102.05514	5.9
118.58273	1.6
119.04946	3.0
122.06032	2.5
124.03934	3.1
125.64931	1.5
129.10197	2.4
140.03464	1.7
141.06578	2.7
143.04483	2.8
144.06592	3.7
145.02866	3.2
147.04402	17.8
148.06004	5.3
150.05475	2.0
152.06992	2.5
157.13356	46.5
159.07646	4.2
161.09149	3.0
166.29103	1.7
167.04344	2.4
167.05634	2.0
167.08156	3.7
170.04454	2.2
177.05406	5.1
183.14992	1.8
185.05566	14.8
185.12849	29.1
187.07050	2.6
195.07620	3.2
203.06628	9.4
205.08174	4.0
212.10258	5.1
213.08784	1.9
229.11783	3.2
230.11458	3.1
231.06131	24.2
240.09746	4.5
241.08269	2.7
247.12794	2.9
258.10904	3.2
284.08917	1.9
299.05908	2.2
300.06076	2.2
300.15463	10.7
302.09790	5.0
312.08569	2.4
320.10971	11.6
339.16760	2.2
344.14630	2.1
345.97733	2.2
415.18179	6.3
486.21872	3.5
504.28049	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	503.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.05511	37.2
57.03445	3.7
57.07074	13.4
65.03928	3.9
67.05502	35.5
69.03436	2.3
69.07066	40.2
70.71865	3.2
70.72240	3.3
71.05002	3.9
71.08641	9.3
79.05496	23.2
81.02931	3.6
81.03416	75.7
81.07056	46.1
83.04998	3.2
83.08614	43.8
85.06561	3.4
85.10207	2.7
91.05452	22.7
93.07045	19.1
95.04965	18.7
95.08591	10.7
97.10169	25.6
98.98409	1.9
105.07027	17.9
107.04974	2.3
107.08566	8.4
109.06509	3.7
109.10168	4.6
111.08101	6.7
111.11688	9.7
114.93698	1.7
115.05436	2.3
117.07016	3.4
119.08582	14.5
121.10129	12.3
123.08102	3.0
123.11736	5.5
125.13258	1.6
129.06999	9.2
131.08566	11.8
133.10132	8.4
135.11734	4.9
137.09682	2.0
138.03877	2.0
142.07791	2.0
145.10161	5.0
147.11678	9.1
149.09616	3.4
157.10130	4.0
159.11685	2.8
161.13307	1.8
175.11205	8.5
193.12248	27.6
249.15018	5.3
299.06174	1.7
331.26288	3.9
405.30353	2.8
503.37469	100.0
504.37625	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	504.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77218	0.3
55.05510	2.1
56.05026	0.6
60.04527	3.9
61.02924	0.6
65.03934	0.9
69.03436	2.1
69.06800	0.3
69.07069	3.5
70.02958	0.9
70.06588	6.0
71.51015	0.4
71.51398	0.4
72.08154	21.5
74.06078	0.8
81.03419	1.1
83.06107	0.7
84.04505	2.6
84.08145	3.7
85.02904	4.3
85.04040	0.7
85.17236	0.3
86.09705	25.9
87.05589	2.9
88.03990	5.3
89.03926	1.3
91.05463	8.0
92.05750	0.3
96.08133	2.0
97.02883	1.0
98.02402	1.4
98.06057	0.3
99.05505	0.4
101.07132	0.4
102.05544	0.4
107.04960	0.5
109.02878	0.6
110.07169	1.0
110.09730	0.5
113.10760	0.7
114.09163	2.9
117.03369	4.0
119.04944	21.9
120.05295	0.6
120.08127	2.1
120.08868	0.4
122.06015	0.6
123.04436	0.5
123.05529	1.2
124.07568	0.6
127.03911	0.7
129.10245	2.0
130.05016	0.6
132.04478	0.6
132.10158	0.4
133.06058	0.4
134.06044	0.5
135.04407	1.1
136.06145	0.5
136.07587	1.0
137.06007	1.2
138.08139	0.3
138.09163	1.3
140.07094	0.7
141.10223	4.1
142.08701	0.5
143.04909	0.4
143.11829	0.4
144.06590	0.6
145.02853	11.0
145.04951	0.5
146.03331	0.4
147.04407	100.0
148.04817	3.1
148.05908	0.6
149.05983	1.5
150.05481	2.7
151.03893	0.5
151.06337	0.4
155.11829	0.6
156.10193	6.1
156.11377	0.6
157.09718	0.4
159.11288	17.5
160.05159	0.6
163.03911	1.0
164.44926	0.4
166.08633	1.6
169.09737	0.4
171.04335	0.3
175.07550	1.8
176.07063	0.3
177.05467	22.4
180.10136	0.4
183.11327	2.6
184.09709	1.2
187.10774	12.4
189.12354	3.7
192.06680	0.4
196.06096	0.7
201.12340	34.4
202.05022	1.9
210.12321	0.5
211.10771	0.4
218.08098	2.9
229.11838	9.9
254.14981	0.4
263.10101	0.4
276.15564	4.3
280.13080	0.4
288.15436	0.5
298.13980	14.8
310.17773	0.5
312.08636	1.3
316.15039	5.8
317.43597	0.4
342.09698	4.4
342.13431	2.7
352.18414	0.4
369.21304	1.5
397.20779	6.9
415.21780	0.7
417.67435	0.4
504.13531	0.4
530.26471	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	503.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48324	1.1
55.01878	3.3
55.05510	8.1
57.03424	5.1
57.07052	4.1
59.53240	1.4
63.04865	1.3
65.03933	1.6
67.05503	15.8
69.07065	10.3
70.06567	1.8
71.04984	2.7
71.08617	6.4
71.58332	2.1
75.04472	1.7
79.05491	7.3
81.06601	1.8
81.07059	20.0
83.04982	2.0
83.08606	4.9
85.06537	1.9
86.09700	2.2
91.05476	4.8
93.07037	11.4
95.08611	16.7
97.06533	2.3
98.98466	72.9
99.08073	2.1
105.07021	10.7
107.08615	13.8
109.06516	17.5
109.10160	7.2
116.99508	3.7
119.08558	14.3
121.06474	1.6
121.10141	8.0
123.08067	33.6
123.11681	3.6
131.08562	4.6
133.10106	10.5
135.08043	21.0
135.11681	3.0
137.09656	2.4
145.10121	5.2
147.11699	6.7
149.09631	6.0
149.13193	2.7
159.11674	4.8
161.09644	3.1
161.13275	1.9
162.03040	1.8
165.12759	2.6
167.14388	1.8
173.02106	9.7
173.13219	2.7
175.14812	7.2
177.12711	7.3
179.14316	46.7
191.91010	1.6
193.04886	1.5
193.15891	1.7
205.15904	8.3
217.33199	1.3
219.17497	1.7
233.19017	1.9
247.20509	2.9
263.20032	1.9
275.20126	3.9
289.21573	4.9
293.21100	2.1
299.06195	3.3
303.26874	6.5
331.26297	100.0
332.26453	2.7
337.12036	1.5
343.64029	1.7
349.27405	12.9
387.28995	5.1
405.30014	54.3
406.30063	1.7
485.26263	2.1
503.27460	19.1
503.33374	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	504.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.3
61.02905	0.5
64.38348	0.2
65.03925	0.9
65.40468	0.2
68.81004	0.2
69.03432	1.8
70.06577	0.3
70.71198	0.2
81.03398	0.7
84.04481	0.2
85.02903	3.4
86.09710	0.3
91.05476	8.5
97.02888	0.9
98.21626	0.4
99.04461	0.3
108.88972	0.2
109.02821	0.4
119.04938	23.4
120.08106	0.5
127.03944	0.4
132.04445	0.7
145.04900	0.3
147.04401	100.0
148.04744	0.9
150.05481	1.3
165.05513	0.2
168.70300	0.2
178.04906	0.5
196.06087	0.9
291.08755	0.3
342.09723	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	504.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
53.03942	0.4
57.03424	0.4
60.00951	0.1
61.02927	0.5
63.02372	0.2
65.03946	0.7
67.47858	0.1
69.03427	1.6
69.07108	0.2
70.06597	1.2
70.64458	0.5
72.08160	0.6
73.02903	0.3
75.30045	0.2
81.03413	0.6
84.04500	0.4
84.08144	0.6
85.02898	4.4
85.03387	0.3
86.09707	1.3
89.03908	1.3
91.05474	7.8
97.02895	1.5
99.04473	0.2
109.02861	0.6
109.78030	0.2
113.07058	0.2
114.39188	0.2
115.05443	0.5
117.03372	4.5
119.04934	18.3
120.05229	0.4
120.08112	0.2
124.62447	0.2
127.03908	0.8
129.10223	0.5
132.04468	0.3
134.03610	0.3
134.05933	0.2
135.04410	0.5
137.05945	0.6
142.69409	0.2
143.04901	0.4
144.05690	0.2
145.02841	13.7
145.04764	0.3
147.04398	100.0
148.04768	0.9
149.05965	1.5
150.05504	1.1
151.03889	0.4
160.05188	0.7
171.11095	0.2
175.07529	2.5
177.05458	26.5
177.63416	0.2
178.05008	0.7
186.05403	0.3
192.06488	0.2
196.05994	0.8
201.16661	0.2
202.04932	0.6
206.08240	0.2
218.08102	3.9
282.07358	0.2
296.09048	0.3
300.99213	0.2
342.09573	3.0
342.13321	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	503.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.7
57.03424	5.7
57.07058	3.3
58.03998	1.2
65.03947	1.7
67.05507	14.5
69.07057	9.6
70.21622	1.3
71.08640	7.3
71.51730	3.0
75.04491	1.9
79.05482	10.1
81.07048	22.7
83.04972	3.3
83.08603	5.1
85.06544	2.4
91.05470	4.7
93.07047	11.3
95.04964	2.7
95.08604	13.4
97.06536	3.2
98.98461	72.9
99.08112	1.7
105.07032	9.5
107.08580	13.2
109.06507	15.3
109.10150	5.8
111.08070	1.8
116.99489	2.5
117.07001	2.0
119.08576	11.9
121.06487	2.5
121.10158	7.1
122.07310	2.2
123.07230	2.2
123.08065	33.4
123.11674	3.7
131.08574	3.5
133.10120	11.3
135.08046	21.5
135.11673	4.5
137.09549	2.0
145.10104	4.9
147.11682	5.6
149.09612	5.1
149.13260	2.5
155.01144	2.2
157.10139	3.3
159.11649	4.2
161.09578	4.1
161.13261	2.5
163.11237	1.6
165.12706	2.0
167.05510	2.6
167.14200	1.5
173.02098	12.9
173.13229	1.8
175.14819	5.9
177.12729	8.7
177.16292	1.5
179.14290	47.1
191.14275	3.8
205.15811	8.9
233.18867	2.6
247.20604	2.1
263.20047	3.3
275.20163	4.1
289.21625	5.4
293.21008	2.1
299.06161	2.8
303.26654	8.3
319.22659	1.8
331.26297	100.0
332.26636	2.9
349.27390	15.5
369.27829	2.3
387.28891	5.3
403.37634	1.3
405.29984	50.8
423.30954	2.4
441.23422	1.4
464.71793	1.5
485.26028	3.5
503.27600	21.1
504.28064	2.3
513.53522	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	503.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05515	15.1
57.03421	3.3
57.07068	5.8
67.05500	15.3
69.03412	2.9
69.07066	18.5
70.64832	2.9
71.04995	1.9
71.08627	7.7
75.04459	1.4
75.05342	0.8
79.05486	10.0
81.03413	13.0
81.06602	1.3
81.07057	20.7
83.04977	1.7
83.08624	9.5
85.06537	2.5
85.10165	1.6
91.05461	9.6
93.07040	12.9
93.66537	0.9
95.04977	4.8
95.08603	14.5
97.05993	0.9
97.06492	4.6
97.10149	4.6
98.98462	70.5
99.08092	2.1
105.07038	14.4
107.04954	2.2
107.08593	13.3
109.06506	14.2
109.10149	5.9
109.63968	1.1
110.97377	1.0
111.08081	2.9
111.11715	2.3
116.99509	1.5
117.06985	2.6
119.08578	14.3
121.10145	7.4
123.08060	28.8
123.11687	3.4
125.09595	1.3
129.06993	2.2
131.08553	6.0
133.06424	1.3
133.10109	7.8
133.57123	1.1
135.08055	18.3
135.11682	3.7
137.09581	2.5
140.01028	1.5
143.08528	1.4
145.10107	5.7
147.11687	6.7
149.09601	4.1
149.13254	2.0
151.14687	1.0
157.10129	2.4
159.11688	4.4
161.09634	2.4
161.13261	3.0
163.11234	1.6
163.14809	1.1
165.12787	2.6
167.14380	2.7
173.02121	11.6
173.13222	2.5
175.11191	2.9
175.14821	6.6
177.11430	1.0
177.12770	5.5
179.14305	40.3
180.14499	1.1
191.14310	3.0
191.98509	1.1
193.12222	5.8
193.15865	1.5
205.15834	8.9
228.21043	1.3
231.15984	1.4
233.18932	2.8
247.20543	2.6
263.20032	3.1
275.20065	4.3
289.21686	6.0
293.21033	2.4
303.26709	8.2
313.25293	1.5
331.26297	100.0
332.26645	3.2
347.25735	1.3
349.27341	14.7
357.27841	1.4
362.07486	1.1
375.29047	1.9
387.28882	5.2
405.29977	58.7
406.30054	2.0
423.30981	3.5
424.99484	1.1
425.05237	1.1
485.26428	2.8
503.27570	22.4
503.36841	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	503.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
54.41597	0.8
55.01853	2.4
55.05488	1.4
56.05030	1.7
57.03423	3.3
59.92982	0.7
60.04515	1.7
61.02922	4.0
65.03922	0.9
69.03427	21.8
69.07041	0.9
70.06581	15.8
71.04998	5.6
72.08146	13.0
74.06065	3.8
81.03413	23.3
83.06064	0.8
84.04501	6.9
84.08134	10.4
85.02900	21.4
85.08504	0.9
86.09696	17.8
87.04461	1.2
87.05592	1.6
89.03883	0.8
91.05400	6.1
97.02885	8.4
99.04456	7.6
101.07140	1.1
102.05511	1.7
106.06537	1.1
107.04945	0.8
109.02861	3.1
110.07151	3.9
115.08635	1.2
116.07085	1.6
117.03395	2.3
117.05511	1.1
119.04926	16.6
120.08086	3.1
120.71524	0.8
127.03915	4.8
129.10226	6.6
130.04974	2.1
131.04897	0.8
132.04488	0.9
133.07588	2.9
135.04440	0.9
136.07581	5.4
137.05954	1.9
141.10219	1.5
143.11800	1.6
144.06581	1.4
145.02834	7.4
145.04935	2.9
146.03203	0.9
147.04396	71.3
148.05981	1.4
149.06001	1.9
150.05464	2.4
152.07040	3.2
160.07549	0.9
161.07069	6.4
161.09325	0.9
162.05521	1.5
163.03864	1.4
163.08672	5.1
164.07063	1.2
165.05542	1.1
166.77434	0.8
167.05551	2.1
175.03815	0.8
177.05463	14.6
178.05814	1.5
178.07263	1.0
179.03310	1.0
179.06000	1.8
179.08047	1.4
189.06635	5.7
189.09099	1.0
191.08113	5.1
193.09676	1.2
201.12395	1.2
202.04979	2.1
206.06935	1.1
207.07631	100.0
208.07872	2.0
218.08000	1.4
219.07701	0.9
221.09192	1.3
242.02005	0.9
249.08730	2.5
285.15442	1.5
299.06149	3.3
305.11212	2.4
323.12357	31.1
324.12735	1.1
341.13409	86.5
342.09613	2.8
342.13608	4.1
344.97803	1.3
503.29004	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	502.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.9
67.05492	18.6
69.03397	4.8
69.07066	8.9
70.06580	7.6
71.04972	5.8
71.58213	4.5
79.05498	21.7
81.07048	56.7
83.04970	6.6
83.08600	8.6
84.08160	4.5
91.05482	15.3
93.07037	14.5
95.04991	10.4
95.08593	15.9
97.06514	4.2
105.07034	23.3
107.04916	6.2
107.08560	13.5
109.06510	22.6
109.10165	5.9
110.45158	4.1
116.87748	4.1
117.06983	8.9
119.08588	17.7
121.10149	9.0
123.11749	4.5
129.01875	4.2
129.10147	4.4
131.08537	11.7
133.06476	5.2
133.10127	15.1
135.08023	6.9
135.11668	4.2
139.00293	3.8
145.10118	9.6
147.11673	11.7
149.09641	7.3
159.11716	4.5
163.11157	14.3
165.12785	4.6
202.13681	4.2
211.32455	4.6
223.13313	6.2
239.18002	4.7
257.18964	14.8
275.20056	100.0
293.21130	49.1
449.21515	17.7
474.52618	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	502.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	14.5
53.34306	2.6
55.01867	12.5
55.05504	8.5
57.03424	10.5
59.95318	2.5
61.02915	7.6
62.32530	2.6
67.05502	19.5
68.99784	4.1
69.03427	37.7
69.07064	9.1
70.06583	12.6
71.04984	9.3
71.51243	2.4
72.08152	3.8
73.02904	9.5
73.04768	3.4
74.66214	2.4
79.05498	22.2
81.03419	44.5
81.07056	39.3
81.75368	2.8
83.01332	2.3
84.04505	6.5
84.08125	8.0
85.02901	100.0
85.06525	3.1
86.09705	23.6
87.00822	36.6
91.03963	4.9
91.05462	32.3
92.05753	3.0
93.07039	33.3
95.04952	7.7
95.08603	32.6
95.11060	2.5
97.02887	42.1
97.06522	4.9
97.10172	3.5
99.04469	20.3
102.05585	2.9
105.01852	40.1
105.07028	61.3
107.08592	43.4
109.02869	44.3
109.06474	3.9
109.10123	20.2
111.08128	2.8
115.03908	2.7
115.05470	3.2
117.01814	3.9
117.03366	4.9
117.07024	17.1
119.04930	2.5
119.08597	30.0
120.08118	2.2
121.06509	5.0
121.10131	24.1
123.11693	5.4
127.03909	92.4
129.01826	4.5
129.06967	3.2
130.07732	4.6
131.08562	40.8
133.10129	19.7
134.00539	2.4
135.11679	12.7
136.07587	2.6
137.06003	4.1
143.08557	7.9
144.09349	3.3
145.02916	5.8
145.04953	40.2
145.10114	79.1
146.03215	4.8
147.02867	7.1
147.11710	14.3
155.95245	2.5
157.10159	5.1
159.02890	36.1
159.09279	3.2
159.11694	33.1
161.13277	10.8
163.11191	8.2
167.07051	2.2
169.09950	2.7
170.06113	2.4
173.13242	12.8
175.14835	9.8
177.04025	3.9
177.05418	16.3
177.16367	2.8
178.05815	7.0
191.18016	3.3
199.14841	3.7
201.16379	73.3
203.17963	9.7
209.72067	2.5
213.03894	4.8
213.16476	4.0
214.18033	7.2
215.14032	2.5
219.17389	16.1
223.18831	3.0
231.04959	18.0
243.13333	2.8
249.06093	5.3
340.21207	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	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84668	3.2
55.01849	3.9
55.05507	17.6
63.48250	2.9
67.05508	19.1
69.07046	10.0
70.91084	6.9
79.05493	17.6
81.03390	7.9
81.07038	22.7
83.08620	19.6
86.09688	3.4
91.05468	21.6
93.07038	18.8
94.77782	3.4
95.04964	41.4
95.08590	17.1
97.06552	3.8
97.10162	3.5
105.07031	20.1
107.04961	9.6
107.08587	9.3
109.06523	4.1
109.10132	7.9
111.08075	3.7
117.07008	11.5
119.08581	20.6
121.06486	6.9
121.10178	6.1
125.09605	8.5
129.01843	6.1
131.08559	11.1
133.10089	16.1
135.11639	7.2
137.05972	3.6
143.08586	4.5
145.10133	18.2
147.11678	10.9
149.09576	19.9
152.07059	3.8
159.11667	8.7
163.11185	23.8
165.12767	5.6
169.10066	4.1
173.09631	5.7
189.11206	9.0
219.13698	4.5
223.13255	39.3
239.17928	10.0
257.18951	13.2
275.20081	100.0
283.24200	3.6
293.21069	50.9
350.13766	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	501.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01852	3.4
55.05507	29.4
57.03166	1.7
57.03434	26.5
57.07073	12.5
57.49391	1.2
61.02922	67.3
67.05498	36.6
67.27928	1.1
69.03423	30.9
69.07060	41.9
70.20348	1.5
70.20689	4.4
71.01343	4.7
71.04984	3.5
71.08615	8.2
73.02511	2.2
73.02910	32.2
75.04477	2.3
79.05486	15.1
79.19253	1.1
81.03410	19.1
81.07048	40.1
83.04964	4.6
83.08614	33.0
84.44171	1.2
85.02899	66.7
85.06545	2.4
85.10172	2.4
87.04456	3.5
91.03947	40.5
91.05485	3.8
91.83318	1.2
93.07037	19.3
95.04969	2.7
95.07989	2.0
95.08596	38.2
97.02883	55.6
97.06512	6.2
97.10161	21.0
99.04428	8.4
100.87936	1.2
101.02364	14.1
103.03928	9.4
105.06990	1.9
107.08584	14.5
109.02856	12.2
109.10149	19.1
111.04425	2.3
111.08079	3.2
111.11702	5.7
115.03910	5.2
117.05466	3.3
121.10127	23.8
122.10707	1.3
123.11687	6.5
125.09638	1.9
125.13229	1.2
127.03906	22.3
129.05472	4.5
135.11665	16.9
137.13257	3.3
139.11137	2.7
145.04962	9.2
145.10158	1.4
149.13232	8.4
151.14830	2.7
153.12703	2.2
159.06400	2.4
162.04660	1.1
163.14815	3.7
165.16399	3.3
177.16405	1.5
183.06554	4.8
201.07584	5.1
219.08449	1.6
247.24187	13.2
259.88089	1.3
265.25238	34.2
323.29300	2.2
339.28903	100.0
340.29303	3.3
367.28226	3.3
373.27414	2.5
409.29880	1.7
447.30911	2.9
465.32083	1.9
483.33347	6.2
501.34299	19.9
512.50415	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	501.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62170	0.2
53.03938	0.3
56.05040	0.2
57.42022	0.2
60.93668	0.2
61.02924	0.3
62.85350	0.2
63.02375	0.4
69.03427	2.6
69.81116	0.6
69.81524	0.5
70.06587	1.5
71.04967	0.3
72.08140	0.5
81.03406	0.6
84.08140	0.9
85.02908	2.7
86.09675	1.1
89.03914	4.8
91.05495	0.3
97.02858	1.1
98.20819	0.3
103.05521	0.3
106.04154	0.4
109.02866	0.3
117.03374	16.5
127.03885	1.7
129.10240	0.8
134.03609	1.3
135.04390	1.4
136.07576	0.2
137.05925	0.3
145.02838	43.4
146.03209	0.5
149.05963	5.8
151.07515	0.2
162.03101	0.3
163.03871	0.7
177.05461	100.0
178.05823	1.7
186.05403	0.7
195.06439	1.2
281.32568	0.2
321.09695	1.3
339.10770	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	501.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.01873	0.2
63.02365	0.3
69.03428	2.6
69.27679	2.5
70.06573	0.7
78.04723	0.3
79.84382	0.2
81.03428	0.6
81.29120	0.2
84.08149	0.4
85.02907	3.0
86.09708	1.5
89.03910	5.9
97.02890	1.1
99.23709	0.3
106.04168	0.7
109.02855	0.5
117.03373	14.5
120.28213	0.3
127.03933	1.1
129.10185	0.4
134.03609	1.2
135.04413	0.9
143.11771	0.4
145.02837	43.0
146.03223	0.4
149.05978	5.6
163.03833	0.4
177.05460	100.0
178.05794	0.8
186.05492	1.3
195.06512	1.3
321.09604	1.1
323.49054	0.3
339.10660	1.2
403.45105	0.3
501.15753	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	501.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01861	0.4
55.05512	0.4
56.05022	0.3
57.03423	0.6
59.74973	0.2
60.04532	0.2
61.02908	0.5
62.75400	0.2
63.02350	0.4
67.05510	0.2
69.03081	0.3
69.03423	3.2
69.07074	0.4
69.18274	1.8
70.06582	2.0
72.08157	1.0
72.08493	0.2
73.02917	0.2
74.06096	0.2
78.04713	0.2
79.05489	0.2
79.26089	0.2
80.78265	0.2
81.03421	0.9
81.07059	0.3
83.04996	0.2
84.04497	0.6
84.08129	0.9
85.02896	3.6
86.09696	2.2
89.03908	5.4
91.05467	0.8
93.07042	0.3
95.04948	0.2
95.08601	0.5
97.02890	1.4
97.06534	0.2
103.05469	0.4
105.07040	0.4
106.04173	0.2
107.04961	0.3
109.02854	0.4
109.10130	0.2
110.07131	0.3
116.07100	0.4
117.03369	17.5
119.04918	0.3
119.08596	0.3
120.08107	0.6
121.06435	0.3
121.10186	0.2
127.03900	1.4
129.10231	0.7
130.04926	0.2
134.03622	1.1
135.04404	1.3
136.07549	0.3
137.05969	0.5
140.10695	0.3
145.02831	42.8
145.10040	0.2
146.03162	0.2
147.04283	0.4
149.05959	5.7
157.10097	0.3
158.05952	0.3
162.03067	0.2
163.03891	0.7
164.07048	0.3
166.08363	0.2
167.06932	0.2
175.03767	0.2
177.05450	100.0
178.05791	1.3
186.05463	1.7
195.06465	1.6
200.07074	0.5
207.06587	0.3
260.03613	0.2
261.07648	0.3
321.09750	1.4
339.10678	1.6
339.17285	0.2
501.22852	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	501.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57112	1.6
52.03126	1.7
53.03930	4.8
55.01863	4.4
55.05508	24.8
57.03196	2.2
57.03434	21.3
57.07067	13.1
61.02612	2.8
61.02921	57.4
63.51026	1.7
67.05502	36.7
69.03428	33.6
69.07063	43.3
71.01339	4.0
71.04987	4.5
71.08611	7.3
71.52036	2.6
73.02905	25.0
75.04458	2.4
79.05489	14.9
81.03408	23.2
81.07050	36.5
83.04980	2.3
83.08613	28.3
85.02381	3.7
85.02896	63.4
85.06555	2.9
85.10174	3.2
87.04445	2.0
91.03951	30.4
91.05481	5.1
93.07030	16.0
95.04934	2.3
95.08598	36.3
97.02878	49.2
97.06528	6.6
97.10168	19.3
99.04440	10.3
101.02365	9.4
103.03920	8.3
105.06970	4.0
105.70074	1.7
107.08573	16.0
108.15535	1.7
109.02857	10.4
109.10135	17.8
111.04407	3.4
111.08106	2.5
111.11695	6.2
115.03896	5.9
117.05440	2.8
119.08586	2.4
120.04117	1.7
121.10121	24.8
123.11700	5.8
127.03276	1.6
127.03925	18.1
129.05486	4.7
133.10144	2.4
135.11690	12.7
137.13182	3.3
139.11200	2.5
145.04900	8.3
149.13216	7.5
151.14793	3.2
153.12721	2.6
163.14780	6.0
165.16470	2.9
183.06458	3.4
191.17854	2.0
201.07524	4.1
213.14861	2.1
213.85478	1.9
227.73259	1.8
247.24170	10.4
265.25275	32.4
339.28900	100.0
340.29221	3.6
367.28061	3.9
410.18259	2.2
447.31229	2.5
465.31879	4.0
483.33163	6.3
494.04276	2.0
501.34296	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	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61621	4.3
51.85452	5.0
51.86684	4.8
53.03929	13.3
55.05500	30.2
57.03434	44.3
57.07066	11.7
59.12029	5.1
61.02921	78.1
62.03843	4.8
67.05500	93.5
69.03422	45.2
69.07057	36.6
71.05003	7.2
71.08620	5.6
71.52158	8.7
73.02901	37.7
79.05491	36.2
81.03419	36.7
81.06597	7.7
81.07051	100.0
83.08637	24.6
85.02898	76.9
85.06525	6.6
85.10189	6.1
88.03962	6.1
91.03947	44.3
91.05457	24.1
93.07040	42.3
95.08602	78.5
97.02869	72.7
97.06487	7.0
97.10149	13.2
99.04465	16.6
101.02370	12.2
103.03920	17.1
104.10547	4.9
105.06998	21.2
107.08562	19.8
108.24386	4.8
109.02865	24.5
109.06464	4.9
109.10150	35.4
111.04495	7.4
115.03883	5.0
119.08589	10.7
121.10133	23.2
122.73464	4.5
123.11690	15.3
127.03881	34.7
133.07950	4.8
133.10110	12.4
135.11716	7.8
137.13206	5.3
138.37573	4.5
145.04912	13.1
147.11638	10.5
149.13287	6.4
153.12651	5.4
161.13248	12.0
163.14825	12.5
175.14818	6.2
183.06570	9.5
189.16380	6.1
207.13525	5.1
245.22632	12.0
259.07089	6.1
260.00723	5.9
263.23654	30.3
307.06778	5.5
314.27679	8.0
337.27325	96.7
407.27783	5.5
499.25894	10.5
499.32428	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	500.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	4.3
63.81711	3.1
67.05481	4.6
69.03424	10.6
70.06583	12.7
71.04958	4.6
71.51646	4.1
72.08164	4.1
78.43889	4.4
79.05484	8.9
81.03416	12.1
81.07056	100.0
84.04497	5.2
84.08155	4.7
85.02901	42.8
86.09709	11.1
87.00843	13.1
91.05470	5.2
93.07038	5.0
95.04971	3.5
95.08598	16.7
97.02889	40.2
99.04478	5.8
105.01853	42.8
105.03368	5.2
107.04932	4.8
108.04488	8.9
109.02884	13.6
110.03806	4.2
121.06535	4.4
127.03907	55.4
137.13255	11.1
145.04953	25.5
158.12556	4.4
159.02875	7.8
177.05379	3.8
213.03995	5.7
231.05003	33.9
248.07681	10.8
249.06046	31.1
266.08762	28.7
284.09763	44.3
377.85117	4.0
500.14587	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	500.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.00235	0.6
55.01856	2.7
55.05495	2.6
57.03417	1.9
57.07066	0.9
59.05016	0.7
61.02906	2.5
67.05486	2.9
69.03428	10.1
69.07067	4.1
69.86545	3.9
70.06583	1.7
70.94901	0.6
71.04980	1.1
72.08132	0.9
73.02891	2.4
79.05499	3.3
81.03420	8.7
81.07051	10.7
83.08615	2.9
84.04518	0.8
84.08128	1.0
85.02898	22.8
86.09702	1.2
87.00826	8.8
91.05462	5.8
93.07037	13.6
95.04960	1.6
95.08607	10.5
95.15351	0.7
95.18703	0.6
97.02895	9.5
97.86368	0.8
99.04451	4.2
103.05459	0.7
105.01865	9.2
105.07032	13.9
107.04945	1.8
107.08592	15.4
109.02864	7.7
109.06503	1.6
109.10163	4.2
111.08092	2.6
117.01822	1.5
117.06987	1.9
119.08579	40.2
121.06497	4.4
121.10143	3.5
123.08080	2.4
123.11710	1.0
127.03912	15.1
129.01804	1.4
129.10149	0.8
131.08539	2.9
133.06477	2.1
133.10126	100.0
134.10489	1.2
135.08052	2.0
135.11679	1.1
137.06033	1.4
137.09589	1.0
137.13237	0.9
138.50517	0.7
143.08560	1.1
145.04958	7.1
145.10133	1.9
147.08072	3.9
147.11673	10.6
149.09637	1.2
151.07520	1.1
157.10104	1.6
159.02905	4.6
159.11710	8.5
161.09607	5.0
161.13249	6.5
165.09076	1.0
171.11707	1.3
173.13251	1.4
175.11134	4.5
175.14771	3.8
177.05447	1.2
187.14815	2.0
189.16371	56.3
199.14816	3.1
205.15916	0.8
213.03987	1.3
213.16299	0.9
217.15865	35.7
231.05058	2.6
235.16933	18.7
249.06032	2.4
262.11569	0.7
273.32111	0.7
297.18427	0.8
305.68417	0.7
368.51547	0.7
409.10602	0.8
456.14517	0.7
483.22180	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	498.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
57.06796	2.3
57.07074	35.6
69.07064	2.4
69.98297	5.2
71.08631	25.2
73.06553	8.8
83.08628	2.0
85.10178	22.5
87.04449	2.3
89.06030	100.0
97.10151	3.2
99.11713	4.8
107.07070	4.1
113.13239	1.9
117.09118	4.6
130.08629	4.1
131.07092	1.7
133.08600	54.8
136.95282	1.2
145.10162	1.1
155.17896	5.3
177.11209	21.3
190.55161	0.9
195.12297	1.6
199.20592	5.7
221.13869	3.4
239.14891	2.5
243.23183	9.4
283.17627	1.7
287.25842	6.9
327.20193	7.7
414.09436	1.0
418.69424	1.0
437.34564	1.3
481.37338	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	499.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
54.76485	1.4
55.01851	5.0
55.05270	1.9
55.05510	24.3
57.03438	28.5
57.07059	7.0
60.08153	2.9
61.02927	78.9
65.03919	2.1
67.05504	80.5
69.03430	40.0
69.07069	32.4
71.01338	5.5
71.04989	7.7
71.08611	2.9
71.58884	2.0
73.02917	35.1
74.49162	1.5
75.04443	1.9
79.05495	28.2
79.60326	1.4
81.03413	27.7
81.07053	88.1
83.04983	5.1
83.08160	2.2
83.08615	20.4
85.02906	73.5
85.06528	4.4
86.09699	9.4
87.04466	3.8
87.10015	3.6
91.03951	46.7
91.05480	20.3
92.68336	1.6
93.07037	29.1
95.04969	3.8
95.08604	74.7
97.02887	63.1
97.06526	6.8
97.10161	12.3
99.04464	12.0
99.08054	3.4
101.02356	15.6
103.03934	9.6
104.10742	14.7
105.07029	13.6
105.11079	7.2
107.04965	2.4
107.08583	14.7
109.02861	11.6
109.06499	2.5
109.10151	30.7
111.04451	3.6
111.08042	3.8
111.11720	3.2
115.03899	7.0
115.72243	1.4
117.05502	3.0
119.08580	12.3
121.10155	16.2
123.11708	17.8
124.99990	3.4
125.09621	2.4
127.03913	26.3
129.05440	5.5
131.08534	4.8
133.10124	10.8
133.10965	1.7
135.11685	10.2
137.05933	1.8
137.13249	5.5
139.11156	2.0
145.04906	9.8
147.11694	8.2
149.13243	5.3
151.14771	4.6
153.12721	1.8
157.10095	2.7
161.13245	8.9
163.14818	8.1
165.12741	4.7
165.16333	1.9
171.06465	1.6
175.14809	10.0
177.16338	2.9
179.14233	1.8
180.87199	1.5
183.06462	4.9
184.07329	12.5
185.07652	6.6
186.07771	9.2
187.14943	1.9
189.16370	4.6
201.07582	4.6
217.19324	1.8
243.21182	2.2
245.22636	10.8
261.22141	1.7
263.23715	24.3
303.22937	2.3
305.24832	1.6
337.27368	100.0
338.27673	4.1
365.26721	2.7
371.25604	3.7
389.26877	1.6
407.28592	1.6
463.30460	2.1
481.31979	5.9
499.32883	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	501.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
54.41947	0.2
55.01863	0.3
57.03449	0.3
60.97858	0.2
61.02927	0.4
63.02398	0.6
65.30638	0.2
68.69647	0.2
69.03425	2.9
69.07066	0.2
70.06589	1.3
71.17056	0.3
72.08147	0.4
78.04716	0.3
81.03421	0.5
84.04501	0.4
84.08144	0.7
85.02908	3.1
86.09706	0.6
89.03913	5.9
89.04429	0.4
91.05480	0.5
97.02900	1.4
101.35396	0.2
103.05471	0.2
106.04205	0.3
109.02871	0.4
110.07144	0.3
116.07051	0.2
117.03378	18.4
127.03896	1.5
129.10246	0.4
134.03612	1.5
135.04370	1.5
135.89331	0.2
136.07584	0.7
137.05960	0.4
145.02841	47.3
146.03200	0.6
149.05975	7.2
162.99164	0.2
163.03931	0.6
177.05464	100.0
178.05904	1.2
186.05516	0.7
195.06502	0.8
270.32898	0.2
321.09808	1.5
324.03915	0.3
339.10931	1.1
460.86633	0.3
501.31650	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	500.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.3
53.03931	0.7
55.05505	3.7
56.05032	4.4
57.03430	1.2
57.07059	0.3
58.06595	0.4
59.05272	0.2
60.08147	0.5
65.03946	2.7
67.05502	7.7
69.07069	2.2
70.06581	0.9
71.04991	0.6
71.07368	20.2
71.25115	0.5
79.05490	6.8
81.07051	5.3
83.04548	0.3
83.04975	1.4
83.08621	0.5
86.09701	83.6
90.99487	0.6
91.05476	4.3
93.07035	7.2
95.04969	0.7
95.08605	4.4
97.06519	0.4
98.98460	8.4
103.32637	0.2
104.10738	0.6
105.07002	1.8
107.08576	2.8
109.06476	0.3
109.10184	1.2
116.99503	0.2
117.07040	0.4
119.08561	1.3
121.10125	2.2
124.99995	21.4
131.08554	0.8
133.10098	0.8
135.11702	1.1
136.99980	3.0
143.01028	0.3
145.10115	0.5
147.11673	0.6
149.13252	0.3
151.01530	0.5
155.01175	0.3
159.11728	0.3
163.01546	20.3
173.13309	0.3
181.02585	2.1
184.07324	8.3
359.25702	0.3
371.22006	0.2
436.74954	0.3
441.23962	8.4
495.62445	0.3
500.31329	100.0
501.31598	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	498.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28139	0.3
55.05493	0.9
56.05037	2.0
58.06609	0.3
60.04509	1.5
67.05471	0.5
69.03416	0.4
69.07060	0.8
70.06590	16.9
71.06908	0.7
71.50226	0.3
71.57570	0.8
72.07813	0.4
72.08158	4.9
74.06068	0.7
76.12797	0.3
79.05482	0.5
81.03411	0.3
82.06566	0.5
83.06095	0.4
84.04496	2.5
84.08141	33.8
85.02907	0.6
85.06574	0.4
85.08470	0.4
86.06052	1.3
86.09167	0.4
86.09700	7.2
87.05575	0.6
87.10020	0.3
91.05461	1.4
93.07036	1.2
93.95299	0.3
94.06606	0.3
95.04965	0.6
97.02857	0.4
98.06038	0.5
101.07131	0.3
101.10764	1.2
102.05537	0.6
103.05454	3.1
104.05331	0.6
104.84174	0.3
105.05785	0.3
105.06995	0.3
106.06522	0.3
107.04942	1.4
108.94151	0.3
109.02879	0.3
110.07165	2.7
112.08704	0.9
112.16833	0.3
113.07087	0.4
113.89165	0.3
115.08687	0.7
116.07076	1.5
119.04943	0.4
120.08099	100.0
121.08437	2.1
127.05093	0.4
127.08661	1.1
129.10234	16.4
130.06555	0.5
130.08636	13.2
134.05991	0.4
135.04410	1.0
136.07550	2.2
137.05974	1.0
141.10248	0.3
145.02844	0.6
145.06093	0.6
147.04454	0.6
147.11281	14.6
148.07510	0.4
149.05952	0.3
152.07053	3.3
155.08197	0.5
159.09271	0.4
163.03882	0.3
164.07137	0.5
167.07114	0.5
168.10226	0.5
169.13351	0.4
175.06302	1.4
177.05435	0.7
177.10228	11.0
184.07465	0.5
186.12370	0.5
187.10873	0.5
197.12996	0.4
199.14429	0.5
199.67909	0.3
205.09727	4.0
213.12399	0.6
214.12096	0.4
227.13937	0.5
229.15485	0.9
244.13226	0.8
259.14493	0.3
276.17151	2.1
277.15552	0.4
286.17648	0.7
288.16010	0.8
294.18124	12.6
306.16922	0.4
307.14444	0.9
352.16641	1.1
441.24695	0.9
463.23419	0.6
498.27164	31.1
498.33728	2.0
499.27618	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	498.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39056	1.0
52.58587	0.9
53.03933	1.7
54.10256	1.0
55.05510	7.3
57.03436	5.9
57.07073	1.0
61.02925	1.8
63.36759	1.0
67.05502	31.2
69.03428	2.0
69.07065	3.9
69.58848	6.6
69.59271	1.6
70.06574	3.9
71.04999	7.2
72.08127	1.8
73.02891	1.3
79.05492	10.6
81.03398	1.4
81.07055	50.9
83.04982	2.8
83.08601	4.6
84.08144	1.9
85.02886	4.6
85.06548	6.7
86.09697	2.8
91.03943	1.6
91.05479	12.8
93.07040	22.6
95.04976	1.7
95.08595	6.9
97.02872	2.6
97.06517	4.7
99.04378	1.1
99.08063	2.6
103.05472	1.1
105.07036	5.2
107.08595	9.2
109.06507	1.7
109.10126	3.6
117.07020	4.9
119.08545	1.7
120.08086	3.4
121.10112	3.5
123.11694	9.8
125.09596	1.3
129.10284	1.2
131.08554	4.2
133.10114	11.5
135.11658	4.8
137.06020	1.9
138.37532	1.1
141.04665	1.1
145.04994	1.4
149.13251	13.4
151.11177	5.3
159.11691	24.8
159.12909	2.1
161.13217	2.9
168.10208	1.3
169.12238	1.3
177.12729	35.2
179.14360	7.0
187.13243	6.8
195.13783	5.0
233.15204	1.1
236.58203	1.1
243.15926	40.5
249.21417	1.1
251.16379	11.8
257.17496	2.4
269.17480	100.0
301.20084	18.9
366.34314	1.3
366.81766	1.1
373.13828	3.6
445.24402	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	496.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51716	0.1
51.79777	0.1
54.01453	0.1
55.05506	0.1
56.05039	0.5
56.99609	0.1
57.03428	0.3
57.07068	0.7
58.06628	0.5
59.07379	0.1
60.08160	6.6
67.05492	0.3
69.07041	0.1
70.06600	0.1
70.77477	0.2
70.77831	0.2
71.07368	2.9
71.08614	0.4
79.90460	0.1
80.97452	0.1
81.07039	0.2
83.08585	0.2
83.28908	0.1
85.10169	0.2
86.09701	33.1
87.09992	0.2
95.08610	0.3
98.98461	3.0
104.10738	3.6
105.11047	0.2
109.10161	0.1
124.99996	22.4
143.01013	0.3
162.47609	0.1
166.02693	0.2
175.47368	0.1
184.07330	100.0
185.07690	0.5
186.07849	0.1
258.11111	0.3
295.50745	0.1
313.27295	0.2
316.76132	0.1
327.48175	0.1
478.32767	1.0
496.33908	2.3
513.98602	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.4
55.01862	10.6
57.03428	7.1
61.02913	11.5
67.05511	8.3
69.03426	51.2
69.43678	19.6
69.44090	30.0
70.06586	16.4
71.04973	9.1
73.02917	6.7
81.03414	48.3
83.04972	12.8
84.04496	8.3
84.08143	6.6
85.02904	100.0
85.07674	62.7
86.09704	12.8
87.00823	31.0
91.05468	7.8
93.07152	5.5
95.04945	11.0
97.02876	36.2
98.21610	9.2
99.04464	20.6
105.01864	31.2
109.02882	53.3
110.07195	8.8
111.04414	7.7
120.08100	15.2
123.04380	13.3
125.02378	11.4
127.03911	90.4
137.06024	8.7
145.04974	16.0
151.03923	11.3
159.02809	10.0
159.98294	6.4
165.09071	8.3
169.04976	12.5
171.02876	7.4
187.06006	15.4
189.03929	16.4
193.04848	7.9
203.70520	6.0
231.05109	8.8
255.04840	8.8
273.06104	37.2
273.08557	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	494.3239
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05521	2.0
56.05046	0.7
57.03429	0.4
57.07065	0.6
58.06607	1.3
58.56509	0.3
60.08162	16.4
61.02912	0.4
61.64101	0.4
67.05502	1.9
69.07062	1.9
69.49017	1.1
69.49438	2.5
70.06587	0.5
71.07373	6.6
79.05486	0.8
81.07045	1.7
83.08628	1.3
86.09703	48.4
93.07048	1.1
95.08600	1.4
97.10122	0.5
98.21552	0.7
98.98469	3.6
104.10738	91.4
105.11169	0.4
107.08557	0.5
110.47856	0.4
121.10110	0.4
125.00000	26.7
127.24049	0.4
130.04765	0.4
149.02321	1.0
154.74066	0.4
163.01535	0.8
166.02704	0.4
184.07335	100.0
185.07726	0.5
193.04999	0.9
206.63264	0.4
243.78203	0.4
258.11057	1.1
284.29532	0.5
295.62442	0.4
311.25919	1.5
417.23950	0.6
476.31335	8.4
494.32370	22.2
495.32663	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	494.3242
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
51.27682	0.6
51.71943	0.6
52.48643	0.7
53.59520	0.7
55.05510	3.0
57.03421	1.2
57.07069	1.2
58.06583	2.1
60.08162	17.4
64.20695	0.7
65.86182	0.7
69.07058	2.7
71.07370	6.8
71.08624	0.9
71.61439	1.3
81.07066	0.8
83.03133	0.8
83.08606	2.1
85.12090	0.8
86.09705	51.3
97.10145	1.4
98.98454	3.6
104.10740	100.0
108.76327	0.8
111.21696	0.7
120.07979	0.6
123.87083	0.7
125.00005	28.8
126.53958	0.8
149.02370	0.8
158.04704	0.8
184.07336	95.9
216.24356	0.8
241.27898	0.7
258.11014	0.9
311.25806	2.8
476.31384	10.4
494.32394	23.9
495.32452	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	496.3395
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05500	0.4
56.05027	1.2
57.07078	3.0
58.06595	1.4
60.08163	14.7
67.05499	0.5
69.07059	0.3
69.57043	0.9
69.57469	2.0
71.07369	5.6
71.08633	2.0
74.00831	0.3
81.07050	0.8
83.08633	0.7
85.10176	0.6
86.09703	45.0
87.10022	0.4
95.08595	1.3
98.98460	3.6
104.10738	100.0
105.11050	0.5
124.01110	0.3
124.99996	26.2
163.01552	0.8
184.07336	96.2
200.51765	0.3
202.45300	0.3
258.11050	1.6
292.09763	0.4
308.09485	0.3
313.27359	1.9
408.55408	0.4
419.25024	0.5
478.32944	9.3
496.33957	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	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05032	0.4
58.06604	0.5
60.08162	7.1
67.05505	0.5
69.07064	0.7
69.72195	0.5
69.72623	1.0
71.07372	3.1
74.93339	0.2
76.79014	0.2
79.05497	0.3
81.07040	0.4
83.08639	0.5
86.09702	30.0
95.76842	0.3
97.10144	0.3
98.98457	2.4
104.10737	4.8
112.90961	0.2
115.03188	0.2
121.10123	0.2
121.37785	0.2
124.99996	22.1
143.01039	0.4
172.95137	0.2
180.49031	0.2
184.07329	100.0
185.07648	0.5
211.13113	0.2
213.67165	0.3
237.07484	0.4
258.10837	0.4
291.24100	0.2
311.25787	0.2
313.74506	0.2
476.31424	1.3
477.31525	0.3
494.32333	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	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47476	0.1
54.82104	0.1
55.05504	0.5
56.05032	0.5
57.03436	0.4
57.07075	0.3
58.06327	0.2
58.06619	0.5
59.07396	0.2
60.08162	7.1
67.05502	0.4
69.07059	0.5
69.85607	0.1
70.06587	0.4
71.07372	2.9
74.48009	0.1
79.05482	0.2
81.07052	0.3
83.08615	0.2
86.09702	32.3
87.10036	0.3
88.07626	0.7
93.07038	0.2
95.08593	0.3
97.10165	0.2
98.98464	3.2
102.09208	0.3
104.10738	2.9
107.08633	0.2
121.10236	0.2
124.99999	22.9
143.01012	0.2
149.02335	1.9
149.03458	0.1
184.07335	100.0
185.07687	0.8
193.04906	1.4
214.31738	0.2
215.08311	0.1
229.64488	0.2
237.07576	1.8
258.11038	0.2
274.46066	0.2
284.26727	0.2
284.29404	1.1
311.25830	0.3
424.21780	0.2
476.31281	1.1
494.34088	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	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.3
56.05040	0.4
57.05816	0.4
69.03432	0.4
69.07069	0.7
70.02950	0.7
70.06586	2.0
71.33365	0.7
71.52530	0.3
72.08153	62.3
79.05489	0.4
81.07047	0.3
84.04500	0.5
84.08154	1.1
86.09704	12.2
88.03976	2.7
91.05489	1.0
93.07050	1.1
98.02390	0.3
103.05465	3.3
110.02407	0.7
110.07148	0.3
113.10763	0.8
120.08100	100.0
121.07679	0.3
121.08454	1.7
123.04323	0.3
129.10223	0.9
132.10190	4.5
136.07559	0.4
141.10210	1.8
146.09630	0.4
148.07611	0.4
166.08630	1.4
168.10155	0.4
172.07603	0.5
177.05496	0.6
178.11508	0.3
183.11343	0.9
187.10777	1.3
191.11836	0.9
201.12312	4.2
212.09184	1.2
217.09723	2.6
219.14926	33.0
220.15340	0.6
228.16669	0.6
229.11804	2.0
233.16573	0.5
235.10732	1.9
247.12682	7.8
247.14491	10.2
251.51256	0.3
261.16006	0.9
263.10263	5.6
294.16110	0.3
362.17087	7.7
394.19730	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	494.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
56.05021	1.3
56.96558	0.6
60.04511	0.7
69.03427	1.1
70.06586	4.5
71.51185	0.8
72.08154	3.6
74.06071	1.0
77.03927	0.4
79.05484	4.2
81.03407	1.0
81.07059	0.5
83.05008	0.5
83.06100	0.8
84.04514	3.3
84.08134	5.6
85.02882	0.6
86.09712	2.5
86.14280	0.4
88.03974	0.5
89.03896	0.8
91.05465	0.7
91.78138	0.4
93.62238	0.4
95.04958	1.8
97.02895	0.5
101.07140	0.6
101.53513	0.4
102.05553	0.6
104.05320	0.7
106.06543	7.8
107.04953	37.2
109.02891	3.3
110.06041	0.4
110.07157	1.6
112.94536	0.4
117.03428	0.7
120.08076	3.5
123.04430	0.8
129.06557	0.5
129.10242	4.8
134.06000	8.2
135.04408	25.1
136.07550	1.4
137.06020	1.1
145.02859	1.7
147.07953	0.4
148.06073	0.5
152.07060	100.0
153.05428	1.4
153.07426	1.1
163.03896	10.4
164.04195	0.8
164.07018	0.6
170.07968	0.5
181.90367	0.7
200.10374	0.6
213.89134	0.5
214.03496	0.5
272.21863	0.4
314.09998	0.6
401.63315	0.5
450.68964	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	493.1705
Annotation	Myrciacitrin II
Peak:m/z	Relative Intensity
53.03948	1.9
55.01872	3.1
55.05504	1.5
57.03429	1.7
61.02931	2.7
64.43001	0.4
65.03896	0.4
67.05503	4.3
69.03428	9.3
69.04229	0.4
69.07049	1.2
70.06597	2.4
71.04975	1.1
71.57537	0.3
71.58053	0.5
72.08147	1.6
73.02914	1.2
79.05496	1.5
81.03416	4.5
81.07051	1.7
83.08615	0.7
84.04486	0.7
84.08134	0.8
85.02902	14.4
85.06527	0.4
86.09705	7.0
87.04456	1.0
91.03951	0.8
91.05457	2.0
93.07035	1.8
95.04964	6.5
95.08586	1.4
97.02888	6.2
99.04459	0.9
100.11243	0.7
100.55169	0.4
103.05439	1.1
105.07011	1.7
107.04947	2.3
107.08579	0.9
109.02844	2.0
109.06546	0.5
109.10146	1.1
110.07143	0.6
111.04444	0.6
115.03949	0.5
119.08597	0.8
120.08105	2.6
121.06504	1.3
121.10134	1.0
123.04426	56.9
124.04723	0.9
125.05964	0.4
125.09604	0.6
127.03922	3.1
129.06975	0.5
131.04907	1.8
131.08603	0.4
133.06467	0.6
133.10136	0.5
135.04417	0.7
135.08040	0.6
135.11690	0.8
135.31905	0.4
136.07576	0.6
137.05962	1.2
145.04926	1.5
145.06284	0.4
145.10089	0.5
147.04411	1.2
147.11504	0.4
149.05984	1.8
149.09552	0.4
151.07578	0.9
153.05493	0.4
155.07034	4.4
159.04323	0.7
161.05933	0.7
163.03880	0.5
163.07529	0.5
163.11224	0.4
164.07053	0.4
165.09100	0.5
166.02582	0.8
167.07018	1.0
173.05949	0.6
173.12904	1.1
175.07571	0.6
177.05470	2.3
178.06140	0.6
179.07079	0.8
180.10214	1.5
180.59558	0.4
181.04956	6.2
181.08514	2.8
184.03673	0.9
191.07072	2.0
191.10565	0.7
192.04131	1.1
193.08658	0.6
194.05775	2.9
206.05713	2.2
207.06526	7.0
208.07274	0.6
209.08081	27.0
210.08420	1.0
221.06107	0.6
221.08070	18.1
222.08461	0.4
281.08011	0.5
293.18735	0.7
294.76910	0.4
298.08255	0.9
313.10681	65.3
314.11115	2.1
331.11743	100.0
332.12115	3.2
475.16061	0.7
493.27884	2.0
493.37506	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	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65581	2.5
51.79076	2.2
53.03939	6.6
55.01857	10.6
55.02098	2.8
55.05515	12.2
57.03426	8.6
57.07038	2.8
61.02925	4.7
67.05499	23.2
69.03429	39.3
69.07058	11.8
70.06587	5.9
70.71374	7.0
71.04995	16.6
72.08180	3.9
72.91283	2.4
73.02906	6.7
79.05484	9.5
81.03420	33.0
81.07057	35.5
83.04959	4.1
83.08621	12.4
84.04455	2.8
84.08149	3.4
85.02908	100.0
85.06530	7.4
86.09708	5.2
87.00826	33.3
91.05484	11.5
93.07050	14.3
95.04948	4.1
95.08607	47.5
97.02887	38.0
97.06537	12.5
97.10148	10.5
99.04445	16.8
99.08091	4.5
105.01874	39.4
105.07053	11.3
107.04937	2.9
107.08595	12.4
109.02884	41.6
109.06531	2.7
109.10165	31.3
110.07159	3.8
111.08076	6.5
111.11715	3.3
117.01829	5.2
119.08588	20.7
121.10123	10.1
121.66902	2.3
125.09647	3.1
127.03918	76.5
129.01816	6.6
133.10146	21.4
135.07976	3.0
135.11684	4.0
137.05975	3.9
137.09618	4.9
145.04947	22.1
147.11676	10.9
149.09634	3.1
149.13234	9.1
151.14827	20.9
152.07085	2.6
159.02884	9.9
175.14822	64.6
184.07378	3.1
193.12241	3.5
193.15872	60.7
201.16414	2.8
208.02673	3.4
211.14902	3.3
211.16933	65.3
213.03946	7.8
219.07979	2.3
229.17987	27.5
231.04939	18.0
298.21262	2.8
301.10748	3.7
319.19180	3.1
327.07974	3.1
411.37479	2.6
421.95682	2.5
494.13107	3.5
494.22333	4.8
495.13730	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	494.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
54.47010	2.4
55.01871	11.4
55.05513	15.7
56.38911	2.8
57.03426	8.3
61.02915	7.2
67.05506	21.8
68.99797	3.6
69.03432	42.9
69.07081	17.5
70.06596	10.2
70.78078	6.2
71.04987	12.7
73.02895	6.0
79.05482	9.0
81.03419	31.2
81.07056	31.6
83.08625	9.2
84.04510	5.4
84.08159	6.7
85.02902	100.0
85.03365	3.5
86.09707	12.6
87.00827	44.2
91.05482	14.6
93.07035	15.4
95.04990	4.2
95.08608	42.8
97.02900	31.3
97.06533	10.8
97.10163	6.2
99.04465	15.2
105.01862	31.3
105.07026	13.2
106.84151	2.9
107.05030	3.9
107.08609	12.8
109.02892	40.7
109.10162	31.4
110.07113	3.1
111.08098	5.2
115.07610	3.0
117.01871	3.4
119.08558	17.9
120.08125	7.8
121.10146	11.1
123.11664	4.5
127.03918	63.1
129.01874	5.2
131.08585	3.3
133.10097	18.8
134.29584	3.2
135.11705	7.0
137.09641	3.8
138.33568	3.0
144.90637	3.0
145.04979	20.1
147.11694	11.3
149.13245	10.0
151.14828	16.9
159.02908	9.7
163.53905	3.1
163.94070	2.7
175.14821	52.9
184.07349	9.2
193.15900	44.1
211.16940	50.5
213.03972	6.8
229.17923	24.3
231.04980	10.6
250.11389	2.8
301.10721	3.9
344.98193	3.5
452.26694	4.2
494.13406	9.2
494.21835	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	492.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58538	0.6
53.03932	1.4
55.01859	0.6
55.05510	12.2
57.03201	0.6
57.03434	6.0
57.07064	1.7
58.06596	25.0
61.85793	0.6
67.05501	26.1
67.41991	0.6
69.07065	14.0
69.95549	1.9
71.08621	0.8
74.27153	0.5
79.05487	6.5
81.07049	24.8
83.04964	1.0
83.08613	6.8
91.05457	4.8
93.07034	7.6
95.04958	0.7
95.08601	18.6
97.06511	1.7
97.10162	4.4
105.07046	3.1
107.08593	3.0
109.10152	6.2
111.08051	0.9
111.11726	1.0
119.08553	2.9
121.10145	3.0
123.11680	3.2
133.10129	2.0
135.11703	1.8
137.13248	0.9
147.11681	1.8
156.04155	4.0
164.06833	0.6
175.14830	0.7
230.07822	0.8
263.23767	1.0
304.23303	0.7
323.57275	0.6
327.37488	0.6
337.27341	100.0
338.27652	3.0
391.22003	0.9
492.32748	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	493.1702
Annotation	4,2'-Dihydroxy-3,4',6'-trimethoxychalcone 4-glucoside
Peak:m/z	Relative Intensity
53.03923	1.1
55.01862	2.5
55.05499	3.3
57.03427	0.7
59.82620	0.6
61.02913	1.5
63.79300	0.6
64.86039	0.6
65.03942	0.8
67.05505	3.6
69.03436	4.4
69.78259	2.9
70.06586	4.5
72.08150	23.5
79.05475	1.1
81.03390	2.4
84.04469	1.3
84.08119	1.6
85.02454	0.6
85.02909	7.3
86.09693	8.3
87.27872	0.8
91.05478	1.0
93.07021	0.9
95.04948	3.5
96.05673	0.6
97.02912	3.0
99.04423	0.9
103.05453	1.7
105.07003	0.6
107.04954	4.9
109.02885	1.2
114.89498	0.6
117.07029	1.2
120.08100	36.5
121.06506	2.3
123.04424	43.7
127.03931	0.9
129.10216	1.3
130.06502	0.8
131.04912	1.5
132.10187	2.2
133.06519	1.1
135.04422	1.0
137.05974	3.5
141.10249	0.7
145.05054	0.8
145.06432	1.9
147.04376	2.1
149.05959	2.4
151.07539	1.5
152.04579	0.8
155.07027	4.1
159.04428	0.8
159.08052	1.1
161.05943	2.1
163.03836	0.8
166.02707	0.7
166.08659	0.7
167.07051	8.0
173.05931	3.1
177.05444	2.4
179.06993	1.9
181.04942	6.6
181.08614	2.1
184.03726	1.5
187.10800	1.5
190.06282	0.8
191.07027	3.1
192.04198	0.7
193.08527	0.8
194.05760	4.6
201.12335	1.4
205.08591	2.6
206.05766	4.0
207.06491	5.6
208.05226	1.1
209.08084	41.7
217.08560	1.8
219.10156	0.9
219.14905	12.3
221.08061	26.1
221.10181	1.4
234.67513	0.7
241.08507	0.9
247.12608	2.1
247.14513	2.8
253.08661	0.9
254.05688	0.8
263.10355	1.8
265.08652	0.9
269.07983	3.1
281.08035	0.7
282.08859	1.5
291.09717	0.8
297.07571	0.9
298.08286	1.3
300.09988	0.7
313.10678	71.2
314.11127	2.1
315.08578	7.1
329.10269	1.4
330.10986	4.7
331.11737	100.0
332.12061	3.8
343.11844	1.5
355.11853	0.7
362.17056	2.8
373.12778	0.9
383.14841	2.2
394.19540	1.2
401.16107	0.9
404.14648	6.4
424.16644	0.7
457.18335	1.6
475.19968	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	492.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01883	2.1
55.05511	9.9
57.03430	5.3
62.06078	2.0
67.05507	28.5
69.07061	9.6
70.06591	2.0
70.44231	4.0
71.04974	1.3
71.08251	1.2
71.08631	18.8
79.05489	20.7
81.03416	2.4
81.07056	29.6
83.04977	3.3
83.08628	6.7
85.06535	1.4
86.09693	1.1
88.60442	1.3
91.05482	15.1
93.07041	23.0
95.04961	5.4
95.08607	16.1
97.06509	3.0
97.10141	2.2
98.98454	2.5
99.08091	12.3
105.07034	8.9
107.04936	3.7
107.08585	16.9
109.06495	2.9
109.10152	10.7
111.08055	1.8
117.06941	1.4
119.08566	10.3
121.06400	1.2
121.10145	11.6
123.11632	1.6
125.09629	1.5
129.06979	1.2
131.08539	3.0
133.10098	5.6
135.08044	1.6
135.11678	11.4
137.09592	1.3
137.13271	1.9
143.08504	2.0
145.10101	3.0
147.11671	4.8
148.35255	1.0
149.13225	3.9
151.11171	7.0
159.11696	2.6
161.13287	5.1
163.11150	2.1
164.10434	1.1
171.11710	1.5
177.12846	1.4
179.14320	36.4
185.13252	1.6
189.12706	1.3
198.05351	1.5
216.06358	1.4
221.15192	1.2
229.14342	2.9
235.16811	1.6
241.19559	1.5
259.20636	2.7
277.21616	24.7
299.15903	1.3
320.25870	9.0
333.24216	9.4
351.25293	100.0
352.25552	3.7
395.19061	1.3
430.33591	1.3
431.21655	2.4
460.30945	1.3
474.59381	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25730	1.8
52.03973	1.9
53.03940	3.7
55.01869	2.7
55.05503	8.2
56.05025	2.9
57.03434	3.0
67.05484	3.6
69.03427	9.6
69.07053	3.1
70.06598	22.6
71.04992	1.9
71.54066	3.9
72.08154	36.2
73.02881	2.5
73.08499	2.2
79.05486	5.8
81.03391	8.7
81.07056	15.3
83.04989	4.7
83.06100	4.8
83.08630	2.2
84.04480	7.2
84.08147	10.5
85.02898	24.6
85.85011	1.9
86.09712	20.4
87.00812	7.1
89.03910	5.4
91.05460	11.5
93.07022	9.5
94.57462	1.8
95.04988	14.2
95.08601	8.3
97.02893	8.9
97.06505	4.1
99.04441	6.7
101.07098	2.3
104.05328	2.3
105.01879	9.4
105.07015	9.0
107.04950	3.2
107.08600	12.8
109.02856	7.4
109.06503	30.7
109.10158	9.3
110.07167	3.9
117.03376	15.4
119.04926	4.3
119.08559	7.1
120.08096	16.0
121.06497	10.9
121.10144	7.8
123.08105	3.1
123.11656	3.6
127.03934	15.6
129.10237	5.2
131.08568	8.3
133.10109	28.6
135.04385	3.7
135.08083	3.6
135.11671	2.8
136.07542	4.7
137.05995	15.3
138.09143	5.9
139.11176	4.5
145.02841	41.3
145.04883	4.9
145.10081	6.6
147.04411	3.9
147.11662	4.5
149.05962	7.7
149.09563	2.3
149.13200	4.2
153.09109	6.0
159.02846	3.0
163.03882	5.0
164.07043	3.3
166.08600	3.2
167.07016	4.5
173.13298	17.0
177.05453	100.0
178.05940	2.8
182.12891	4.5
183.11285	7.2
187.14412	2.4
189.06462	2.3
191.14290	28.9
193.04764	1.9
200.13905	4.6
209.15370	20.7
210.12314	3.0
213.03935	2.7
227.16403	2.3
228.13356	4.2
229.09630	3.0
234.24312	1.9
243.11441	3.0
285.12387	3.7
313.11758	5.5
330.13425	23.5
331.12866	27.7
338.13754	2.2
460.61432	2.1
492.17529	2.3
494.84875	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	492.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28237	0.9
53.03943	1.5
53.48453	0.9
55.05321	0.7
55.05511	7.4
57.03437	22.2
59.25339	0.9
60.39703	0.8
62.06069	2.7
65.03929	1.8
67.05505	37.5
69.03400	0.9
69.07086	5.3
70.06569	1.1
71.04966	1.1
71.08057	1.9
75.04478	11.6
79.05491	13.0
81.07056	31.0
81.07531	1.8
83.04975	1.1
83.08618	2.3
86.09698	1.1
91.05484	7.4
93.07037	10.3
95.04952	1.2
95.08608	28.4
97.06490	1.0
98.98481	7.4
103.03939	5.6
105.07018	3.2
107.08615	6.0
109.06499	1.6
109.10152	11.4
111.08067	1.1
118.87605	0.8
119.08565	3.3
121.10176	4.7
123.11696	5.1
131.08568	1.1
133.10123	4.5
135.11702	3.1
137.13246	0.9
142.02638	0.9
145.10159	0.9
147.11673	2.0
149.13261	2.1
155.01077	1.2
157.10049	1.2
159.11624	0.9
161.13203	1.9
163.14694	1.1
173.02081	2.6
181.84019	0.8
194.01845	0.8
216.06241	1.9
241.19403	1.2
249.22049	2.1
259.20496	1.9
333.24298	0.9
351.25296	100.0
352.25589	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.5
55.01873	3.5
55.05513	1.9
57.03423	2.0
57.07077	8.5
60.04227	0.7
61.02916	2.9
67.05503	7.8
68.99792	1.2
69.03428	16.0
69.07066	5.9
69.63358	0.6
70.06586	2.0
70.09846	1.5
70.10223	3.1
71.04985	2.1
71.08646	1.0
72.08139	1.2
73.02903	2.0
75.04491	4.4
79.05492	53.3
79.34547	0.7
81.03413	12.8
81.07048	13.7
83.04955	1.5
83.08628	1.5
84.08142	2.1
84.14362	0.7
85.02903	40.8
85.06544	1.1
86.09687	2.0
87.00827	18.7
91.03943	1.1
91.05471	9.7
93.07041	62.2
94.07359	1.0
95.04958	3.2
95.08599	4.9
95.31066	0.8
97.02889	13.0
97.06511	2.8
98.76501	0.7
99.04457	4.7
99.08121	0.7
104.22533	0.7
105.01859	22.1
105.04521	1.1
105.07007	3.7
107.04964	2.0
107.08591	35.2
108.04475	1.6
109.02889	10.4
109.06508	1.7
113.03416	0.8
117.01807	0.9
117.06992	4.2
119.08598	1.9
121.06496	2.9
121.10148	5.9
125.06011	0.9
127.03912	27.1
129.01823	1.4
131.08571	3.1
133.10124	12.4
135.08061	2.2
135.11687	97.9
136.12003	1.6
139.07535	11.5
141.09059	0.9
145.04962	7.5
145.10135	1.2
147.02905	0.8
147.11655	0.9
149.13251	53.6
153.09137	5.5
153.12724	1.6
157.10114	1.1
159.02899	5.6
159.11714	5.3
167.14320	1.1
177.03879	0.9
177.05510	0.9
177.12737	46.5
178.13016	1.0
189.03978	0.9
195.13785	2.7
209.15363	100.0
210.15668	2.1
227.16393	1.6
231.04996	6.5
249.06033	2.6
339.13309	1.0
369.14581	0.7
500.98575	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
54.81133	1.0
55.01869	1.2
55.05504	8.4
56.03984	1.2
56.05027	2.1
57.03437	2.2
59.04982	1.3
61.02906	2.5
62.06085	1.6
67.05492	2.2
68.99796	1.5
69.03429	8.4
69.07064	2.5
70.06590	15.7
71.04980	2.5
71.51478	2.2
72.08147	56.7
74.06056	1.3
76.02218	1.1
77.17702	1.0
79.05482	2.7
81.03413	6.3
81.07064	5.4
83.04971	1.9
83.08607	3.3
84.04510	3.6
84.08143	5.9
85.02899	19.8
85.06512	1.9
86.09701	29.3
86.69127	1.0
87.00825	9.7
87.10015	1.1
88.03991	3.2
91.03922	1.1
91.05457	5.4
92.42565	1.0
93.07029	7.4
95.04967	7.3
95.08580	3.9
97.02895	8.9
97.06509	6.5
98.02370	1.1
99.04432	5.9
99.08054	1.2
101.07147	1.1
103.05473	4.7
104.05338	1.2
105.01862	9.4
105.07018	9.2
107.04951	1.3
107.08586	7.5
108.08131	1.3
109.02875	5.5
109.06507	12.8
109.10143	5.7
112.08719	1.7
115.07526	1.8
116.07101	1.6
117.07014	1.2
119.04926	1.8
119.08560	3.9
120.08092	100.0
121.06504	3.6
121.08434	1.2
121.10115	7.9
123.08068	1.4
123.11700	1.1
127.03912	12.7
127.08639	1.3
129.10249	6.3
131.08571	5.2
132.10197	4.7
133.02873	1.1
133.10126	28.6
135.08049	2.8
136.07536	1.8
137.05946	5.9
138.09021	1.2
139.11185	1.8
141.10216	2.1
143.11749	1.1
145.02827	3.1
145.05022	6.0
145.10098	3.8
147.04446	2.1
147.11650	11.8
149.06012	1.6
149.09579	1.7
149.13258	1.3
151.07509	1.2
151.11189	2.2
153.09082	6.3
154.08490	1.2
158.10881	1.6
159.02907	2.8
161.05995	2.0
163.07510	1.2
163.11147	1.6
163.14786	1.2
164.07013	1.7
165.10231	1.6
165.12726	2.9
166.08620	4.9
168.10181	3.1
171.10118	2.1
173.05882	1.3
173.13255	15.8
174.05640	1.4
175.14864	1.2
177.05460	6.9
178.09973	1.4
181.04857	1.2
181.08559	3.2
187.10811	2.1
191.14293	23.3
201.12372	3.5
209.11816	2.0
209.15343	41.2
210.15620	1.2
217.09711	1.4
219.14905	25.6
219.16939	1.9
225.14635	1.7
227.13034	5.3
227.16386	48.3
228.16891	1.2
231.04930	2.3
247.12775	6.1
247.14565	6.2
251.28574	1.1
261.16028	1.4
263.10266	5.4
276.13364	1.7
308.74203	1.1
348.70352	1.1
362.16815	6.1
394.19791	3.0
464.18369	1.5
474.16913	2.0
492.18091	3.3
492.30035	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	492.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
55.01867	5.0
55.05519	4.2
57.03424	1.6
57.07066	0.8
62.81634	0.7
67.05495	4.5
69.07068	3.1
69.62743	0.6
70.06585	1.5
71.51648	0.8
72.08123	0.8
79.05498	4.3
81.07050	22.2
83.04971	2.0
83.08625	2.1
84.08128	0.9
85.06508	0.8
86.09705	1.1
91.05474	2.2
93.07040	4.3
95.08614	5.2
97.06487	0.9
97.37486	0.6
105.07030	3.6
107.08587	4.0
109.06508	10.7
109.10126	2.6
111.04433	14.5
111.08080	1.1
113.05988	0.7
117.07034	0.8
119.04924	0.9
119.08559	4.3
121.06467	0.8
121.10134	3.6
123.08048	2.0
123.11739	1.6
125.05988	5.2
129.07066	0.7
129.10245	0.8
131.08551	2.5
133.10115	4.5
135.08044	2.6
135.11674	3.3
137.05969	100.0
137.13277	2.0
138.06245	0.6
139.07541	1.0
143.08549	1.1
145.10095	1.7
147.08051	1.8
147.11676	5.7
149.09622	3.9
149.13297	1.1
151.07541	2.7
151.11168	2.1
157.10129	2.1
159.11673	1.1
161.09615	8.2
161.13220	1.8
163.11185	3.3
163.14760	0.9
165.09113	1.8
165.12823	0.7
171.11765	1.3
175.11159	4.6
175.14766	1.6
177.12752	1.1
179.10651	2.0
181.12396	0.6
185.13225	0.7
189.12798	1.5
193.12260	0.8
198.05270	1.1
203.17938	5.9
205.39764	0.6
213.16412	2.2
216.06267	1.3
221.19009	1.6
223.14810	0.7
231.17422	7.9
241.15927	1.5
249.18440	6.9
253.96545	0.6
277.17975	48.8
278.18179	0.8
295.19031	15.8
320.22260	4.0
351.21622	72.5
352.21930	2.5
431.18271	1.4
486.80151	0.7
492.23474	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	492.2015
Annotation	Grossamide K
Peak:m/z	Relative Intensity
53.03940	1.4
55.01863	0.7
55.05494	1.4
56.05023	1.0
60.04520	0.5
65.03910	0.8
67.05499	1.1
69.03426	1.2
69.07062	0.8
70.06590	10.3
70.97833	1.4
71.06907	0.5
72.08150	4.9
74.06070	0.7
79.05486	1.9
81.03416	4.3
81.07040	2.0
81.44205	0.5
83.04964	1.0
84.04502	1.9
84.08152	4.0
85.02911	1.8
86.09704	8.6
87.00842	0.5
87.10057	0.5
91.05494	6.6
93.07037	5.6
94.04179	2.2
95.04969	5.2
97.02901	0.8
97.06475	0.7
99.04433	0.8
103.05460	7.3
105.06999	1.3
107.04958	1.8
107.08619	0.8
108.08090	0.5
109.02892	0.8
109.06530	1.1
109.10140	1.0
110.07166	2.2
112.08700	0.6
115.05449	6.7
117.03397	1.2
117.07018	4.6
119.04935	1.7
120.08106	5.3
121.06503	31.9
122.03645	4.6
123.04433	1.2
125.05938	1.0
127.03903	1.2
127.08694	0.8
129.10211	1.7
130.05037	1.0
130.06541	0.7
131.04916	5.1
132.10222	0.5
133.02818	0.6
133.10167	0.9
135.04468	0.7
135.08032	0.5
136.07552	1.9
137.05974	100.0
138.06320	1.5
138.09122	0.9
143.04930	5.3
144.05719	1.7
145.02872	2.9
145.06490	3.8
146.03667	2.4
146.05995	1.1
147.04436	2.8
147.08061	0.6
147.11604	0.7
149.05962	1.2
150.05533	0.5
151.03931	3.1
151.07516	0.6
151.11160	1.0
152.07008	1.0
153.05440	1.0
153.09119	1.6
160.05199	8.7
161.05984	7.1
162.06665	1.0
163.03886	1.0
163.07545	4.1
164.07072	4.6
166.08624	0.8
167.06996	2.5
167.14336	0.9
168.07397	0.8
168.10245	0.8
171.04457	1.0
172.05180	1.1
173.06041	0.9
173.13208	0.7
175.07550	30.4
176.07982	0.5
177.05473	4.7
177.09146	1.5
181.04948	0.7
187.07532	9.8
191.06967	0.9
191.08582	0.8
201.05389	2.8
203.07007	3.4
205.06636	1.0
205.08562	8.4
207.08174	0.9
209.15350	7.6
219.08035	2.3
219.10193	1.7
222.06770	0.7
223.07613	0.5
223.20589	0.5
227.16327	1.0
231.38293	0.5
233.06084	0.5
234.06723	1.4
235.07507	1.4
236.08194	1.0
237.09052	0.8
242.22639	0.5
242.80315	0.5
247.07692	1.3
248.08640	0.5
249.09079	0.8
251.10707	1.2
259.09760	2.2
264.07907	0.9
265.08582	1.7
267.06354	0.7
267.10251	0.8
270.08829	0.6
277.08569	1.3
279.07126	0.6
279.10129	3.6
280.10596	0.6
283.09732	1.9
284.10413	0.9
290.05679	0.8
292.07419	0.6
296.10379	1.1
297.11172	0.6
299.12918	0.9
305.08054	2.0
307.09686	1.4
309.11224	1.3
311.09244	0.7
311.12775	9.2
313.10794	1.0
323.09348	0.6
325.10818	5.4
331.11801	1.9
337.10611	3.0
338.13867	1.2
340.15411	3.6
355.11752	1.7
368.14914	1.3
371.14899	0.9
419.96558	0.5
429.57159	0.6
462.18976	3.0
474.18866	1.2
492.20349	6.2
492.29941	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	491.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.8
57.03425	15.7
65.68236	3.4
67.05501	55.1
69.07056	16.7
71.51881	4.7
75.13130	3.3
75.76245	3.1
79.05495	12.9
81.07047	54.5
83.08616	13.6
91.05481	12.1
93.07043	12.9
95.08612	43.3
97.10192	3.7
98.98460	75.9
99.58669	3.6
105.07010	8.2
107.08589	10.3
109.10153	18.3
119.08575	7.2
120.96539	3.5
121.10122	12.8
123.11662	7.4
133.10136	8.1
136.99902	4.2
147.11613	4.4
155.01021	71.3
161.13249	4.4
172.95306	4.4
175.14854	6.1
189.16531	3.6
190.96294	4.7
211.03619	6.0
228.14510	3.4
229.04761	6.1
245.22746	8.4
263.23697	14.2
274.77603	4.0
337.27335	100.0
337.31232	7.4
338.27652	4.1
381.15976	3.5
450.20352	4.7
473.26520	17.4
491.29803	68.4
491.36295	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	492.1867
Annotation	Demethylisoalangiside
Peak:m/z	Relative Intensity
53.03938	0.6
55.01859	0.6
55.05503	0.8
56.05013	1.3
57.03427	0.7
60.04516	0.6
61.01145	0.4
61.02896	1.2
63.02360	0.8
65.03921	0.7
69.03430	2.6
69.07051	0.7
69.91766	1.9
70.06593	7.2
72.08151	5.1
73.02890	0.6
77.03947	0.4
79.05457	1.1
81.03400	1.6
84.04491	1.9
84.08143	2.6
85.02898	6.7
86.09705	7.6
87.04435	0.5
87.05583	0.5
87.10037	0.6
88.04000	0.4
89.03910	8.1
91.05476	7.2
93.07024	1.1
95.04955	1.2
96.08126	0.4
97.02878	2.8
99.04464	0.5
103.05455	1.9
104.05302	0.6
105.06997	0.6
107.04938	2.2
108.08175	0.4
109.02866	0.6
110.07157	1.4
112.08708	0.4
117.03375	17.3
119.04938	5.1
120.08102	7.7
121.06499	3.0
122.03616	0.5
122.06015	0.5
122.09635	1.2
127.03908	1.6
129.10228	2.0
130.06526	0.5
131.08554	0.5
132.10194	0.6
133.02847	1.6
133.10153	0.6
134.03598	1.1
135.04414	14.8
136.07552	3.1
137.05972	11.8
138.09114	0.6
145.02840	44.9
146.03246	0.7
147.04401	1.3
149.05966	5.4
150.09085	0.6
151.07535	9.7
152.07085	0.5
158.05930	0.5
158.64252	0.4
161.05998	0.5
162.05566	0.5
163.03897	100.0
164.04274	1.2
164.07028	0.6
166.08603	0.8
168.10199	10.0
173.06047	0.8
175.03922	1.2
175.07597	1.1
177.05467	80.0
178.05823	0.8
186.05533	1.4
187.03975	0.5
201.05492	4.5
202.05801	0.9
209.02657	0.5
213.16115	0.6
237.80231	0.4
277.08408	0.4
279.10309	0.5
288.79453	0.4
299.13275	0.5
305.08035	0.5
325.10751	0.9
327.09827	0.5
330.13339	33.4
331.13635	1.1
339.09875	0.9
355.11981	1.6
474.16208	0.4
492.18860	3.4
492.29617	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	491.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	4.3
60.04517	2.1
69.03416	2.1
69.07056	2.1
69.20567	0.9
70.02947	1.5
70.06592	30.5
71.04990	1.9
71.06921	1.8
71.57130	1.1
72.08147	12.4
73.08473	1.1
74.06081	5.5
79.64300	0.9
81.03412	1.9
83.06062	1.2
84.04507	9.9
84.08139	15.1
85.02897	3.8
86.09705	23.9
87.05575	3.2
87.10023	1.5
88.04003	2.3
89.03918	5.6
91.05466	3.0
97.02882	1.0
101.07142	2.1
102.05532	3.8
104.05360	1.4
107.04964	1.3
109.02872	1.3
110.07160	4.7
112.08746	1.6
115.08685	1.7
116.07092	1.7
117.03369	16.4
118.03707	1.0
119.04913	2.1
120.08126	6.6
125.19385	0.9
126.09142	1.7
127.08644	1.0
129.10243	6.7
130.04970	1.4
130.06500	1.1
132.08043	2.1
134.03621	1.7
135.04387	2.0
136.07542	4.6
137.05969	1.5
138.09132	1.0
140.07014	1.2
143.11844	0.9
144.12236	0.9
145.02841	47.5
146.03201	2.5
147.04376	1.5
148.06033	1.6
149.06021	7.6
152.07076	1.9
155.11800	1.5
159.07967	0.9
159.09100	4.4
163.03963	1.7
169.13330	0.8
169.81670	1.0
173.09131	0.9
173.12793	0.9
177.05470	100.0
178.05887	4.3
186.05617	1.6
187.08923	1.0
188.07141	1.1
197.05130	0.9
200.13962	1.8
201.12415	1.7
203.10275	1.2
225.90628	0.9
231.09798	2.8
241.34232	0.8
245.11356	2.0
261.14444	1.8
301.61868	0.9
329.11832	2.8
339.10867	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	491.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.3
56.05038	4.6
59.80643	0.9
60.04515	2.7
69.03415	2.8
69.07058	2.3
69.78487	6.3
70.02979	0.9
70.06593	34.2
71.04976	1.4
71.06908	1.4
72.08157	12.5
73.08501	1.6
74.06084	5.7
81.03403	2.2
83.06107	1.9
84.04500	8.6
84.08138	16.9
85.02896	4.4
86.09706	26.0
87.05579	2.4
87.10021	1.7
88.03989	2.8
89.03905	6.6
90.91952	1.1
91.05459	2.9
101.07118	3.3
102.05525	3.3
104.05337	1.3
107.04930	1.4
110.07162	6.0
112.08720	1.7
115.08710	1.6
116.07064	2.1
117.03378	19.0
120.08102	8.2
126.09105	1.5
127.03919	1.2
129.10249	8.8
130.04977	1.8
130.06503	1.6
130.34361	1.0
132.08054	1.8
134.03622	1.5
135.04391	2.1
136.07529	5.3
137.05954	2.1
141.10222	2.1
143.11777	1.2
145.02844	48.5
146.03201	2.1
148.06097	1.4
149.06003	5.9
150.05498	1.3
152.07059	1.6
155.11836	1.4
159.07857	1.1
159.09119	5.6
163.03891	2.1
173.12820	1.8
177.05472	100.0
178.05733	3.1
178.34097	0.9
183.11356	1.1
186.05522	1.2
187.10881	1.2
201.12387	2.3
228.13429	1.5
231.09686	2.9
245.11316	1.9
293.74167	1.2
299.13538	1.2
309.78241	1.2
311.29044	1.1
321.09827	1.6
328.11807	1.1
329.11917	2.7
339.10727	4.2
406.73038	1.0
413.58514	1.0
441.26840	1.0
491.29318	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	492.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.8
50.82941	0.8
51.02391	1.0
53.03940	3.8
55.01869	1.7
55.05509	1.6
57.03430	1.0
65.03946	1.0
67.05479	1.5
69.07057	1.7
70.06582	3.3
70.85168	2.4
72.08160	1.8
74.52763	0.8
77.03886	1.0
79.05490	2.4
81.03403	1.6
81.07038	1.9
84.04486	1.1
84.08144	1.0
86.09690	1.9
89.03900	3.3
91.05481	17.9
93.07043	20.8
94.04183	1.9
95.04969	7.7
95.08562	1.5
96.91063	0.7
97.01204	0.7
97.10159	1.3
102.04683	1.3
103.05466	17.1
105.04501	2.0
105.07032	3.6
107.04945	2.4
107.86042	0.8
108.57683	0.8
109.06494	1.2
109.10142	1.2
115.05444	3.6
116.04760	0.9
117.03391	7.5
117.06983	1.6
119.04936	3.3
120.05708	2.3
121.06502	76.1
122.03648	5.3
130.04123	1.7
131.04945	2.6
133.06497	2.6
134.03551	1.2
135.04379	0.9
137.05972	76.8
143.04929	3.9
143.08479	0.9
145.02846	12.4
145.06490	2.3
145.10178	1.1
146.03627	1.5
147.04369	4.2
149.05980	4.7
150.06737	1.1
151.03920	3.5
152.61133	0.9
158.03613	2.6
159.04343	0.9
161.05981	6.6
162.06737	4.9
164.07094	1.5
165.06946	1.1
172.05197	1.3
173.05991	6.1
175.03929	3.4
175.07581	5.2
177.05482	24.8
177.06891	1.8
178.07794	3.0
179.08597	1.1
181.78893	0.8
186.03114	6.2
187.07434	1.3
189.05438	1.5
189.07008	5.3
194.07329	2.3
201.05469	51.7
203.06837	1.1
203.08702	1.0
205.06514	9.0
206.07236	6.7
207.06392	1.3
207.08134	1.1
213.05490	4.4
217.06462	4.2
218.07246	2.9
219.06244	1.7
219.08215	4.3
220.05092	1.1
221.05920	1.7
221.09671	1.6
222.06747	4.4
223.07483	1.7
227.06978	1.4
231.06470	3.5
232.05086	1.1
233.05971	10.4
234.06747	17.8
235.07489	5.9
236.08244	1.6
237.09102	7.3
239.07019	1.7
244.13168	1.4
245.05719	5.6
245.07909	2.8
246.06732	2.0
247.07521	3.5
248.08234	1.6
249.05556	2.1
249.09100	8.2
250.06322	7.7
251.07066	5.0
259.07495	1.1
261.05511	4.4
262.06244	16.9
263.07098	4.8
264.07932	4.6
265.08600	18.8
266.09308	2.5
273.05469	5.4
274.06265	2.8
275.06848	1.0
276.07755	1.9
277.05380	1.8
277.08563	21.5
278.05719	3.6
278.08832	1.5
279.06531	4.6
279.10150	3.0
280.07114	1.7
281.08264	0.9
282.08911	1.0
287.07025	2.5
289.04880	1.9
290.05722	20.7
291.06320	1.7
291.10291	1.5
292.07254	12.3
293.08060	18.1
294.08752	4.9
295.09610	1.7
297.11282	2.9
304.07220	1.7
305.08084	38.9
306.08820	2.0
307.06079	2.7
307.09583	25.2
308.10040	0.9
309.07858	1.6
309.11292	3.0
310.08359	3.3
319.09631	3.5
322.08221	4.7
325.10706	100.0
326.10989	1.8
337.10696	65.0
338.10764	1.9
355.11722	6.0
374.85373	1.0
381.58405	0.8
430.25354	0.9
444.64496	0.9
462.19128	50.0
463.19440	1.9
492.20245	22.2
492.26889	1.3
492.35599	1.4
493.13065	0.9
493.27835	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	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34824	2.3
53.56133	2.6
55.01862	4.4
55.05495	7.5
56.87887	2.5
57.03412	2.8
62.82439	3.4
67.05498	6.5
69.03435	15.2
70.06576	11.2
71.04979	7.6
71.13968	7.6
72.08133	4.8
72.60774	2.4
79.05487	6.8
81.03413	10.3
81.07045	10.0
83.04970	7.8
83.08615	7.2
84.04495	4.4
84.08130	4.5
85.02894	27.4
86.03201	3.1
86.09696	9.8
87.00825	10.0
91.05479	12.7
93.07046	13.2
95.04966	20.6
95.08597	8.2
97.02891	8.9
99.04440	17.1
100.11275	3.6
104.88662	2.7
105.01856	6.7
105.07019	7.9
107.04949	3.4
107.08598	43.1
109.02840	3.7
109.06512	12.4
109.10165	4.6
111.04444	4.4
119.08572	4.4
120.08111	5.1
121.06509	15.4
121.10149	14.5
122.06863	4.1
123.08063	100.0
123.11732	7.7
125.09634	30.3
127.03896	13.8
129.10205	4.0
130.04976	5.2
131.08556	4.6
137.05965	8.4
137.09636	3.9
145.06491	4.3
145.10120	3.8
147.04395	5.0
147.11757	4.6
149.05916	3.6
149.09615	35.5
150.09106	4.2
151.07532	8.6
161.05988	3.6
165.09142	8.5
165.12663	3.1
167.06982	3.1
167.10669	12.7
177.05428	3.7
189.12691	7.5
191.10657	7.5
201.05493	5.5
207.13789	12.7
217.58530	3.1
225.14841	77.0
230.13934	3.9
235.07457	2.9
235.13348	6.5
237.14955	6.5
249.14911	20.9
263.06845	4.2
265.08377	3.2
267.15939	5.4
291.15894	5.4
291.31009	2.6
315.15918	5.1
321.07538	5.1
323.09216	10.5
325.10562	3.5
352.09125	3.8
353.10300	13.9
437.17880	6.3
490.18073	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	490.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.5
55.05507	2.6
57.03439	3.7
60.08157	6.5
61.02912	1.4
67.05511	9.3
69.03436	4.4
70.06596	1.6
71.04979	2.0
71.07368	2.5
71.21716	2.8
77.19751	1.4
79.05489	35.4
81.03415	7.9
81.07048	9.6
85.02892	4.6
86.09703	31.5
91.05489	4.2
93.07043	5.5
95.08617	18.0
97.02889	3.0
98.98495	2.4
99.08076	1.9
104.04956	2.2
104.10756	1.7
105.07021	6.7
106.06448	1.5
107.08586	49.1
107.09311	2.8
109.06520	1.8
109.10110	9.0
114.48006	1.9
119.08574	8.0
121.10149	5.0
123.08064	2.6
123.72775	1.7
124.25856	1.3
124.99996	22.8
127.03928	3.0
132.04437	16.1
133.10147	7.1
149.04712	4.3
149.13252	42.2
150.05502	52.3
151.14841	8.0
161.13234	11.0
162.05586	6.8
172.95299	1.8
178.05006	8.8
179.14299	15.6
180.06499	2.2
184.07332	100.0
186.05522	3.7
188.06932	1.5
200.06953	2.2
202.08484	1.5
212.07037	18.1
228.97881	1.9
230.11752	20.5
240.10117	2.6
287.57159	1.8
310.17990	55.5
328.19043	39.4
388.65240	1.9
392.16653	1.6
472.17841	2.2
472.23462	2.1
490.23944	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	490.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.05507	6.3
57.03433	7.6
58.06325	1.6
58.06596	26.2
64.02991	0.9
65.03908	0.9
67.05502	28.9
69.07062	7.4
71.51545	0.9
75.64905	1.0
79.05486	14.9
81.07053	23.8
83.08601	3.8
91.05469	6.9
92.30655	0.9
93.07040	16.7
95.04942	1.2
95.08595	21.1
104.10661	1.1
105.07014	3.8
107.08596	6.4
109.10164	6.4
119.08549	3.2
121.10146	6.2
123.11648	1.7
129.37619	0.9
131.08575	2.3
133.10118	2.4
135.11688	2.9
144.73996	0.9
145.10156	1.7
147.11620	1.1
149.13258	1.8
155.80246	1.0
156.04213	4.4
183.80444	0.9
230.07687	1.1
261.22192	0.9
306.80801	1.0
335.25772	100.0
336.26129	2.6
403.76926	1.0
403.83444	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	490.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01862	2.7
55.05499	3.1
56.05025	4.8
60.04517	5.0
65.92399	1.8
67.57169	1.8
69.03422	6.6
69.07053	5.2
69.66685	13.9
70.06596	28.0
72.08155	16.4
74.06065	5.2
74.37278	1.8
79.05504	2.3
81.03404	8.5
81.07049	4.4
84.04516	14.0
84.08144	16.1
85.02907	29.9
85.04822	2.4
86.09706	65.4
87.00832	3.6
87.05569	2.6
87.10033	10.4
88.03989	6.2
90.76948	1.7
91.05462	9.7
93.07043	3.2
95.08583	2.5
97.02878	7.1
98.20767	3.8
99.04459	2.3
102.05536	6.0
104.05313	2.4
105.07053	11.4
107.04945	10.5
107.08559	2.7
109.02898	2.9
109.10230	2.5
109.18853	1.9
110.07171	4.9
116.07103	3.4
117.03296	2.1
117.06990	2.8
119.04896	2.4
119.08574	17.6
120.08097	14.7
121.10120	3.7
123.11714	16.9
127.03905	5.4
129.06958	1.9
129.10272	11.2
130.06517	7.7
131.04739	1.9
131.08510	3.1
132.08078	5.5
132.10240	3.0
133.06494	6.6
136.07576	7.1
137.05974	30.9
143.11774	5.3
144.08058	5.9
145.02837	6.7
145.10144	14.9
147.11702	24.4
149.09618	2.9
152.07047	3.1
155.11815	3.3
156.09325	4.3
156.43962	2.0
159.07906	3.7
159.09187	10.2
170.06007	5.5
171.11519	5.5
173.12856	9.6
174.10374	3.4
175.07562	2.3
177.05484	12.7
181.06064	3.1
186.12331	1.8
187.08681	3.1
189.12737	100.0
200.14247	3.8
201.12311	2.8
207.13826	21.2
217.08186	5.0
218.08481	2.6
225.14842	6.0
245.07622	11.9
245.18582	4.1
246.08046	8.4
246.18979	4.3
255.14836	5.2
272.17712	10.5
282.60135	2.1
290.17175	3.0
300.17154	4.2
328.11685	4.7
359.16309	2.2
366.13275	4.3
472.27594	2.1
490.17615	2.1
490.30017	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	490.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
56.05030	0.4
57.03428	0.5
60.04524	1.7
60.31657	0.3
61.01149	0.3
63.02378	0.4
69.03412	1.5
69.07055	0.7
70.02950	0.5
70.06585	7.2
71.59496	0.7
72.08147	4.1
74.06067	1.5
78.02985	0.4
79.02400	0.3
81.03401	1.1
84.04502	2.8
84.08131	3.6
85.02892	3.2
86.09701	7.4
87.05579	0.7
87.10032	0.5
88.03977	1.6
89.03902	4.0
89.04401	0.6
91.05457	1.9
97.02874	1.2
97.07684	0.4
101.07136	0.7
102.05542	0.9
105.06595	0.6
107.04906	0.6
109.02882	0.5
110.07147	1.5
115.05467	2.0
116.07022	0.4
117.03374	14.8
119.04937	1.1
120.08092	1.1
123.04435	0.8
127.03899	0.9
127.08688	0.4
129.10233	2.2
130.04926	0.4
130.06544	0.5
134.03572	0.4
135.04407	1.9
136.07564	1.6
137.02351	0.6
137.05963	1.3
141.10114	0.3
143.04898	1.9
143.11781	0.8
144.06517	0.3
145.02837	45.0
146.03183	0.5
147.04338	0.9
149.05966	5.8
152.07077	1.1
158.06038	0.4
160.03888	0.4
161.05965	3.5
162.05469	0.4
163.03844	1.0
164.06975	0.5
166.04977	0.5
171.11230	0.4
173.12842	0.4
175.07462	0.4
176.07072	0.4
177.05460	100.0
178.05849	1.3
185.09253	0.4
186.05508	1.5
187.14436	0.5
192.06514	0.5
201.12378	0.7
204.06573	3.7
215.13905	0.6
216.09872	0.6
272.16074	0.7
275.16013	0.5
328.11774	21.3
436.00830	0.4
473.12869	0.5
490.16992	1.8
519.58527	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	490.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01868	3.7
55.05508	3.0
56.05033	2.0
56.84971	1.2
57.03438	1.9
58.99580	1.4
60.04517	2.4
60.44479	1.1
61.02931	2.7
65.03938	1.6
67.05499	2.0
69.03424	8.4
69.07054	4.1
70.02964	4.4
70.06593	19.3
70.57082	1.2
70.76765	2.2
71.04996	1.5
72.08158	10.1
72.45134	1.3
73.02921	1.7
74.06097	1.4
79.05496	2.7
81.03411	6.4
81.07050	3.5
83.04980	1.9
83.06094	1.5
84.04504	5.6
84.08138	9.9
85.01141	2.3
85.02904	16.6
86.09703	18.9
87.05587	1.7
87.10048	1.6
88.02219	6.6
88.03992	45.2
89.03925	1.4
91.05474	15.4
93.03425	2.2
93.07056	4.3
95.04980	1.7
95.08614	1.5
97.01098	1.2
97.02868	6.1
99.04473	1.7
99.10293	1.1
102.03786	1.3
102.05553	2.3
103.05443	2.2
104.05323	2.0
105.07040	8.9
107.04961	23.5
107.08614	4.3
109.02865	2.8
109.06535	1.6
109.10179	1.6
110.07194	1.7
115.05446	4.5
117.03408	3.3
117.07016	3.7
119.04948	29.6
119.08576	29.3
119.09377	2.0
120.08131	5.6
120.14738	1.1
121.06505	3.6
121.10126	2.6
122.02765	4.2
122.03664	3.6
123.08038	1.9
127.03884	2.1
129.10226	4.5
130.05075	1.3
130.06573	1.7
131.01599	2.3
131.04936	3.9
131.08575	2.0
133.02869	1.8
133.06540	6.0
133.10149	14.4
135.04436	2.3
135.08087	2.1
136.07549	9.4
137.05977	71.0
137.09619	3.0
137.32933	1.4
143.04906	3.3
143.08559	1.7
144.06653	1.3
145.02812	9.1
145.04919	2.5
145.06500	2.5
145.10150	10.9
147.04424	1.4
147.08040	5.3
147.11682	13.7
148.04245	3.0
149.04231	4.7
149.05952	2.2
149.09615	2.8
151.02153	3.7
152.07056	4.5
156.09396	2.9
159.08012	1.6
159.11560	1.5
160.05273	3.2
161.05980	4.4
161.13252	2.3
162.05528	5.3
163.03949	3.9
163.07608	1.8
163.11174	51.0
164.07117	1.8
165.06995	3.6
166.08696	1.9
167.05283	20.4
171.11696	5.3
173.06100	1.3
173.13229	2.2
174.10440	1.3
175.07552	8.0
177.05467	17.1
177.12741	10.6
178.05046	1.4
183.08006	2.9
187.07564	5.1
187.11122	1.5
189.12746	53.3
191.14317	6.7
201.12410	2.0
203.07143	1.9
204.06589	1.4
205.06842	1.3
205.08629	4.0
206.15509	1.3
207.13843	3.1
208.09630	1.4
211.07533	3.2
217.13457	2.4
218.08250	2.1
221.09935	3.1
223.11505	33.8
232.02756	1.3
239.11011	8.8
242.38188	1.5
243.10178	3.6
245.12965	2.1
255.09016	1.9
260.09106	2.5
266.72763	1.4
281.27020	1.4
309.11166	1.3
310.14706	100.0
311.12354	2.6
311.15393	2.6
328.11792	17.5
328.15790	30.8
336.12296	2.5
338.13995	1.7
340.11591	1.5
366.13354	7.6
401.15881	1.2
429.12216	1.5
444.95560	1.4
490.18826	9.4
490.26053	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	489.3573
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03944	2.3
55.01867	1.8
55.05511	16.6
57.03438	4.6
57.07080	2.6
57.60615	1.8
65.03934	2.6
67.05503	61.2
69.03453	2.1
69.07069	15.9
71.04982	3.7
71.58978	2.6
74.34605	1.6
79.05494	30.8
81.03391	1.8
81.07059	38.4
83.04964	3.0
83.08607	7.9
83.79609	1.5
84.78826	1.6
86.03529	1.5
91.05479	25.1
91.88514	1.6
93.07041	36.4
95.04955	2.7
95.08603	29.3
97.06527	4.0
97.10177	4.9
105.07042	21.0
107.08598	20.5
109.06550	1.7
109.10150	34.2
109.10841	2.6
111.08122	3.2
117.07021	9.9
119.08580	31.9
121.10160	18.2
123.11737	2.9
125.18959	1.6
129.07033	5.4
131.08565	19.7
132.36331	1.7
133.10123	19.3
135.11690	13.7
137.09674	2.7
139.11211	2.5
143.08582	7.7
145.10109	17.3
147.11691	12.4
147.95049	1.7
149.09660	2.4
149.13318	5.3
155.08551	3.7
157.10173	7.3
159.11696	16.3
161.13193	8.4
163.14989	1.8
169.10172	3.0
171.11754	7.3
173.11775	7.9
173.13322	11.3
175.14812	3.4
183.11710	3.6
185.13268	4.6
187.14873	5.1
197.13228	4.4
199.14886	2.8
201.16473	2.0
210.49437	1.7
211.14899	2.2
213.14780	2.9
221.75569	1.6
231.17499	2.6
259.20682	3.8
261.22137	2.8
271.20908	2.6
285.22083	3.3
299.23441	1.9
317.24808	2.3
377.27185	2.5
379.29987	11.6
383.55005	1.7
391.28366	2.9
397.31064	21.6
415.32065	4.9
471.34845	16.9
489.35861	100.0
490.35898	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	489.3572
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03941	3.4
55.05511	15.8
57.03427	4.9
59.05005	2.0
65.03931	3.2
67.05502	80.2
69.07057	17.4
69.85436	7.1
71.04987	4.2
71.12562	1.2
79.05491	34.7
81.07051	41.6
83.04966	2.2
83.08614	10.0
85.06520	3.7
91.05472	24.9
93.07036	36.0
95.04960	5.9
95.08605	33.3
97.06515	3.1
97.10186	3.2
105.07037	21.8
107.08591	21.0
109.06522	2.1
109.10152	55.5
111.08086	2.1
117.06994	11.7
119.08579	29.5
121.10133	17.5
123.11694	2.3
129.07016	4.2
131.08542	16.8
133.10107	15.6
135.11684	11.2
137.09633	3.0
139.11200	2.6
143.08586	5.1
145.10110	15.6
147.11687	13.2
149.09639	1.9
149.13277	4.9
155.08568	2.4
155.10699	1.4
157.10147	5.3
159.11700	12.2
161.13254	7.4
163.14880	2.6
169.10156	3.1
171.11705	4.5
173.11749	13.5
173.13280	10.3
175.14844	2.6
183.11748	4.0
185.13295	5.3
187.14867	4.6
197.13315	2.1
199.14833	3.0
211.14868	2.2
213.16469	2.3
223.14662	1.6
228.28830	1.5
239.18091	1.5
241.19611	1.4
243.21075	2.7
259.20535	2.4
261.22189	4.0
273.22290	2.1
277.21921	2.0
285.22076	1.9
299.23721	2.3
311.23932	2.2
379.29919	10.7
391.28500	2.5
397.31018	13.5
415.32114	5.3
471.34698	13.8
489.35797	100.0
490.36157	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	489.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.6
57.03424	10.8
57.07076	4.6
58.23125	2.1
67.05502	49.2
68.63612	2.7
69.07077	13.2
69.82468	12.7
69.82868	3.9
71.04977	3.2
79.05489	40.6
81.06599	4.3
81.07051	69.3
83.04968	3.2
83.08613	5.9
91.05477	18.3
93.06493	3.8
93.07040	45.4
95.04975	4.5
95.08602	51.1
97.06513	4.7
97.10142	4.0
98.98460	65.9
104.10707	3.2
105.07027	19.1
107.08595	35.6
109.06503	2.5
109.10151	21.1
111.08108	2.7
116.99429	2.6
117.07004	8.2
119.08569	19.6
121.10136	27.2
123.11721	7.9
131.08578	16.3
133.10133	14.4
135.11719	20.6
136.99934	3.9
137.13226	4.9
145.10097	14.6
147.11656	11.3
149.09564	3.5
149.13246	12.4
155.01038	65.6
159.11653	9.2
161.13254	5.2
163.14798	7.0
173.13191	7.4
175.14761	6.5
187.14792	8.0
201.16306	3.3
211.03647	4.2
229.04695	7.3
233.22542	2.7
243.21065	20.5
261.22137	37.7
270.43787	2.4
277.21881	2.5
291.22641	2.4
317.24667	15.8
327.05179	3.1
335.25778	100.0
390.27582	2.3
415.22452	2.7
443.35049	4.0
471.25415	12.5
489.35571	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	489.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03839	3.5
55.01875	5.6
55.05508	22.2
57.03434	28.2
57.07074	86.4
61.02903	6.3
62.28529	3.7
63.28085	3.6
67.05502	75.8
69.03423	15.7
69.07074	27.8
69.90682	24.3
71.01353	39.9
71.08625	68.9
73.02557	5.1
73.02917	50.6
75.04474	4.4
79.05484	20.8
81.07059	60.0
83.04992	4.3
83.08609	38.7
85.02903	87.7
85.10177	38.1
91.05477	11.8
93.07036	14.7
95.01315	16.3
95.08600	80.1
96.52184	3.4
97.02885	38.6
97.10162	16.1
99.00816	9.6
99.04423	4.8
101.02354	11.1
103.03931	10.9
105.07019	11.5
107.08595	12.7
109.10143	53.7
111.11725	8.9
113.02353	42.1
113.13309	3.5
116.34638	3.9
119.08562	12.6
119.70636	3.5
121.10103	6.4
123.11699	15.1
125.13241	4.0
131.03412	26.5
131.08545	11.3
133.10130	8.1
137.13203	8.5
141.01797	37.4
145.04968	7.4
145.10139	6.4
151.14832	4.3
152.99135	4.0
159.02843	11.6
159.06468	9.0
159.11662	5.1
169.04953	9.6
173.11737	9.3
197.04480	8.4
215.05402	19.0
220.16319	3.8
221.22650	5.5
239.23695	68.1
313.27344	100.0
355.28412	15.9
379.30157	6.1
397.31308	4.8
471.35315	5.9
489.29504	29.9
489.36880	36.4
493.88828	3.8
498.94067	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	489.3573
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03931	3.3
55.01866	1.3
55.05512	17.0
57.03418	3.7
57.07060	3.2
59.05002	2.2
65.03949	2.9
66.50700	1.1
67.05505	79.8
69.07064	16.2
71.04993	2.2
71.61566	2.0
74.90438	1.0
79.05489	27.4
81.06594	1.8
81.07056	34.9
83.04963	2.1
83.08615	9.9
85.06521	1.9
91.05478	21.4
93.07040	33.3
95.05001	2.4
95.08604	27.7
96.37447	1.1
97.06526	3.5
97.10164	2.8
105.07031	21.7
107.08585	17.9
109.10154	42.9
111.08077	2.6
117.07031	7.9
119.08577	23.5
121.10147	15.1
123.11690	1.3
125.09616	1.8
129.06982	4.1
131.08574	13.4
133.10123	16.1
135.11661	9.4
137.09619	3.2
141.06946	1.8
143.08534	3.9
145.10118	15.4
147.11688	12.7
149.13254	3.6
155.08513	2.6
155.10641	2.4
157.10135	5.7
159.11705	10.6
161.13237	7.7
163.14861	2.3
169.10101	2.4
171.11690	4.1
173.11743	12.6
173.13281	10.0
175.14864	2.3
177.12729	1.5
183.11682	2.8
185.13289	4.2
187.14885	3.4
189.16553	1.5
195.11617	1.3
197.13321	2.0
211.14835	1.5
213.16508	1.8
225.16333	1.4
241.19624	1.3
259.20480	2.0
261.22119	4.1
265.27191	1.1
271.20599	1.6
285.22150	2.5
297.22330	1.5
317.24753	1.6
377.26810	2.5
379.30212	7.6
397.31091	10.2
415.32150	3.9
433.33127	2.3
471.15875	1.4
471.34628	12.5
489.35764	100.0
490.36118	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	488.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.4
67.05484	15.2
69.03419	15.3
69.07051	15.8
69.60722	5.6
70.06579	24.5
71.04978	5.6
72.71409	6.0
79.05484	23.5
81.03407	5.4
81.07035	21.7
84.04475	8.4
84.08131	11.0
85.02887	19.4
86.09223	9.8
86.09705	100.0
91.05486	15.8
93.07050	31.7
95.08578	16.5
97.02909	6.1
105.07007	9.9
107.08581	23.2
109.10181	9.7
119.08562	12.6
120.08079	10.9
121.06504	17.3
121.10129	8.0
123.29862	5.4
127.03916	5.5
132.10210	47.8
133.10085	9.4
135.11694	25.6
137.05956	13.0
145.06386	7.3
147.07777	7.3
149.02324	7.3
149.13245	24.8
163.03963	11.9
164.07066	5.6
167.07097	9.6
177.05431	7.5
177.12741	13.3
201.05478	7.0
262.21643	13.6
308.22220	79.6
323.09158	6.0
326.23187	19.7
351.08655	11.7
394.53223	6.5
488.17300	8.4
489.16977	9.2
492.00891	5.5
492.09564	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	489.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.7
57.03430	15.7
57.07072	6.0
58.39473	2.4
65.03930	4.5
67.05500	73.2
69.07053	16.3
79.05074	3.7
79.05490	37.2
81.07046	64.0
83.08623	8.6
91.05481	26.0
93.07036	56.1
95.04979	4.1
95.08600	52.1
97.06529	4.1
97.10155	6.4
98.98463	69.1
105.07016	20.7
107.08588	34.0
107.13662	2.6
109.10136	25.4
111.08099	4.8
115.74873	2.3
117.07017	8.5
119.08565	18.2
121.10144	29.3
123.11707	10.9
125.09556	3.0
129.06970	3.7
131.08549	22.0
133.10135	16.4
135.11703	18.6
137.00015	5.7
137.09587	3.0
137.13194	4.6
143.08606	3.4
145.10132	15.9
147.11664	13.3
149.13229	12.3
155.01036	65.0
155.02237	5.1
159.11720	13.9
161.13251	8.8
163.14845	6.7
171.11591	4.0
173.11844	3.8
173.13264	11.1
175.14850	2.9
177.16353	3.4
183.11699	2.5
184.03111	2.6
187.14850	9.0
211.03654	5.6
211.14796	2.9
229.04660	7.9
229.41257	3.1
243.21008	19.2
261.22052	36.0
277.21698	3.1
299.23605	5.4
317.24789	17.7
335.25772	100.0
339.38028	2.8
415.22540	5.9
471.25284	14.2
489.35925	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	488.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01863	0.6
57.03418	0.3
57.07071	1.3
61.02902	0.2
65.03927	0.7
67.05463	0.4
67.21081	0.2
69.03430	1.4
70.06586	0.4
71.05012	0.3
72.08138	0.2
73.02917	0.3
79.05493	0.3
81.03416	1.9
81.07042	0.4
83.01328	0.2
84.04478	0.3
84.08118	0.4
85.02907	2.5
86.09653	0.3
87.00825	1.1
87.01270	0.3
91.05469	0.8
93.03387	0.2
93.07059	0.4
95.04958	0.2
95.08587	0.3
96.08999	0.2
97.02887	1.4
99.04486	0.5
103.05498	0.4
105.01848	0.7
105.07024	0.2
107.05003	0.2
108.04469	0.3
109.02862	1.4
111.04446	0.3
120.05722	0.3
120.08056	0.3
121.02869	2.5
121.03804	0.2
121.06490	1.8
126.05464	0.3
127.03912	1.5
128.27113	0.2
137.05991	0.4
145.04987	0.7
147.04433	0.3
147.11659	0.2
149.02333	100.0
150.02690	1.0
159.02876	0.5
163.03865	0.6
164.04201	0.3
167.03397	1.6
190.04999	0.8
201.05470	0.7
205.08583	4.3
205.10387	0.4
223.09642	14.1
224.10097	0.3
231.05052	0.3
239.06839	0.2
260.66696	0.2
265.05017	0.3
308.06750	1.8
326.17563	0.3
351.08667	2.3
417.69754	0.2
488.16977	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	488.2853
Annotation	Broussonetine X
Peak:m/z	Relative Intensity
53.03931	3.2
55.01852	1.5
55.05489	1.5
57.07087	0.9
67.05497	3.3
69.03407	1.0
69.07075	5.4
70.78421	2.3
77.03963	1.0
79.05476	9.0
81.07046	7.1
85.02869	1.4
86.09702	61.5
91.05482	17.3
93.07042	35.8
94.07341	1.4
95.04959	6.8
95.08610	2.2
103.05462	15.2
104.05812	1.0
105.04494	1.6
105.07032	1.5
107.08598	8.1
117.07013	2.2
119.08559	1.5
121.06503	97.9
121.10120	2.4
121.39499	1.0
122.06808	3.7
131.08542	2.1
132.10207	31.7
133.10095	6.1
135.08078	1.2
135.11687	14.2
137.05905	0.9
141.03358	3.9
141.79926	0.9
149.13252	10.0
151.14809	1.9
159.11629	2.1
164.07022	5.9
177.12718	6.8
186.03000	1.0
191.07033	8.0
194.07254	1.7
201.05371	100.0
202.05759	5.4
205.06523	3.7
211.07538	1.2
219.07986	1.7
220.05214	6.2
221.05942	3.0
222.06761	3.3
233.05925	1.9
234.06755	2.5
235.07516	11.0
237.05536	1.4
237.09128	11.0
239.07152	1.2
244.06004	3.5
247.07527	1.5
248.04729	4.5
249.05469	5.0
250.06195	3.7
262.21640	10.5
263.07062	14.7
264.07623	2.1
265.05048	3.6
265.08600	17.9
266.09158	2.0
267.06497	2.3
280.07260	4.6
281.08047	1.2
282.08853	29.0
283.09247	2.1
291.06494	15.0
295.09625	1.5
297.11224	19.6
308.06784	3.1
308.22180	52.3
309.22598	1.9
313.10818	2.2
323.09131	44.9
323.12943	2.2
324.09555	3.6
326.23218	6.5
336.06445	1.0
351.08582	3.9
364.11792	10.1
365.12222	1.5
410.15747	1.2
460.17557	25.3
461.17987	2.1
488.17059	11.7
513.81274	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	487.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
53.97456	0.1
55.01854	0.3
55.05494	0.2
56.05033	0.2
57.03435	0.3
61.02906	0.3
63.02370	0.4
69.03090	0.2
69.03429	3.0
70.06586	2.2
70.58088	0.1
71.05006	0.1
71.06911	0.2
72.08143	1.0
77.03908	0.1
79.05487	0.7
81.03400	0.5
83.06145	0.1
84.04517	0.8
84.08122	1.2
85.02902	3.0
85.08459	0.2
86.06042	0.1
86.09218	0.2
86.09700	2.2
89.03909	5.9
91.03889	0.2
91.05466	0.3
95.04953	0.2
97.02886	1.5
99.04437	0.2
102.05556	0.2
107.04946	1.5
109.02867	0.5
110.07131	0.3
117.03370	6.6
119.04919	0.2
120.08080	0.5
124.07571	0.2
127.03912	1.6
129.10199	0.8
130.05045	0.2
131.04887	0.1
133.02824	1.2
135.04404	15.0
136.04732	0.2
136.07565	0.3
137.05945	0.4
140.25304	0.1
145.02832	11.3
145.04881	0.5
147.04375	0.2
149.05986	0.6
150.06743	0.1
152.07018	0.2
161.05977	0.1
163.03886	100.0
164.04211	1.1
165.05499	0.3
175.03864	0.6
177.05457	0.4
181.04939	1.3
190.04971	0.2
199.14268	0.1
201.05478	0.2
201.12218	0.2
293.08157	0.1
307.08154	1.4
325.08655	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	485.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
57.03427	7.3
57.07076	23.3
67.05500	6.0
69.07033	4.4
69.83096	13.1
70.88946	2.2
71.08615	16.5
81.07039	7.0
83.08623	6.4
85.10167	8.2
89.06056	2.4
95.08604	10.0
98.20657	2.5
98.98455	9.6
109.10155	3.5
123.11623	2.3
144.09230	2.5
155.01047	4.4
189.78822	2.5
194.29755	2.0
239.35580	2.7
313.27325	100.0
324.00830	2.2
343.83224	2.4
449.26572	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	486.1547
Annotation	SCHEMBL5971552
Peak:m/z	Relative Intensity
51.02365	0.4
53.03945	2.6
55.01866	0.4
55.05492	0.5
55.27172	0.3
63.79927	0.4
67.05499	0.7
69.36976	0.7
69.37381	3.5
70.06593	2.0
72.08144	0.9
76.02212	0.5
76.33725	0.4
77.03928	1.2
78.25956	0.4
79.05471	1.4
81.03429	0.8
81.07056	2.2
84.04507	0.6
84.08132	1.2
85.02901	0.8
86.09693	1.7
89.21169	0.4
91.05478	15.4
92.05827	0.4
93.07040	18.9
95.04959	7.0
95.08592	0.9
97.02817	0.4
103.05461	16.1
103.06163	0.8
104.05815	0.5
105.04511	1.5
105.07021	0.6
107.04941	1.9
107.08555	0.6
109.06468	0.4
109.10149	0.7
116.01727	0.5
116.10778	0.5
119.04932	0.4
119.08582	0.5
120.08099	0.5
120.37601	0.4
121.06499	100.0
122.06828	1.8
129.10258	0.5
130.05002	0.7
133.10155	0.9
135.08040	0.7
135.11678	0.6
136.07605	0.6
137.06020	0.9
140.05287	0.9
144.01073	0.5
145.02756	0.4
159.62927	0.4
161.13397	0.4
162.02217	0.7
163.03889	0.7
177.05498	0.5
184.07434	0.5
207.06551	1.0
214.18034	1.6
235.07539	0.4
238.06306	0.7
239.07079	0.6
253.08626	0.7
260.07150	0.8
263.07040	0.9
264.07550	0.5
265.04941	0.6
270.11316	1.6
278.08237	0.5
280.07156	0.6
288.06796	0.6
291.06470	1.2
305.06918	1.0
306.04739	0.7
306.07828	0.9
308.06775	1.3
316.06134	1.4
323.08865	1.9
324.06204	0.7
334.07129	3.6
335.09329	0.8
339.17474	2.8
348.08710	3.2
349.07181	1.3
350.06631	1.6
351.08493	2.1
352.12000	0.8
366.09698	20.1
367.10059	0.7
380.11142	2.7
388.19763	0.7
392.11249	0.8
486.15466	59.7
487.15402	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	487.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.1
53.03931	0.4
55.01861	0.3
55.05494	0.3
56.05029	0.3
57.03418	0.2
60.04515	0.2
61.02910	0.5
63.02358	0.3
65.03943	0.1
67.05522	0.1
67.86658	0.1
67.97089	0.1
69.03427	3.1
69.07050	0.6
69.88178	0.8
70.06590	2.7
71.04980	0.2
71.06902	0.2
72.07761	0.2
72.08154	2.3
73.02910	0.2
74.06055	0.2
75.60448	0.1
79.05471	0.8
81.03411	0.8
81.07061	0.3
83.04974	0.2
83.53353	0.1
84.04495	1.3
84.08146	1.7
85.02908	3.2
85.03434	0.2
86.09702	8.6
87.05576	0.2
87.10027	0.6
89.03912	5.1
91.03928	0.3
91.05457	0.5
93.07008	0.1
95.04967	0.4
95.08581	0.2
97.02892	1.3
99.04439	0.2
101.07162	0.2
102.05527	0.4
103.05461	0.2
105.07025	0.2
107.04951	1.7
107.08589	0.1
109.02880	0.3
110.07158	0.8
116.07084	0.1
117.03374	6.0
119.04895	0.4
119.08560	0.1
120.08083	1.4
121.10118	0.1
123.04390	0.2
125.47993	0.1
127.03897	1.4
129.10245	1.3
130.06534	0.1
132.10185	0.3
133.02844	0.5
135.04410	15.7
136.04732	0.4
136.07555	0.5
137.05966	0.3
143.11795	0.2
144.06566	0.2
145.02840	10.8
145.04782	0.3
146.03204	0.3
147.04404	0.4
149.05943	0.2
158.06050	0.2
159.09177	0.3
161.05939	0.2
162.07637	0.4
163.03896	100.0
164.04227	2.1
164.07063	0.2
170.05875	0.1
173.12878	0.2
175.03847	0.2
177.05597	0.3
181.04947	1.5
183.11346	0.2
185.16560	0.3
186.05495	0.4
197.12888	0.2
199.18018	0.7
201.05438	0.3
213.15927	0.2
226.15495	0.1
227.17569	0.9
229.09300	0.2
229.15509	0.2
243.13478	0.6
246.11967	0.1
261.14478	0.6
275.15930	0.3
307.08112	1.1
325.08951	1.6
365.85196	0.1
401.01288	0.1
487.06186	0.2
487.15121	0.2
487.21490	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	487.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03935	0.4
55.01864	0.3
55.05498	0.5
56.05017	0.3
57.03425	0.2
57.72025	0.2
60.04510	0.4
61.02914	0.4
63.02360	0.2
65.03904	0.2
69.03426	2.9
69.07052	0.3
70.06596	3.7
71.04988	0.2
71.51369	0.2
72.08151	2.0
73.02884	0.3
74.06063	0.3
77.03963	0.2
79.05490	1.1
81.03395	0.8
83.06091	0.4
84.04516	1.5
84.08144	2.3
85.02905	3.4
86.06071	0.5
86.09165	0.2
86.09703	3.9
87.05592	0.4
88.04009	0.2
89.03913	5.7
91.05462	0.5
95.04953	0.7
95.50470	0.1
97.02894	1.1
98.97593	0.2
99.04472	0.3
100.07587	0.2
100.08588	0.1
101.07139	0.2
102.05533	0.4
103.05451	0.2
107.04950	1.8
108.83569	0.1
109.02864	0.5
109.05682	0.1
110.07126	0.8
116.07082	0.3
117.03375	7.5
119.04908	0.4
119.98362	0.1
120.08109	1.1
121.41074	0.1
122.81586	0.1
127.03907	1.8
129.06531	0.2
129.10234	1.7
130.04999	0.5
130.08568	0.3
132.10239	0.2
133.02849	0.9
135.04411	15.0
136.04730	0.2
136.07579	0.7
137.05962	0.6
141.10243	0.2
143.11717	0.3
144.04449	0.2
145.02843	10.0
145.04926	0.6
145.09790	0.2
147.04414	0.5
149.05959	0.3
152.07057	0.5
163.03897	100.0
164.04231	0.7
164.06960	0.2
171.11281	0.2
172.03983	0.2
173.09215	0.2
175.03912	0.5
177.05505	0.3
181.04973	1.5
186.05502	0.4
190.05017	0.3
197.12885	0.3
200.14075	0.2
201.05528	0.2
207.06535	0.2
214.15503	0.2
226.11832	0.2
229.15468	0.4
267.91632	0.2
307.07974	0.9
325.08893	1.5
339.16510	0.2
373.20001	0.3
418.74997	0.2
427.16388	0.4
445.17429	0.2
469.27545	0.3
487.21426	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	486.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05503	6.9
62.10517	2.0
66.99509	2.0
67.05500	21.7
69.03413	5.6
69.07052	10.4
70.06573	3.7
71.07652	3.3
76.12230	2.0
78.87662	2.1
79.05486	17.3
80.27140	1.9
81.03397	7.7
81.07052	42.7
83.08597	2.3
84.04488	2.8
84.08133	2.8
85.02907	20.1
87.00816	5.0
91.05470	27.4
93.07043	24.6
95.04948	2.6
95.08599	57.3
97.02881	6.0
99.04444	4.1
105.01856	7.7
105.07023	67.6
107.08590	37.6
109.02883	8.9
109.10149	34.1
110.89887	2.3
113.54433	2.0
119.08578	41.5
121.10144	15.6
123.11676	9.3
127.03901	13.8
131.08560	2.5
133.10115	25.5
135.11688	7.6
145.04953	7.0
147.11687	100.0
159.02846	4.4
161.13251	15.0
175.14818	6.6
203.17940	48.4
210.76468	2.1
219.64516	2.1
221.87431	1.9
320.23608	2.3
355.40433	1.9
449.16605	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	486.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.9
55.01871	3.9
55.05492	6.8
57.03434	2.8
61.02904	7.4
65.03919	2.3
67.05503	27.5
69.03436	21.5
69.07079	12.0
70.06597	2.1
70.77663	3.4
70.78002	4.4
71.04087	1.8
71.04965	4.0
71.11831	1.9
73.02904	6.4
77.65204	1.8
77.71157	1.9
79.05499	25.1
81.03423	29.3
81.07057	49.5
81.61211	1.9
82.54013	2.3
83.08598	2.7
84.03329	1.9
85.02905	52.4
86.22035	1.8
87.00833	16.7
91.03960	2.5
91.05477	35.4
93.07049	29.3
95.04949	2.9
95.08603	60.1
97.02899	16.4
97.10179	4.8
99.04432	8.7
105.01852	13.2
105.06314	3.9
105.07030	77.6
107.08591	41.7
109.02886	24.0
109.10157	32.9
111.11704	4.7
117.01814	2.7
119.07715	2.9
119.08575	46.3
121.10155	17.8
123.11712	10.1
127.03910	42.5
129.01822	2.2
131.08574	1.8
133.10133	25.6
135.11679	9.1
137.13226	5.8
139.11151	2.3
145.04956	14.5
145.10077	4.5
147.11688	100.0
149.13248	3.1
159.02896	16.6
161.13229	12.8
175.14839	5.1
203.17958	50.2
221.18999	12.0
231.04958	7.4
477.39749	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	483.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52684	0.8
53.03944	7.1
55.01870	7.3
55.05505	8.0
57.03441	4.1
57.03674	0.8
57.07062	2.3
57.89207	0.8
61.02919	3.9
61.61795	0.8
67.05495	6.3
68.99783	2.3
69.03429	21.2
69.07063	11.2
70.06589	2.9
70.10933	2.4
70.11324	1.7
71.04991	2.4
71.08623	2.6
72.08143	1.0
72.25638	1.0
73.02911	3.6
73.89883	1.0
77.03915	1.2
79.05483	6.0
81.03418	21.4
81.07051	12.7
83.04960	2.5
83.08614	3.9
84.04522	1.2
84.08153	1.0
85.02900	47.9
86.09705	2.1
87.00828	17.9
91.03951	1.2
91.05473	17.8
93.07040	23.1
95.04955	3.4
95.08605	21.9
97.02888	16.3
97.06550	1.5
97.10207	1.5
99.04444	9.8
99.05029	1.0
103.03959	1.0
103.05437	2.1
104.06219	0.8
105.01868	15.2
105.07031	30.5
105.20090	0.8
107.04313	1.1
107.04962	11.8
107.08593	19.5
109.02881	22.0
109.06509	4.5
109.10155	12.2
110.07114	1.1
111.08089	2.0
111.11693	1.2
115.05437	2.3
117.01865	3.6
117.07000	4.3
119.08582	46.2
121.06497	30.5
121.07371	1.2
121.10150	6.4
123.08066	4.5
123.11715	3.6
127.02972	1.8
127.03912	36.4
128.06227	1.6
129.01857	2.3
129.07024	1.8
131.08606	5.5
132.05679	1.4
133.06503	12.2
133.10127	100.0
134.10439	1.7
135.08049	27.6
135.11688	2.8
137.05974	3.6
137.09596	2.0
137.13234	1.9
142.07761	1.9
143.08559	6.2
144.09358	1.3
145.04958	13.3
145.06491	2.2
145.10118	4.3
146.07231	5.7
147.02884	2.4
147.08049	41.6
147.11681	16.8
149.09607	9.5
151.07573	4.5
155.08531	1.0
157.10109	7.0
159.02898	12.4
159.08073	3.3
159.11703	10.7
160.08839	4.0
161.09615	67.4
161.13243	8.2
165.09103	1.8
169.10051	1.2
171.11658	1.2
173.09622	2.1
173.13278	3.2
174.10364	1.4
175.11195	30.0
175.14781	6.0
177.03966	1.0
179.10594	1.3
187.14848	1.5
188.11986	1.8
189.04005	1.3
189.12744	1.4
189.16383	47.4
199.14795	8.0
205.15889	2.9
213.03993	3.0
213.08736	0.9
217.15869	96.6
218.16225	1.5
231.04979	7.0
235.16920	54.2
236.17271	1.5
249.06049	0.9
483.22083	7.1
497.87772	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	483.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05498	4.5
57.03428	4.0
57.07081	1.8
60.34153	1.1
65.03936	1.4
67.05502	13.2
69.03425	7.7
69.07046	6.8
69.71256	2.7
69.71661	4.7
70.06584	3.6
70.21353	1.1
71.04990	2.7
72.08118	1.0
79.05474	3.1
79.73956	0.9
81.03397	2.2
81.07052	8.4
83.04984	1.5
83.08604	4.8
84.04488	1.6
84.08147	1.7
85.02875	4.3
86.09713	1.7
87.00821	1.6
91.05462	4.4
93.07020	5.3
95.04984	6.3
95.08599	31.9
97.02904	2.2
97.06506	2.5
105.07030	9.2
107.08579	7.3
108.05668	1.5
109.06487	5.2
109.10148	16.7
111.08131	1.1
116.91827	1.0
117.07018	1.5
119.08554	13.7
120.08105	1.1
121.06491	6.9
121.10137	12.0
123.08056	52.2
123.11692	1.7
124.40966	1.0
127.03898	3.8
127.11168	2.9
129.10262	1.3
130.37007	1.0
133.10118	13.8
135.08029	6.8
135.11705	4.5
137.09570	1.1
143.08524	2.5
145.10097	2.0
147.08026	3.8
147.11693	7.0
149.09618	2.9
157.10110	3.3
159.11679	2.7
161.09598	15.6
161.13219	1.3
167.27319	1.2
171.11571	1.3
173.13139	1.5
175.11189	8.6
175.14845	3.0
177.12737	1.2
183.49034	1.1
189.16359	7.1
199.14789	2.5
217.13863	1.9
217.15865	28.3
235.09691	5.6
235.16904	100.0
236.17198	2.6
279.54694	1.1
346.16739	1.1
483.22153	9.6
488.15076	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	483.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59743	1.0
53.03936	4.0
55.01866	3.5
55.05516	4.4
57.03425	4.3
58.40002	0.9
59.06105	1.3
61.02912	2.5
65.03934	1.7
67.05501	14.7
68.99770	1.9
69.03427	18.8
69.07066	4.9
70.06596	6.5
71.04983	3.7
71.08631	1.2
71.51751	1.2
72.08148	2.8
73.02923	4.1
79.05487	3.9
81.03418	17.6
81.07056	10.8
82.03786	0.8
83.04971	1.2
83.08614	3.9
84.08132	3.1
85.02901	28.7
85.06502	0.9
86.09705	12.8
87.00826	12.7
91.03964	1.1
91.05467	8.6
93.07045	6.7
95.05003	1.7
95.08608	11.6
97.02887	10.0
97.06497	1.8
99.04452	5.1
99.08077	1.2
103.05436	1.4
104.87402	0.9
105.01867	8.6
105.06323	1.9
105.07026	29.8
105.07703	1.9
107.04980	2.1
107.08589	11.3
109.02882	14.1
109.06512	35.8
109.10154	29.9
109.10713	0.6
110.07172	1.6
111.08046	1.0
111.42315	0.9
115.03899	0.9
117.01862	1.6
117.07005	2.5
119.08582	14.9
120.08096	13.1
121.06497	31.1
121.10143	4.3
123.00771	1.0
123.08076	3.9
123.11732	1.6
127.03913	21.6
127.11163	1.6
129.01859	2.7
131.08597	2.9
133.06471	2.0
133.10123	12.4
135.08052	28.8
135.11630	1.6
136.50826	0.8
137.05936	2.4
142.07753	1.1
143.08580	2.9
143.11824	1.2
145.04962	7.0
145.06117	1.2
145.10141	3.5
146.07289	2.4
147.02896	1.6
147.08058	14.9
147.11697	5.8
149.09619	4.1
149.13226	2.3
157.10106	4.1
159.02869	7.1
159.08051	1.6
159.11705	7.1
160.08803	2.2
161.09613	38.6
161.13242	3.7
163.11197	1.7
171.11600	1.5
173.13223	4.0
175.11183	26.5
175.14824	15.2
177.05525	1.5
177.12691	5.2
185.09721	1.1
187.14810	2.0
189.04025	1.1
189.12717	1.1
189.16393	3.9
199.14796	4.0
205.09793	1.6
205.15907	3.2
213.03647	1.1
217.15874	31.7
231.04958	3.0
235.16919	100.0
236.17259	1.8
241.15904	1.1
245.15144	1.0
288.06714	0.9
302.11038	1.6
441.02249	0.9
447.20175	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	483.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01870	5.1
55.05503	5.5
57.03430	3.9
57.07063	3.6
58.07821	0.9
58.38867	1.1
61.02920	2.8
62.06345	1.3
64.90141	1.0
65.01224	1.0
67.05495	10.9
68.99790	2.2
69.03426	24.8
69.07063	6.6
69.73775	2.1
69.74175	5.4
70.06563	1.1
71.04981	2.9
71.08616	1.5
71.87543	1.0
72.08157	1.2
73.02923	2.0
77.04382	1.1
79.05505	5.2
81.03416	13.4
81.07049	12.8
83.04979	2.4
83.08617	6.8
84.08157	1.1
85.02374	2.4
85.02901	50.1
86.09688	1.2
87.00826	15.2
91.05482	8.8
93.07045	10.8
95.04972	3.1
95.08598	27.7
97.02886	11.9
97.06532	5.6
99.04441	6.1
103.03965	1.2
103.05521	1.1
105.01862	19.2
105.07029	26.4
107.04979	1.7
107.08586	19.1
109.02882	14.9
109.06523	9.9
109.10153	16.3
111.08070	3.7
117.07022	2.8
119.08580	34.2
119.81953	0.9
120.08086	2.6
121.06507	17.2
121.10144	23.6
123.08052	9.4
123.11709	2.6
127.03907	30.7
128.06226	1.6
129.01845	1.2
131.04967	1.0
131.08560	3.0
133.06494	2.0
133.10120	52.1
135.08051	41.8
135.11697	11.8
137.05927	1.5
137.09587	1.6
142.07722	1.8
143.08589	5.1
145.04906	8.5
145.10089	3.0
146.07233	4.7
147.08064	9.0
147.11681	15.0
149.09608	17.6
151.11191	2.6
157.10127	5.2
158.10991	1.5
159.02864	6.4
159.08052	1.5
159.11674	6.2
160.08850	2.4
161.09610	81.2
161.13231	3.6
162.09937	1.6
171.11681	1.7
173.09630	2.1
173.13263	5.8
174.34425	1.1
175.11176	26.9
175.14786	9.7
177.12752	3.6
179.00233	0.9
179.10658	10.7
189.03995	2.1
189.16373	30.9
191.17986	9.2
199.14796	3.7
207.17476	1.3
213.04039	1.4
215.07056	1.2
217.15871	100.0
218.16177	2.3
231.04961	6.9
235.16917	76.3
236.17369	1.7
303.19662	1.1
474.37247	1.2
483.21988	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	482.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
56.05034	1.4
57.03440	0.7
57.07079	2.7
58.06594	1.4
58.34424	0.5
58.68047	0.5
60.08162	18.0
63.16409	0.4
67.05482	1.1
69.07046	0.9
69.41590	1.8
69.42019	2.4
71.07368	6.1
71.08619	1.7
74.99239	0.4
75.34412	0.5
81.03388	0.9
81.07054	1.9
85.10170	1.3
86.09703	46.8
93.06976	0.6
95.08605	1.6
95.87906	0.5
97.10239	0.5
98.98465	3.4
104.10738	100.0
105.11086	0.9
105.96538	0.4
109.02400	0.5
125.00000	26.1
154.51715	0.4
163.01588	0.9
184.07335	97.6
185.07668	0.5
191.35260	0.5
193.12227	0.6
231.96831	0.5
258.10980	1.1
275.65326	0.5
299.25775	2.3
464.31415	8.5
482.32446	28.5
483.32864	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	482.3241
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
54.30542	0.8
55.05505	1.8
57.03434	2.9
57.07076	31.7
58.08615	0.8
62.06086	27.1
64.47416	0.9
67.05500	4.0
69.07059	4.2
71.08629	23.7
81.07044	7.1
83.08628	4.9
85.10181	11.5
87.04460	1.1
89.06028	13.4
95.08607	7.4
97.10168	3.6
98.98460	6.4
109.10166	4.0
124.01588	2.5
133.08606	6.9
137.50435	0.8
142.02660	1.3
144.09305	0.8
152.08727	0.8
155.01036	5.7
177.11243	3.3
193.61430	0.9
198.05231	1.2
210.13203	1.1
216.06371	1.9
267.26868	1.4
283.17502	3.4
293.80099	0.8
310.31003	14.5
333.92575	1.0
341.30499	100.0
342.30930	4.5
388.47528	0.8
421.27194	4.8
453.22192	0.9
464.31616	2.1
465.37924	2.4
483.96484	0.9
484.26575	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	483.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01869	4.5
55.05508	10.5
56.05016	0.9
57.03430	4.0
57.07060	3.5
59.04991	1.0
61.02921	3.1
67.05495	10.1
67.10940	0.9
68.99783	1.4
69.03427	19.9
69.07062	8.2
70.06593	7.2
71.04977	2.5
72.08142	3.4
73.02918	2.9
79.05493	5.2
81.03416	13.4
81.07046	9.0
83.04949	1.5
83.08613	6.5
84.04494	1.8
84.08132	3.7
85.02902	26.5
86.09703	6.7
87.00822	12.1
87.01298	1.3
91.05459	9.9
93.07031	10.1
95.04963	3.7
95.08607	20.7
97.02887	10.0
97.06528	1.6
97.49781	0.9
99.04458	4.7
100.11254	1.2
103.03909	1.1
103.05459	1.0
105.01856	8.8
105.07028	26.6
107.04933	1.7
107.08588	17.2
109.02872	10.2
109.06515	7.2
109.10151	13.6
110.07132	1.3
111.08063	4.1
115.05405	1.9
117.01849	1.5
117.07001	3.5
119.04947	1.2
119.08575	29.2
120.08105	8.9
121.06498	19.8
121.10145	15.0
123.08065	12.0
123.11689	2.0
125.09625	2.0
127.03906	24.4
128.06212	1.5
129.01825	1.7
129.10304	1.9
131.04904	1.1
131.08559	3.6
133.06456	2.7
133.10123	41.9
135.08046	47.2
135.11674	8.2
136.07559	1.8
137.05969	3.7
137.09627	1.5
142.07759	2.0
143.08559	5.8
145.04953	6.8
145.06322	1.3
145.10109	3.2
146.07248	4.6
147.02866	0.9
147.08054	9.7
147.11667	12.3
149.09613	15.7
149.10762	1.1
151.11140	4.2
154.08658	1.0
157.10124	6.3
159.02913	6.0
159.11710	6.5
160.08740	2.1
161.09608	100.0
171.11691	2.4
173.05984	1.0
173.09645	1.0
173.13240	4.9
175.11179	22.5
175.14813	10.0
177.05472	1.3
177.12730	1.6
179.10660	12.0
184.07298	1.7
189.16350	12.1
189.17683	1.0
191.14331	2.2
199.14746	6.2
210.14847	1.4
211.15129	1.0
213.04013	0.8
217.15858	84.8
218.16240	1.1
231.04999	2.6
235.16908	81.9
236.17082	1.2
285.34607	1.0
320.18350	1.1
328.65802	1.0
384.21448	1.9
394.22266	1.5
395.22424	1.2
483.21796	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	482.9552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75501	1.1
65.77048	0.9
71.50191	1.6
88.50807	1.0
94.93015	4.4
120.79549	0.9
130.02655	0.8
137.05899	1.7
186.91705	100.0
200.93321	2.0
228.92657	1.5
230.90717	6.8
233.01164	1.1
246.92578	1.4
251.54628	0.9
252.97215	15.3
258.42108	0.9
268.94580	12.9
274.92014	5.6
290.92795	62.9
308.92633	2.1
378.92969	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	480.3081
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05507	13.5
57.03439	6.5
57.07074	7.9
58.34655	0.8
67.05184	1.0
67.05499	10.9
69.07063	19.4
69.38836	3.9
69.39261	1.8
71.04980	0.9
71.08642	3.2
79.05488	5.2
81.07048	10.7
83.04971	0.8
83.08161	1.0
83.08614	12.4
85.10155	1.6
87.11472	0.6
93.07046	5.7
95.08604	11.6
97.06522	1.2
97.10165	6.8
98.21472	1.2
98.42921	0.6
107.08582	3.1
109.10154	3.9
111.08094	1.3
111.11694	1.7
121.10129	5.4
123.11671	1.0
125.13285	0.7
135.11670	3.9
137.13283	0.7
149.13257	1.8
151.14879	0.7
192.68689	0.6
216.06212	1.1
230.18942	0.7
265.25150	1.0
308.29440	2.1
339.28912	100.0
340.29211	2.6
378.97763	0.7
452.89612	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	480.3082
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.38574	1.2
54.30016	0.9
55.05510	16.6
57.03428	4.0
57.07070	5.3
62.06086	25.9
67.05504	7.6
69.07069	18.7
70.22060	3.3
71.08628	1.5
79.05483	3.8
81.07050	8.6
83.08620	11.8
85.10166	1.0
93.07055	3.7
95.08617	9.7
97.06538	1.0
97.10203	5.1
98.98453	6.8
107.08585	2.7
109.10146	4.8
111.11729	1.7
114.01605	1.0
121.10146	6.2
123.11707	1.5
124.01574	1.7
135.11708	2.5
155.01045	6.5
164.36975	0.9
164.95500	1.1
198.05276	1.3
200.06760	1.1
216.06328	3.3
219.94475	1.1
265.25232	3.6
308.29456	14.4
339.28928	100.0
340.29288	2.6
419.25595	2.6
423.65637	1.2
462.29855	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	481.1108
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
54.09610	1.7
55.01847	2.1
55.05503	2.6
56.05023	3.6
56.29983	1.3
56.96548	5.3
58.40011	1.3
61.01142	2.4
61.02920	1.8
61.19718	1.3
67.05499	3.7
69.03422	3.2
69.07048	3.5
70.06596	11.4
71.55159	1.4
71.55566	2.8
72.08141	4.9
73.16921	1.7
77.62415	1.4
79.05466	3.2
81.03420	3.0
81.07042	4.7
84.04493	4.0
84.08148	7.6
84.96052	1.9
85.02895	5.4
85.08423	1.7
86.09712	10.8
91.05471	5.2
93.07032	3.4
95.04967	2.7
95.08555	3.3
97.02867	2.6
98.97583	11.9
104.05319	8.9
105.07038	2.5
107.04949	5.3
107.08615	3.1
109.02850	1.8
109.10184	2.1
110.07143	4.4
110.97573	3.4
113.07207	1.7
116.98600	10.8
119.08601	2.2
120.08104	13.5
123.04496	1.5
127.03920	2.8
127.80438	1.4
128.98598	5.8
129.10255	3.5
130.06537	2.3
131.08453	1.9
133.10077	2.5
134.06125	2.3
134.99660	4.5
135.04385	3.0
136.07608	2.5
137.05951	6.2
145.10164	2.3
146.99658	6.3
149.01222	1.7
152.07034	9.3
153.07327	1.7
159.11731	1.6
161.01254	2.3
161.05911	1.8
164.07117	1.9
167.06979	1.8
169.10246	1.6
170.99771	2.1
172.77203	1.4
177.00713	2.1
180.10127	3.7
180.36745	1.6
187.07362	1.6
189.00648	3.8
212.02008	1.9
213.00761	1.6
219.01773	7.8
237.02762	16.7
238.09637	2.0
254.04605	9.6
255.03931	1.9
260.04181	2.7
272.05682	8.4
283.04855	2.9
293.06998	3.0
301.11365	4.1
310.07416	1.6
311.07956	8.8
347.07971	2.5
365.09213	3.0
373.77307	1.8
395.10187	10.7
413.11203	14.8
424.70407	1.7
436.12854	3.3
437.12021	15.8
481.11053	100.0
481.29761	2.5
481.77933	3.0
482.11072	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
55.01875	4.4
55.05500	11.8
57.07065	16.4
61.02908	4.0
67.05527	7.1
68.27597	4.2
69.03416	24.7
69.07065	61.4
70.06581	12.6
71.00558	10.3
71.04993	7.1
71.08622	9.2
72.08155	5.8
73.02890	6.7
73.06553	7.3
81.03429	21.1
81.07052	8.0
84.08133	6.5
85.02899	54.6
86.09727	6.7
87.00815	23.2
89.06041	29.9
95.04974	4.9
97.02892	34.3
99.04420	9.2
105.01857	36.7
105.06985	3.9
107.04955	5.0
109.02883	16.9
111.11713	82.4
114.83904	3.6
127.03921	44.1
129.12752	100.0
131.51947	3.6
134.10547	3.7
137.05991	5.7
145.04964	15.0
159.02892	9.7
161.31165	4.0
199.16939	14.1
217.17834	7.9
231.05078	13.5
286.92328	4.3
303.98895	4.6
352.62595	4.0
465.20547	4.9
498.09799	4.0
498.56116	4.1
505.20181	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
55.01860	4.3
55.05504	4.8
56.05041	3.4
57.03439	12.0
57.07058	2.4
61.02908	7.8
63.02368	1.8
65.57516	1.9
67.05499	4.4
69.03429	19.6
69.07042	7.6
70.06585	25.8
70.12794	3.7
70.13161	9.1
71.01326	2.3
72.08147	7.8
73.02911	24.6
79.05492	16.7
81.03406	6.5
81.07052	8.7
83.04975	4.1
84.04484	5.0
84.08159	11.3
85.02902	40.2
86.09706	22.0
91.05480	18.2
93.07041	92.3
94.07379	2.3
95.04963	8.3
95.08598	8.8
97.02885	29.0
99.04428	1.9
102.05558	2.7
103.05440	4.0
104.05282	2.4
105.07027	10.2
107.04931	2.0
107.08588	100.0
108.08938	2.7
109.02859	4.9
109.06529	2.1
109.10147	4.8
110.07152	4.1
115.03934	9.7
119.08566	5.5
120.08100	17.8
121.06475	3.1
121.10136	7.8
127.03934	12.7
129.10213	7.7
131.08482	2.2
133.04948	22.8
133.10150	5.5
135.11688	91.3
136.07584	4.9
145.04967	15.5
145.10141	3.0
146.05986	2.9
147.06067	1.9
147.11668	3.5
152.07053	2.2
153.12732	7.2
159.11656	3.0
163.05986	7.9
164.07019	3.2
177.05475	3.3
177.12653	2.8
209.84433	2.1
219.13963	2.4
220.14330	2.1
223.05978	2.8
225.73700	2.2
241.07108	3.4
249.12413	2.2
249.14888	2.9
259.08185	6.3
267.15927	6.8
285.16864	3.1
295.10242	4.1
411.13757	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	481.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01868	21.4
55.05511	13.4
57.03432	6.8
60.03910	0.9
65.03932	1.5
67.05504	41.5
67.89937	1.0
69.03431	4.6
69.07063	14.1
70.06595	2.3
71.04990	16.8
71.26982	1.3
71.27335	2.2
79.05493	25.2
79.64462	0.9
81.03401	3.1
81.07054	50.3
83.04968	3.7
83.08620	11.8
84.04484	1.3
84.08147	1.3
85.02923	1.2
85.06532	3.9
86.09686	2.5
86.16080	1.0
87.04456	6.8
91.05473	19.2
93.07042	32.2
95.04959	4.9
95.08599	14.3
97.06526	100.0
97.10129	4.5
98.06848	1.3
99.04425	1.0
105.07025	8.7
107.04919	1.7
107.08589	19.5
109.06517	2.6
109.10157	12.4
109.44667	0.8
111.08091	5.4
117.07014	6.5
119.08562	3.9
121.06471	2.4
121.10162	7.0
121.29070	0.9
123.08028	1.3
123.11685	4.0
125.09600	3.6
131.08546	8.9
133.10127	12.3
135.08049	3.2
135.11670	9.3
137.05957	1.6
137.39893	0.8
145.10098	2.2
147.11662	2.5
149.09631	2.2
149.13261	10.1
151.11133	2.5
157.10057	1.8
159.11717	8.1
163.11212	1.0
167.07024	1.0
167.14336	1.3
177.12724	8.8
195.13805	49.6
196.14180	1.4
197.13203	1.2
213.14862	14.7
215.14258	1.0
269.17468	72.2
287.18423	1.1
288.09430	1.0
371.25397	1.4
383.24176	1.5
395.27689	1.2
463.30521	9.4
481.31891	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	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
54.46173	1.9
55.01877	12.6
55.05504	2.3
57.03191	2.9
57.03437	31.7
59.04979	3.0
59.56735	2.1
61.02922	18.7
67.05491	7.5
67.13834	2.0
69.03426	51.1
69.07064	68.6
71.01340	5.5
71.04990	3.8
73.02913	92.1
79.05490	3.4
81.03413	8.5
81.07047	23.0
83.04952	3.0
84.04496	2.2
85.02898	100.0
86.09720	2.8
87.04459	4.6
91.03948	7.1
91.05476	2.0
95.04958	3.6
95.08647	4.4
97.02886	83.9
98.20768	6.2
99.04444	5.9
103.03925	3.3
105.07009	2.4
107.08601	2.4
109.02873	6.2
109.10143	7.3
115.03923	42.4
119.68888	2.0
121.10137	2.7
123.11694	82.6
127.03902	34.0
133.04953	48.2
133.10095	1.9
133.77931	1.9
144.06541	3.5
145.04956	39.9
145.10063	2.4
151.09973	4.8
151.11171	69.2
163.05989	11.7
165.05273	2.3
169.04953	3.4
169.12212	9.7
193.04904	2.9
193.57635	2.5
217.07036	2.7
223.05989	4.6
231.52939	2.3
241.07007	9.5
259.08185	6.9
265.14569	2.1
283.15402	25.9
284.08194	2.5
294.11917	3.0
300.07025	2.0
313.16391	2.5
449.09830	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	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
54.46173	1.9
55.01877	12.6
55.05504	2.3
57.03191	2.9
57.03437	31.7
59.04979	3.0
59.56735	2.1
61.02922	18.7
67.05491	7.5
67.13834	2.0
69.03426	51.1
69.07064	68.6
71.01340	5.5
71.04990	3.8
73.02913	92.1
79.05490	3.4
81.03413	8.5
81.07047	23.0
83.04952	3.0
84.04496	2.2
85.02898	100.0
86.09720	2.8
87.04459	4.6
91.03948	7.1
91.05476	2.0
95.04958	3.6
95.08647	4.4
97.02886	83.9
98.20768	6.2
99.04444	5.9
103.03925	3.3
105.07009	2.4
107.08601	2.4
109.02873	6.2
109.10143	7.3
115.03923	42.4
119.68888	2.0
121.10137	2.7
123.11694	82.6
127.03902	34.0
133.04953	48.2
133.10095	1.9
133.77931	1.9
144.06541	3.5
145.04956	39.9
145.10063	2.4
151.09973	4.8
151.11171	69.2
163.05989	11.7
165.05273	2.3
169.04953	3.4
169.12212	9.7
193.04904	2.9
193.57635	2.5
217.07036	2.7
223.05989	4.6
231.52939	2.3
241.07007	9.5
259.08185	6.9
265.14569	2.1
283.15402	25.9
284.08194	2.5
294.11917	3.0
300.07025	2.0
313.16391	2.5
449.09830	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	480.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.5
56.05028	2.9
57.03453	1.1
60.04525	4.9
69.03426	1.5
69.07067	1.5
70.02959	3.1
70.06591	20.1
71.06937	0.8
71.59798	1.4
72.08154	100.0
74.06074	3.7
76.35812	0.8
79.05495	1.1
81.07047	1.1
83.06090	2.8
84.04496	4.4
84.08154	10.7
85.02911	1.6
85.04022	12.0
85.08477	1.2
86.06078	1.1
86.09705	26.3
87.05582	7.9
88.03971	4.5
89.03923	1.4
91.05483	8.9
98.02406	3.9
101.07141	1.8
102.05526	1.9
103.05468	1.4
107.04948	12.0
110.07131	3.8
110.09673	0.8
111.05559	0.9
112.08741	1.0
113.07118	2.3
115.05077	1.4
115.08648	1.4
117.03362	1.4
118.03744	1.2
118.06543	1.0
119.04933	7.7
120.08099	30.2
121.08440	1.6
123.04387	1.8
124.07616	1.4
126.05461	0.9
126.09095	0.9
127.03904	0.8
127.12352	0.8
129.06578	1.1
129.10234	8.1
130.06564	0.8
131.04994	0.9
131.08183	2.5
132.10181	3.9
135.04445	1.8
135.05450	0.9
135.06778	1.0
136.07574	57.9
137.05995	2.7
138.05579	1.1
138.06662	2.5
139.05052	2.0
141.06604	2.9
141.10245	2.0
145.02824	6.1
146.03178	3.4
146.06000	20.9
146.07100	1.3
147.04410	2.0
149.05934	2.2
152.07030	2.5
157.09715	4.9
159.07643	5.7
159.11275	5.8
160.07562	4.5
160.43283	0.9
162.09088	1.8
163.08763	1.0
164.07024	1.4
166.08615	13.1
169.09756	0.9
171.11234	1.1
173.12807	1.3
174.05449	1.3
177.05484	9.5
177.10220	4.2
178.05826	6.1
184.07184	11.8
186.12372	1.4
187.10812	2.4
188.07057	8.4
191.08180	5.4
195.11247	1.0
198.08745	2.0
201.12439	1.0
203.13910	3.3
205.09729	1.3
207.09680	0.9
207.11282	4.6
213.12332	1.7
216.09853	3.0
223.10762	8.9
232.10922	0.8
233.09221	7.2
235.10738	4.0
237.05646	0.9
240.13399	12.0
244.13145	1.5
245.09282	1.4
246.14642	1.8
250.11882	34.4
258.14557	1.0
261.08682	7.2
269.16037	0.8
270.14526	1.8
272.12402	1.2
273.12326	1.6
278.11343	18.5
280.13000	1.2
287.17154	1.0
297.15744	2.3
301.11865	3.1
315.16663	4.2
319.12906	2.0
322.17557	7.4
331.13907	1.2
332.12372	3.2
349.15057	13.6
350.13489	1.5
362.54935	0.8
376.18726	2.1
414.22147	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.05500	5.3
57.03435	2.3
60.04517	2.0
61.02918	3.0
67.05500	6.8
69.03419	3.7
69.07052	6.7
70.00276	6.7
70.06593	33.4
71.04972	3.3
71.23666	1.4
72.07832	1.3
72.08163	12.9
74.06081	1.8
79.05492	10.9
81.03429	3.7
81.07044	7.8
82.06570	1.8
83.04991	2.3
83.08592	4.7
84.04491	6.2
84.08146	19.5
85.02887	6.7
86.09705	33.7
87.10040	2.1
91.03953	1.6
91.05467	6.0
93.07021	12.5
95.04960	2.5
95.08596	16.8
97.02872	4.6
99.04440	4.7
102.05500	1.9
103.05441	2.7
105.06990	1.9
107.04934	5.9
107.08589	12.8
109.02882	1.8
109.06474	2.2
110.07161	7.8
117.07037	3.5
119.08572	4.4
120.08092	20.9
120.60011	1.9
121.06500	8.9
121.08463	3.0
121.10133	5.6
125.05961	4.9
127.03922	2.4
127.08670	2.3
129.10226	12.3
130.05017	1.8
130.06534	2.0
132.08066	1.8
132.10207	2.4
135.04445	2.5
135.11685	22.9
136.07558	6.0
137.05968	11.1
138.05486	2.9
138.09108	3.1
145.10075	12.6
147.08075	1.6
152.07089	4.0
153.01811	4.5
154.02190	2.6
154.08664	1.9
159.09149	4.9
163.04033	1.8
163.11168	31.0
163.13232	1.8
166.08574	2.7
177.05438	2.7
181.12245	7.3
193.78224	1.7
227.12775	43.4
229.04694	2.4
230.05325	2.5
236.81128	1.9
258.04739	2.7
269.21573	1.8
275.04984	3.4
283.15387	100.0
284.15689	2.4
286.04291	2.9
302.04163	4.2
303.04599	6.4
315.12897	1.8
317.06534	20.0
318.06845	45.7
319.07016	1.9
336.26999	1.7
462.27081	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	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.0
53.03941	12.5
55.01866	13.8
55.05507	41.0
57.03432	52.2
57.07066	5.3
61.02907	2.8
65.03932	6.5
67.05502	100.0
68.99777	2.9
69.03426	71.3
69.07064	30.1
70.96284	2.7
70.96609	4.1
71.01348	8.1
71.05001	13.8
73.02908	10.6
75.04465	5.0
79.05489	68.6
81.03413	58.7
81.07051	99.7
83.04981	19.6
83.08614	16.6
85.02899	38.6
85.06527	6.4
86.09692	2.9
87.04457	6.2
91.05476	71.9
93.07037	77.0
95.01315	2.6
95.04955	20.2
95.08603	73.1
97.02880	29.3
97.06532	10.0
97.10146	6.6
99.04455	17.6
99.08086	3.3
101.02361	2.6
103.03951	13.9
103.05453	5.2
105.07026	71.3
107.04951	10.4
107.08587	48.6
109.02872	31.9
109.06519	13.1
109.10147	35.6
111.04424	11.6
111.08073	6.2
111.45181	2.1
113.06011	3.9
113.09605	2.4
115.03925	8.3
115.05441	6.0
117.05480	3.6
117.07011	37.2
119.04974	3.5
119.08577	53.0
119.09380	4.1
121.06517	9.8
121.10143	33.6
123.04436	7.2
123.08086	10.6
123.11707	10.5
125.02367	2.2
125.09591	2.9
127.03900	37.1
128.06230	7.3
129.05495	14.1
129.06966	21.6
130.07733	2.3
131.08556	49.5
133.06473	13.2
133.10120	33.1
135.08040	8.5
135.11679	21.2
137.05957	5.9
137.09607	6.4
139.07468	2.5
141.06969	11.2
142.07747	3.0
143.08542	23.3
145.04988	13.4
145.06479	8.9
145.10135	34.5
145.69600	2.3
147.08023	7.4
147.11696	29.5
149.09621	8.7
149.13272	11.9
151.07553	2.9
151.11162	3.5
154.07724	2.6
155.07182	3.3
155.08574	11.8
156.09225	2.9
157.06480	6.1
157.10094	24.8
159.08067	9.7
159.11673	29.1
161.05998	3.5
161.09618	6.5
161.13223	15.2
163.07440	3.0
163.11118	3.8
163.14839	4.5
165.12727	3.4
167.08563	7.0
169.10092	12.0
171.06679	2.4
171.08069	7.8
171.11684	22.6
173.09688	5.2
173.13243	23.2
175.07523	3.1
175.11203	7.5
175.14792	7.5
177.09137	2.4
177.12714	4.7
179.08524	2.6
181.10034	3.3
182.11066	2.0
183.06508	12.2
183.08087	5.0
183.11623	11.8
184.07401	4.0
185.09615	5.0
185.13223	13.9
187.11218	4.5
187.14772	10.2
189.12794	7.0
189.16304	3.7
191.10713	3.7
191.14354	3.7
195.11743	4.2
197.09547	2.3
197.13260	7.9
199.11223	5.4
199.14824	12.7
201.07599	7.5
201.12753	7.4
201.16365	3.6
203.14365	3.4
205.15930	3.0
207.11813	2.9
209.13280	5.0
211.14845	6.2
213.12805	2.9
213.16469	4.0
215.14377	3.2
217.15938	2.9
221.13275	2.6
223.14803	3.6
225.12794	2.2
225.16367	4.2
227.14423	2.9
231.13893	2.7
233.15500	2.4
241.19630	4.8
243.21053	3.8
259.17062	2.3
259.20575	9.9
261.22055	13.6
269.21957	1.9
271.20535	5.5
273.22128	7.3
275.23700	4.0
277.21613	8.3
283.20715	4.3
285.22079	3.9
289.21582	3.7
291.23486	2.6
297.22113	5.8
299.23730	4.2
301.21732	6.7
303.23132	8.8
309.22244	4.0
313.21625	3.6
315.23224	12.5
316.80902	2.2
317.24677	4.5
323.23724	5.3
327.23123	11.3
331.22647	2.9
335.25851	10.0
339.22955	4.6
341.24677	10.6
345.24252	9.1
351.23120	14.8
357.24277	3.7
359.25766	4.6
363.25284	3.7
369.24213	33.1
375.25208	4.0
387.25281	22.3
401.27045	4.4
405.26617	5.5
419.27771	6.3
425.26840	6.3
431.27951	6.3
443.27948	32.4
449.28918	5.1
461.28931	59.4
462.29358	4.5
479.30032	80.8
480.30505	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	479.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.3
55.01853	3.9
55.05502	4.4
57.03431	3.9
61.02922	3.4
67.05507	6.8
68.99778	4.1
69.03429	36.9
69.07069	3.8
70.06577	4.7
71.04981	5.9
71.51610	1.4
71.82379	1.3
72.08149	2.7
73.02917	1.9
79.05479	5.1
81.03416	40.8
81.07041	5.6
83.04984	6.6
83.08613	1.9
84.08126	2.1
85.02901	49.7
86.09705	2.3
87.00824	13.7
91.05454	5.1
93.07018	5.1
95.04971	4.3
95.08606	4.1
97.02886	13.7
99.04453	15.6
104.99684	1.4
105.01858	5.5
105.07012	3.9
106.02203	1.3
107.04948	3.8
107.08583	3.1
109.02879	26.3
109.10140	3.7
110.07165	2.2
111.04423	5.3
119.08550	2.0
120.08129	2.2
121.06528	2.1
121.10168	1.9
121.22584	1.4
122.05942	1.3
122.71064	1.5
123.04430	3.7
123.11745	1.5
127.03914	75.2
128.04204	2.0
129.01826	2.9
129.10179	1.4
131.08569	2.0
133.10121	2.6
135.04456	1.4
137.08562	1.6
137.09634	1.5
145.04910	2.9
145.10098	1.8
147.02818	1.9
151.03870	2.7
153.01952	1.4
157.10120	1.9
159.11601	2.0
160.07533	1.7
163.03738	1.3
165.09100	5.4
169.04938	2.2
171.02826	1.4
181.04945	100.0
183.86906	1.4
184.03610	1.8
187.05930	1.9
189.03912	4.6
193.12306	1.7
213.03883	9.8
231.04916	7.0
235.06192	1.5
272.16534	4.5
273.06049	3.0
273.16879	6.3
303.05130	2.9
316.19031	2.4
317.06390	2.2
317.10126	4.7
317.19485	4.3
323.70047	1.4
435.19617	1.7
461.09265	13.6
461.27246	2.8
479.10583	1.5
479.18954	1.7
479.30981	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	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03934	0.5
55.01849	0.7
55.98738	0.2
57.03428	1.3
61.02919	1.8
64.97685	0.3
65.03926	0.3
69.03420	3.9
69.59604	1.9
70.06577	0.8
71.04982	0.7
72.08132	0.6
73.02895	0.8
74.77609	0.2
81.03403	1.9
84.04472	0.3
84.08133	0.4
85.02897	10.9
86.09706	3.0
87.04471	0.4
91.03940	0.5
91.05477	0.3
92.02615	1.0
93.03396	1.2
97.02878	4.0
98.20824	0.3
99.04434	0.6
109.02863	1.1
114.68346	0.3
120.08102	1.4
121.02893	1.3
126.03109	0.4
127.03885	2.0
129.10182	0.4
132.24072	0.3
136.07553	1.4
137.05919	0.4
139.03883	1.0
145.04938	1.2
151.03862	1.0
153.01817	10.0
155.71780	0.3
165.01813	0.5
166.02681	0.3
177.05420	0.5
179.03569	0.4
190.06320	0.3
190.75433	0.3
200.04675	0.4
201.05397	0.7
203.03375	0.7
207.11348	0.6
217.04906	1.0
218.05745	0.8
219.02950	0.3
228.04135	1.5
229.04977	4.2
230.05370	0.3
231.02925	0.6
232.55296	0.3
235.10828	0.6
245.04524	2.2
245.18649	0.4
246.05222	1.9
257.04462	2.9
260.03156	0.4
261.07532	0.5
273.03815	2.2
274.04709	4.5
285.03931	5.2
288.91727	0.3
292.02832	0.4
302.04172	13.9
317.06528	100.0
318.06906	1.8
477.17172	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	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.05510	0.4
56.05021	0.1
60.04535	0.2
61.02919	0.2
65.03937	0.4
67.05465	0.2
69.03429	0.2
69.07064	0.1
70.06593	1.0
71.06937	0.1
72.08149	1.1
74.06075	0.2
81.03418	0.1
83.48081	0.1
84.04493	0.4
84.08141	0.6
85.02901	0.5
86.09223	0.3
86.09704	3.0
87.10043	0.2
89.50270	0.1
91.05482	0.4
92.02626	1.0
93.03405	1.2
93.07033	0.2
95.04949	0.2
97.02902	0.2
98.20794	0.4
105.07037	0.2
107.04951	0.3
109.02868	0.2
110.07154	0.6
111.00810	0.2
119.04971	0.2
120.08114	1.8
121.02878	1.0
121.06470	0.3
122.03610	0.1
122.06923	0.2
123.04488	0.2
126.03157	0.4
129.10219	0.4
130.04968	0.1
131.04930	0.2
131.25505	0.1
133.02899	0.2
136.07579	0.6
137.02347	0.3
137.05968	0.5
139.03899	1.3
147.04445	0.2
147.85194	0.1
151.03934	0.8
153.01823	8.5
161.05992	0.2
163.03934	0.2
164.07085	0.2
165.01843	0.8
166.02634	0.2
173.05995	0.2
177.05487	0.4
179.03210	0.1
183.02867	0.3
187.03902	0.2
191.07199	0.2
196.09610	0.2
199.18057	0.2
201.05515	0.8
201.12427	0.2
203.03410	0.6
213.16078	0.2
216.13426	0.2
217.04961	0.8
218.05614	0.7
219.02959	0.2
228.04192	1.5
229.04962	3.8
229.07071	0.3
229.36531	0.1
231.02928	0.4
233.16479	0.1
243.06519	0.2
245.04466	1.3
246.05257	2.2
256.03757	0.2
257.04440	2.8
260.03162	0.5
261.07516	0.2
271.05963	0.2
273.03943	1.9
274.04727	4.7
284.03256	0.5
285.03946	4.8
286.04486	0.3
288.06113	0.3
301.03271	0.2
302.04205	14.3
303.04462	0.2
317.06549	100.0
318.06870	2.3
353.42523	0.2
455.48059	0.2
479.11737	1.0
479.18085	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	479.1187
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.13166	0.2
55.01870	0.3
55.05493	0.5
56.05014	0.5
57.03428	0.4
60.04507	0.5
65.03914	0.3
69.03429	1.3
69.07050	0.3
70.02925	0.3
70.06592	4.8
70.19991	0.2
71.05003	0.3
71.51407	0.3
72.08154	4.1
73.02898	0.2
73.08483	0.3
74.06060	0.6
81.03403	0.5
84.04499	1.8
84.08149	2.5
85.02900	4.1
86.09703	6.4
87.04449	0.3
87.05540	0.5
87.10028	0.2
88.03987	4.0
89.03920	1.9
91.03947	0.2
91.05462	0.9
92.02621	1.6
92.27798	0.2
93.03397	1.7
95.04961	0.3
95.08574	0.2
97.02885	1.3
99.04453	0.3
101.07104	0.4
102.05534	0.9
103.05426	0.3
104.05334	0.2
105.07007	0.2
107.04962	0.3
108.68638	0.2
109.02877	0.5
110.07161	1.5
111.00791	0.2
112.08700	0.2
115.08641	0.4
116.07085	0.9
117.03381	6.8
118.03666	0.2
119.04953	0.6
120.08105	4.2
121.02864	1.2
121.06508	0.3
122.06061	0.2
126.03108	0.5
127.03952	0.9
127.08660	0.2
129.10251	1.5
130.04973	0.4
131.04993	0.2
134.03619	0.6
135.04391	1.1
136.07593	1.5
137.02318	0.5
137.05957	1.0
139.03871	1.4
145.02843	16.6
147.04343	0.4
147.07642	0.2
148.06177	0.2
148.07526	0.2
149.05992	2.4
150.05464	0.4
151.03903	0.9
153.01826	9.1
157.13377	0.6
161.05948	0.5
161.07133	0.2
162.03725	0.2
163.03912	3.2
163.06192	0.2
164.04231	1.8
165.01819	0.8
166.08656	0.5
171.07948	0.4
171.14928	0.3
172.05051	0.3
172.08716	0.5
173.09415	0.5
173.12930	0.4
175.07445	0.3
176.07037	0.2
177.05466	27.2
178.05931	0.4
178.08702	0.3
185.12814	0.5
186.05466	0.6
187.07401	1.5
199.07277	1.0
199.14392	0.4
200.04749	0.3
201.05461	0.8
201.08665	0.3
203.03427	0.6
207.06543	0.3
209.02769	0.3
209.67114	0.2
216.08032	0.3
216.10049	0.5
217.04951	1.2
218.05753	0.9
218.07965	0.4
219.02898	0.3
222.05829	0.5
223.10754	1.1
225.05408	0.4
228.04128	1.9
229.04958	4.3
229.07086	0.4
229.15462	0.6
231.02844	0.3
231.11328	0.4
243.06319	0.3
243.08771	4.4
244.09547	15.2
245.04459	1.8
245.10326	0.3
246.05244	2.3
251.10284	1.0
256.03665	0.3
257.04480	3.4
257.08212	0.6
260.03198	0.4
261.07635	0.4
264.08661	1.1
268.06363	0.5
271.05969	0.3
273.03909	1.9
274.04724	4.5
277.11829	0.9
284.03256	0.6
285.03931	5.5
286.07455	0.6
288.06247	0.2
302.04205	14.9
303.04807	0.5
303.10062	2.2
316.11951	0.3
317.06543	100.0
318.06937	2.2
358.12741	0.2
360.14374	0.3
362.13242	0.4
372.09164	0.3
378.15295	1.7
379.16153	5.5
428.93536	0.2
461.13626	1.5
479.15372	0.9
479.31003	0.2
503.16422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00594	0.4
53.03923	0.5
55.05507	0.8
56.05020	1.1
56.44677	0.4
57.03427	0.7
60.04517	0.7
61.01159	0.4
61.02907	0.5
63.02354	0.5
65.03929	0.7
69.03438	1.9
69.07058	0.5
69.70246	2.5
70.06591	10.9
71.75011	0.4
72.02411	0.3
72.08154	4.9
74.06053	0.9
74.93774	0.5
79.05486	1.3
79.68414	0.4
81.03412	1.2
84.04496	2.9
84.08143	5.3
84.46953	0.4
85.02890	3.0
85.04752	0.4
86.09701	7.1
87.05579	0.7
87.10049	0.5
88.04027	1.0
89.03904	5.4
91.05474	5.6
93.07053	0.9
95.04948	0.6
97.02897	1.4
101.07136	0.6
102.05539	1.5
103.05476	0.7
105.07027	0.4
107.04954	5.3
107.08527	0.5
107.20904	0.4
109.02850	0.6
110.06046	0.9
110.07163	3.5
112.08713	0.6
116.07088	0.8
117.03380	6.2
119.04926	3.3
120.08112	4.7
127.03886	0.5
129.10236	3.8
130.04965	0.6
130.08640	0.4
133.02881	0.5
134.06052	0.7
135.04411	14.2
136.07600	2.6
137.05971	15.4
138.05478	1.2
145.02843	14.1
145.04869	0.6
146.03175	0.6
147.04382	0.8
147.07635	0.5
149.05974	1.3
152.07042	1.4
154.08633	7.5
155.11775	0.4
158.09302	0.6
159.09183	0.7
162.05504	2.2
163.03897	100.0
164.04198	2.0
164.07033	0.9
173.05864	0.5
173.12854	1.0
175.03918	0.8
177.05481	4.5
178.05844	0.5
180.06493	0.5
186.05554	0.6
188.07025	0.5
191.11752	0.5
201.12372	0.4
207.06534	1.5
209.02711	0.7
225.07576	0.6
264.08649	1.0
268.06314	1.0
316.11758	26.0
317.06641	0.6
317.12015	0.9
440.72565	0.4
478.17416	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	478.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.4
56.05036	2.1
57.05819	0.6
60.04533	1.0
69.03436	0.8
69.07068	1.2
70.02948	1.1
70.06591	16.2
70.75414	0.9
70.75781	0.9
71.06931	1.0
71.07307	0.5
72.08153	100.0
73.08496	1.3
74.06066	1.2
79.05506	0.8
81.03419	0.5
82.06576	2.9
83.05001	0.5
83.06119	0.7
83.10619	0.5
84.04495	3.5
84.08144	8.6
85.02896	1.3
85.04028	1.2
85.08476	0.5
86.09703	12.4
87.05586	5.5
87.10034	1.1
88.03998	1.4
91.05485	1.5
93.07035	0.8
94.06569	0.6
95.04971	0.6
96.08115	3.1
98.02414	4.9
98.06052	0.4
98.09703	0.5
99.09225	3.5
101.07137	0.9
102.05569	0.9
103.05460	1.0
108.08123	0.4
109.30595	0.5
110.02419	0.7
110.07149	2.6
112.08711	0.8
115.05039	1.3
116.07122	0.5
119.04982	0.8
120.08100	19.2
120.08958	1.0
121.06559	1.3
121.08486	0.7
124.07577	4.2
127.08674	19.4
129.06599	0.6
129.10243	4.9
130.04988	0.8
136.07581	1.7
137.06027	0.7
141.10222	19.4
143.11792	1.1
145.02870	1.0
147.04442	0.6
152.07069	2.4
155.08157	0.7
157.13321	0.5
165.10294	0.6
166.08636	5.2
167.07085	0.6
169.09717	11.9
171.11328	0.5
171.14996	1.1
177.05515	1.9
178.05838	0.7
181.13391	1.2
186.12375	52.8
187.10878	0.6
191.11809	0.7
200.14073	0.5
200.90468	0.5
201.12352	0.5
204.06557	0.5
205.08582	0.5
214.11859	40.2
219.05977	0.5
229.15500	1.1
230.15875	0.6
254.15068	1.2
265.15472	14.8
268.16647	0.6
276.13519	1.9
285.19214	1.0
295.17700	0.8
296.16205	1.4
303.04980	5.1
311.09573	0.5
313.18747	12.6
314.13837	0.7
316.14435	1.4
374.20734	0.6
396.86475	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	478.2924
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03925	0.5
55.05510	12.0
57.03436	5.9
57.07079	1.8
59.87658	0.3
62.06077	0.7
65.03927	0.6
67.05502	23.8
69.07065	14.6
69.83932	2.0
71.04962	0.8
71.08612	0.7
79.05486	6.4
81.07050	21.0
83.04959	0.9
83.08614	6.6
85.06519	0.8
91.05462	4.5
93.07037	6.0
95.08601	15.0
97.06514	1.4
97.10172	2.5
105.07034	2.9
107.08600	3.8
109.06480	0.6
109.10150	6.7
111.08081	0.7
111.11709	0.5
119.08551	2.5
121.10124	2.3
123.11715	2.6
124.01551	0.5
125.09664	0.5
133.10114	2.1
135.11681	1.3
137.09645	0.6
137.13284	0.9
147.11659	1.4
149.13246	1.0
151.14705	0.4
159.84688	0.4
161.13237	0.8
175.14801	0.9
202.73506	0.3
209.70004	0.4
245.22537	0.5
263.23770	1.0
300.75159	0.4
306.27890	2.1
337.27344	100.0
338.27646	4.4
345.21124	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	478.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01871	2.1
55.05512	11.8
57.03433	2.3
57.07082	0.9
62.69704	0.8
67.05505	11.1
69.03427	2.8
69.07055	3.0
69.19283	3.5
69.19710	7.0
70.06588	2.5
71.04993	2.1
71.08618	3.9
72.08138	1.5
78.31023	0.9
79.05479	8.2
81.03413	8.8
81.07050	11.5
83.04963	2.6
83.08607	12.7
84.08128	1.4
85.02897	6.6
85.06544	1.7
86.09678	1.2
87.00822	2.4
91.05469	12.6
93.07050	8.4
95.04960	26.8
95.08585	6.4
97.02877	2.3
97.10154	2.5
99.08086	3.0
105.01860	1.5
105.07033	6.2
107.04948	3.6
107.08591	6.4
109.02891	1.4
109.06513	2.7
109.10155	4.1
111.04469	1.0
111.08060	3.4
113.06010	5.1
117.07043	2.7
119.04931	2.7
119.08560	5.8
120.08097	2.1
121.06492	1.9
121.10145	5.5
122.10434	1.0
123.08104	1.6
125.09641	2.0
127.03902	3.7
129.07016	2.4
129.10193	1.0
131.08554	3.4
133.06493	2.0
133.10162	3.3
135.04366	1.1
135.11681	1.3
137.05968	15.4
137.06958	1.3
137.09618	1.3
145.10139	3.9
147.04430	3.0
147.08034	2.2
147.11708	3.5
149.09584	6.5
157.10136	1.1
159.11673	1.4
161.05978	2.5
161.09604	1.4
163.11192	8.6
165.09048	1.2
165.12720	1.7
173.06024	1.1
173.11746	1.3
175.07527	1.0
177.12779	1.7
187.11185	1.4
189.11292	1.3
193.12271	3.5
195.11726	1.1
205.12279	1.9
211.13318	3.9
223.13313	10.2
236.66824	1.0
275.20032	6.8
293.21082	33.4
293.24323	1.7
303.16125	1.1
358.24966	1.0
368.22726	0.9
386.24118	1.3
429.26190	1.9
447.27594	1.5
460.27832	1.1
478.31647	100.0
479.32095	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	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05278	0.9
55.05514	9.5
57.03431	3.3
57.07065	1.4
58.42778	0.9
62.06087	30.7
67.05501	25.7
69.07061	13.0
69.38229	1.3
69.38572	9.4
71.08623	1.0
71.61716	0.9
79.05499	6.7
81.06593	1.8
81.07058	27.3
83.04978	1.0
83.08627	5.0
91.05468	4.1
93.07045	7.4
95.08605	15.8
97.06515	1.0
97.10146	3.3
98.98468	6.5
105.07013	3.8
107.08582	4.6
107.86810	0.9
109.10126	5.9
119.08546	2.2
121.10125	4.1
123.11732	3.0
124.01611	2.4
133.10110	2.3
135.11665	1.7
137.13266	1.1
147.11577	1.2
149.13226	1.2
154.99925	1.2
155.01050	5.7
161.07722	0.9
161.13188	1.1
166.46156	0.9
173.02103	1.9
183.77617	0.9
198.05299	2.9
209.00755	1.0
216.06288	2.5
245.22612	1.6
263.23700	6.4
306.28021	8.1
337.27353	100.0
338.27710	4.2
393.27100	1.0
460.28101	4.0
478.29019	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	477.1756
Annotation	Matteucinol 7-O-glucoside
Peak:m/z	Relative Intensity
53.03938	1.7
55.01866	2.4
55.05508	3.6
55.05722	0.6
57.03418	1.4
61.02904	0.9
62.26851	0.6
67.05505	4.3
69.03426	3.0
69.07056	1.3
70.06599	1.7
71.33720	1.0
71.34067	1.2
72.08157	1.5
74.00572	0.7
77.03915	0.6
79.05488	9.9
81.03406	3.7
81.07063	4.9
83.04942	0.9
83.08604	2.1
84.04538	0.7
84.08112	1.0
85.02898	5.0
86.09685	2.3
91.05485	5.9
93.07044	2.7
95.04978	4.2
95.08599	2.8
97.02895	2.4
97.10159	2.6
103.05424	0.7
105.07021	4.4
107.04954	62.1
107.08539	3.1
109.02872	1.2
109.06524	0.8
109.10157	2.2
117.07040	1.9
119.04913	0.6
119.08569	2.2
120.08113	1.7
121.06483	2.5
121.10172	1.2
123.04421	1.0
123.08078	0.6
125.09606	1.9
129.06955	0.8
131.04939	1.9
131.08530	1.4
133.06477	2.3
133.10100	1.4
135.08032	1.3
137.05951	1.1
137.09595	1.3
145.06474	1.6
145.10092	0.8
147.11676	0.9
149.09660	1.1
151.07532	1.0
153.05428	0.7
155.07069	1.4
157.10202	0.7
161.05981	2.0
163.11157	0.9
165.09113	7.7
165.56902	0.7
166.02603	0.9
177.05464	1.2
179.07014	1.2
179.55243	0.6
181.04961	3.5
181.08597	2.8
184.03780	1.7
187.07494	0.9
189.11194	1.1
191.07030	1.3
192.04189	1.3
193.12181	1.4
194.05730	4.7
206.05736	4.3
207.06578	6.2
209.08087	37.2
215.14214	0.8
221.08086	32.9
233.15323	0.9
282.08792	1.3
297.11212	61.3
298.11545	1.7
315.12253	100.0
316.12662	1.9
331.21149	0.8
343.35693	0.7
349.21655	1.2
357.24222	1.2
367.22772	2.4
385.23480	4.6
396.20541	0.8
403.24655	1.9
459.27383	4.1
477.29385	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78527	1.5
53.03186	2.6
53.03940	5.1
55.01867	14.8
55.05511	59.8
57.03440	10.4
59.05003	1.9
65.03948	2.4
67.05503	47.3
68.26760	1.7
69.03414	11.1
69.07059	15.0
70.06573	2.6
70.57484	5.7
71.04987	4.2
72.08149	1.7
79.05017	3.2
79.05486	60.6
79.83080	1.6
80.05022	2.3
81.03410	14.7
81.07053	50.4
83.04976	7.8
83.08618	31.1
84.40773	1.7
85.02912	2.3
85.06546	3.9
91.04911	2.4
91.05481	37.0
93.07047	30.4
95.04958	21.3
95.08603	23.1
97.06528	5.9
97.10167	52.4
99.08082	4.0
105.07024	27.3
107.04945	38.5
107.08595	34.0
109.02869	3.8
109.06519	8.6
109.10139	14.9
111.08097	6.1
115.05455	4.1
117.06999	16.3
119.05013	3.3
119.08564	14.0
121.06495	28.2
121.10155	11.0
123.04425	2.9
123.08048	10.5
123.11681	4.8
125.09631	34.7
125.10495	1.3
128.06253	1.8
129.06993	12.7
131.04929	4.3
131.08582	13.9
133.06494	12.3
133.10152	11.5
135.08057	15.7
135.11679	3.3
137.05974	7.6
137.09618	3.6
141.06989	3.8
142.07739	1.9
143.08617	8.8
145.02806	3.1
145.06491	18.5
145.10115	11.9
146.43034	1.7
147.04416	4.6
147.08028	11.8
147.11644	9.8
149.09621	7.9
153.09064	8.1
153.12691	3.1
155.08548	5.4
157.06505	4.1
157.10127	7.8
159.08063	5.5
159.11699	5.6
161.06004	2.8
161.09572	5.3
163.11182	7.6
165.09151	2.5
165.12798	2.4
167.08611	3.0
169.10143	5.5
171.07951	4.0
171.10239	3.0
171.11678	6.9
173.09590	6.7
173.13239	3.3
175.07637	2.6
175.11186	7.3
177.05490	6.9
177.09023	2.8
177.12675	2.8
178.30922	1.6
181.10081	4.1
183.07957	2.0
183.11757	2.3
184.08810	1.8
185.09590	2.6
185.13219	3.7
187.11198	6.2
187.14838	3.6
189.09515	3.0
189.11221	23.2
189.12749	5.4
191.10683	3.2
193.12254	12.1
195.08052	1.7
195.11745	4.5
195.13625	2.1
197.09564	2.5
197.13312	3.9
199.11176	7.9
201.12694	1.7
205.12166	3.5
211.11304	2.2
211.13266	4.2
213.12746	3.8
215.14320	6.5
217.12230	4.7
219.13747	2.4
221.11823	2.0
223.11238	3.4
223.13200	3.5
225.12788	3.6
227.12766	6.4
227.14590	2.9
231.13776	2.6
233.15231	13.7
235.13197	2.2
237.12730	3.2
241.12138	2.4
241.14342	7.7
245.15385	3.1
249.14792	3.1
255.13847	4.2
257.15445	2.1
259.13187	3.2
267.16183	2.4
269.15353	2.0
271.16855	2.3
273.14871	21.3
287.16486	3.5
291.15863	6.4
314.13885	2.9
337.77655	1.7
339.23273	9.5
344.18521	5.6
349.21619	23.7
357.24274	7.4
367.22641	60.8
368.23099	2.1
385.23703	100.0
386.24127	2.9
403.24771	22.7
405.23999	3.3
441.26279	10.2
459.27365	58.4
460.27356	3.6
477.28735	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00594	0.4
53.03923	0.5
55.05507	0.8
56.05020	1.1
56.44677	0.4
57.03427	0.7
60.04517	0.7
61.01159	0.4
61.02907	0.5
63.02354	0.5
65.03929	0.7
69.03438	1.9
69.07058	0.5
69.70246	2.5
70.06591	10.9
71.75011	0.4
72.02411	0.3
72.08154	4.9
74.06053	0.9
74.93774	0.5
79.05486	1.3
79.68414	0.4
81.03412	1.2
84.04496	2.9
84.08143	5.3
84.46953	0.4
85.02890	3.0
85.04752	0.4
86.09701	7.1
87.05579	0.7
87.10049	0.5
88.04027	1.0
89.03904	5.4
91.05474	5.6
93.07053	0.9
95.04948	0.6
97.02897	1.4
101.07136	0.6
102.05539	1.5
103.05476	0.7
105.07027	0.4
107.04954	5.3
107.08527	0.5
107.20904	0.4
109.02850	0.6
110.06046	0.9
110.07163	3.5
112.08713	0.6
116.07088	0.8
117.03380	6.2
119.04926	3.3
120.08112	4.7
127.03886	0.5
129.10236	3.8
130.04965	0.6
130.08640	0.4
133.02881	0.5
134.06052	0.7
135.04411	14.2
136.07600	2.6
137.05971	15.4
138.05478	1.2
145.02843	14.1
145.04869	0.6
146.03175	0.6
147.04382	0.8
147.07635	0.5
149.05974	1.3
152.07042	1.4
154.08633	7.5
155.11775	0.4
158.09302	0.6
159.09183	0.7
162.05504	2.2
163.03897	100.0
164.04198	2.0
164.07033	0.9
173.05864	0.5
173.12854	1.0
175.03918	0.8
177.05481	4.5
178.05844	0.5
180.06493	0.5
186.05554	0.6
188.07025	0.5
191.11752	0.5
201.12372	0.4
207.06534	1.5
209.02711	0.7
225.07576	0.6
264.08649	1.0
268.06314	1.0
316.11758	26.0
317.06641	0.6
317.12015	0.9
440.72565	0.4
478.17416	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	478.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.9
56.05016	4.2
58.99571	3.4
60.04511	5.6
65.03911	2.4
65.82449	1.9
67.05508	2.6
69.03408	2.9
69.07061	5.2
70.06588	46.1
71.54762	2.5
72.08154	89.8
74.06086	2.1
74.84787	2.2
74.90492	1.9
79.05475	4.6
81.03391	2.1
81.07050	2.6
82.06589	4.5
84.04495	13.8
84.08133	25.1
85.02929	2.9
86.00636	21.7
86.09708	42.2
86.99054	3.4
87.05609	5.2
88.03995	3.2
89.03921	3.8
89.83990	2.3
91.05488	5.7
93.07019	3.2
94.06571	5.9
95.05008	2.3
95.07346	2.2
96.08140	10.2
98.02412	3.8
100.11308	2.3
102.05524	3.4
103.74365	2.1
104.07084	2.5
108.08124	7.4
110.07161	8.8
110.09696	8.6
112.08748	3.1
113.44849	2.2
115.08682	2.1
116.04992	9.5
117.03391	3.0
119.04894	2.5
120.04501	2.2
120.08107	52.9
121.06551	2.4
122.06028	6.5
124.07583	27.9
127.08695	10.5
128.03447	4.6
129.10245	23.1
130.06551	2.3
132.01144	71.8
134.05995	2.7
135.04463	2.4
136.07533	14.8
137.05981	3.9
138.05504	2.4
138.09154	8.8
141.10217	10.9
144.04454	14.1
145.02878	6.4
146.03127	2.0
146.06055	4.0
148.07555	3.9
152.07079	8.6
154.08633	6.9
160.03926	2.1
162.05502	8.8
164.07115	6.1
165.10248	5.4
166.08640	26.3
169.09734	8.3
172.03934	55.8
177.05499	8.4
186.12355	33.7
190.05005	40.1
191.11752	2.3
192.06497	2.4
199.14554	2.2
200.00087	23.7
204.06552	81.1
214.11856	22.1
218.01199	21.3
223.12297	2.8
228.13832	4.5
232.02728	41.1
237.14397	10.1
246.14874	38.9
246.65147	5.7
247.14462	5.9
255.13651	2.1
265.15503	12.3
276.13538	7.5
279.11267	6.9
293.06027	5.8
297.12469	6.4
309.41644	2.1
313.18793	9.1
325.11810	70.0
325.15512	3.9
326.12390	2.6
343.12778	19.5
357.14587	7.9
477.33167	38.0
478.28333	5.6
478.33533	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3007
Annotation	Progeldanamycin
Peak:m/z	Relative Intensity
53.03942	1.3
55.01862	2.3
55.05511	7.6
65.03929	1.1
67.05499	15.0
69.03423	1.0
69.07063	21.9
70.05901	3.6
70.06576	2.6
71.04984	2.1
72.08167	0.7
77.03909	0.7
79.05487	9.1
81.03414	13.3
81.07059	8.9
83.04981	2.5
83.08608	4.1
84.04493	1.0
85.02888	0.9
86.09694	1.3
91.05469	14.9
93.07036	9.1
95.04967	5.7
95.08614	8.0
95.52538	0.7
97.06530	2.8
97.10158	5.3
99.08105	0.8
105.07017	5.2
105.16927	0.6
107.04949	17.4
107.08585	5.6
109.06534	1.0
109.10158	10.0
111.08079	1.4
117.06997	3.8
119.04963	3.1
119.08579	5.4
120.08093	4.1
120.08832	0.7
121.06496	3.4
121.10140	2.4
123.04411	1.4
123.08107	0.7
125.09608	4.2
129.07004	2.4
131.04939	0.8
131.08575	3.6
133.06488	1.8
133.10117	2.6
134.05925	1.0
135.04428	2.2
135.08040	2.1
135.11708	1.3
136.07578	2.9
137.05974	19.2
137.09596	7.3
143.08578	1.5
145.06532	1.2
145.10133	3.0
147.04417	2.6
147.08029	2.6
147.11723	1.5
149.06006	2.0
149.09604	16.5
149.30470	0.7
151.11154	0.7
155.10635	0.9
157.06476	1.0
157.10117	2.2
159.11705	2.7
161.05972	2.0
161.09662	2.1
161.13130	0.8
163.11182	1.6
164.07095	3.6
165.07881	6.0
165.09077	1.2
166.08589	0.7
168.10258	0.8
169.10158	1.4
171.11705	1.4
173.06062	1.5
173.11713	4.5
175.07552	0.9
175.11215	2.9
177.12735	0.8
185.09718	0.7
187.07573	0.7
187.11163	1.9
189.11266	1.8
193.12302	1.2
203.10715	1.6
205.12164	0.9
223.13292	0.7
225.46626	0.8
229.12257	1.7
235.13269	1.3
245.18996	0.9
255.17480	1.0
263.20291	0.7
273.18518	3.6
286.17966	1.1
291.19525	21.4
292.19992	0.8
357.17139	0.8
367.22610	1.6
385.23767	1.1
403.24557	0.8
409.23413	1.4
427.24854	2.1
458.29053	2.1
459.27216	1.3
476.30084	100.0
477.30045	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	477.1755
Annotation	Matteucinol 7-O-glucoside
Peak:m/z	Relative Intensity
53.03178	0.7
53.03937	1.7
55.01865	3.4
55.05505	5.4
55.54521	0.7
57.03412	1.4
61.02908	1.0
65.03929	1.3
67.05504	6.3
69.03426	4.0
69.07066	3.0
69.17484	1.6
69.17896	4.9
70.06583	1.8
71.04978	1.2
72.08141	1.3
74.41307	0.5
79.05078	0.9
79.05491	12.7
81.03416	5.7
81.07054	7.6
83.04989	1.2
83.08593	2.7
84.08148	1.3
85.02908	6.3
85.06517	0.8
86.09708	3.7
91.05473	7.3
93.07025	5.4
94.07329	0.5
95.04966	5.5
95.08607	4.4
97.02857	2.5
97.06527	0.9
97.10191	3.5
103.05444	1.2
105.07030	4.6
107.04951	63.9
107.08586	3.9
108.05307	1.5
108.08910	0.6
109.02862	1.3
109.06521	1.7
109.10146	3.3
111.08079	1.2
115.05442	0.9
117.07000	2.6
119.04936	1.4
119.08589	3.2
120.08105	2.8
121.06497	4.4
121.10152	2.2
123.04362	0.8
123.08054	1.2
123.11713	0.8
125.09611	2.8
127.03900	1.9
129.07001	1.9
129.10251	0.7
129.93787	0.5
131.04915	2.3
131.08574	2.9
133.06453	2.4
133.10114	2.6
135.04401	0.6
135.08063	1.5
135.11646	1.5
136.07555	0.6
137.05977	1.4
137.09612	1.1
143.08508	1.0
145.06465	2.3
145.10146	1.8
146.11806	1.1
147.08006	1.7
147.11661	1.5
149.05980	1.1
149.09604	1.4
151.07523	2.4
153.09157	1.2
155.07010	2.4
155.08449	0.9
157.10115	0.9
159.08084	1.2
159.11681	0.7
161.05928	2.1
161.13251	0.7
162.08218	0.6
163.07529	0.6
163.11237	1.1
165.05467	1.3
165.09103	11.6
166.02588	1.1
167.07066	0.8
167.08458	0.9
171.08035	1.2
173.05994	0.8
175.07520	1.0
175.11189	1.5
177.05399	1.3
179.06972	1.2
181.04977	5.2
181.08574	2.6
184.03702	1.0
185.09523	0.7
185.12929	0.7
187.07588	1.1
188.07852	0.9
189.09079	0.8
189.11150	1.2
189.12682	0.8
191.06996	2.1
192.04195	1.0
193.12283	3.2
194.05716	5.0
203.10776	0.6
205.12332	1.0
206.05722	5.2
207.06552	5.4
209.08084	42.4
211.13268	0.8
211.20624	0.6
215.14268	0.9
221.08080	34.1
222.08362	0.9
227.12724	1.4
233.15370	1.0
241.14384	0.9
267.15802	0.8
273.14844	0.7
282.08795	0.8
297.11209	68.7
298.11551	1.9
315.12247	100.0
316.12582	3.8
316.21213	0.6
339.23154	1.3
349.21536	1.6
357.24332	1.2
367.22711	4.4
385.23651	8.8
403.24744	3.0
441.26379	1.3
459.27557	5.6
477.18933	0.6
477.29816	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	476.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67643	0.5
53.03938	1.7
55.01870	2.3
55.05510	7.7
57.03415	0.8
57.07063	0.6
65.03925	1.1
67.05501	15.0
69.03433	2.1
69.07064	11.8
70.06584	1.5
70.16769	1.2
70.17162	1.5
71.04996	1.2
72.08165	0.8
77.03931	0.6
79.05488	11.5
81.03419	7.8
81.07057	17.2
83.04981	2.7
83.08625	6.0
84.04501	1.3
84.08140	1.1
85.02896	0.9
86.09708	1.4
91.05479	14.8
92.81660	0.5
93.07038	7.8
95.04368	1.0
95.04964	9.3
95.08610	5.9
97.06535	2.7
97.10169	7.4
103.05468	0.9
105.07015	6.9
107.04945	10.8
107.08583	5.8
109.06519	2.5
109.10168	7.8
110.07169	0.6
111.08076	1.2
115.05475	0.7
117.07001	5.4
119.04928	4.9
119.08569	8.7
120.08095	1.1
121.06501	5.3
121.10101	3.8
123.04424	1.2
123.08073	1.5
123.11700	1.5
123.82625	0.6
125.09615	5.2
129.07008	2.6
131.08568	3.8
133.06493	3.3
133.10133	2.5
135.04407	2.2
135.08043	4.1
135.11681	1.0
136.07564	0.6
137.05971	23.7
137.09624	4.0
141.07074	0.6
142.26816	0.6
143.08577	1.7
145.06465	1.8
145.10095	4.2
146.06038	0.7
147.04401	3.3
147.08083	3.9
147.11729	2.0
149.06018	1.5
149.09608	6.7
153.09102	0.8
155.10706	0.7
157.06493	1.0
157.10118	2.9
159.08064	1.2
159.11700	2.5
161.05980	2.3
161.09613	1.6
163.11168	3.1
164.07065	0.8
165.09126	2.5
168.10211	0.9
169.10211	0.7
171.11697	1.4
173.06024	1.0
173.09654	1.0
173.11731	2.4
175.07521	1.5
175.11226	2.2
177.05508	0.9
185.13188	1.1
187.07536	0.7
187.11186	1.0
189.09201	1.2
189.11253	2.1
191.10663	0.6
193.12291	1.8
197.09648	0.7
199.11232	0.8
203.10602	0.7
203.14372	0.6
205.12326	0.9
211.13312	1.8
213.12799	0.8
223.13326	2.2
229.12280	1.1
235.13281	0.8
243.13806	1.0
249.14812	1.2
249.42438	0.7
255.17590	1.0
273.15216	1.1
273.18506	5.5
283.10898	0.8
291.19531	24.8
292.19919	0.7
303.15991	1.6
325.10727	0.9
339.23257	0.7
349.21921	0.7
360.21667	0.7
367.22748	2.0
385.23618	3.7
403.24854	1.3
409.23764	1.3
427.24826	2.5
445.25934	0.9
458.28864	0.8
459.27469	2.6
464.71768	0.6
476.30087	100.0
477.30139	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	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01859	1.1
55.05505	2.9
57.44089	0.8
63.88683	0.9
67.05497	1.6
69.03429	3.8
69.07070	7.4
69.48843	6.9
69.73783	0.8
70.06588	8.0
71.65108	0.8
72.08156	6.1
73.02936	1.0
74.06041	0.8
79.05496	1.3
81.03423	3.6
81.07054	1.9
84.04507	2.1
84.08119	2.5
85.02905	7.3
86.09697	12.7
87.00821	3.4
87.10041	2.8
91.05488	2.7
93.07052	1.0
95.08591	4.5
97.02892	3.9
98.21577	1.8
99.18118	1.0
102.57545	1.0
103.38010	0.8
103.57559	0.8
104.05344	1.0
105.01863	2.6
105.07033	8.3
106.97139	0.8
107.04962	1.2
107.08593	2.1
109.02885	3.0
109.06518	1.0
109.10162	1.3
110.07180	1.3
116.07080	2.8
117.07038	1.6
119.08588	26.5
120.08109	7.5
121.08413	2.6
121.10147	2.2
122.05916	0.9
127.03896	5.4
129.10217	1.6
133.10130	24.2
134.10623	1.1
135.11739	1.1
137.05968	1.7
144.39331	0.9
145.04919	2.6
145.10156	1.3
147.11665	3.1
159.02870	1.6
160.12477	1.4
173.13235	0.9
175.14824	100.0
176.15172	3.6
177.05484	2.1
177.16379	1.7
187.03941	1.1
193.15897	3.7
198.11249	5.6
215.13919	1.2
216.12363	2.6
217.08231	1.3
234.16824	0.9
247.14359	1.2
248.14645	1.0
257.17487	1.0
261.16071	1.6
262.16296	2.0
314.10867	1.4
349.58762	0.9
384.15030	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	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01870	0.3
55.05509	7.9
57.03437	7.3
57.07067	0.9
62.06088	0.4
65.03940	1.2
67.05501	30.1
68.05893	0.2
69.03438	0.4
69.07065	7.1
71.04998	0.7
71.08623	0.3
74.45765	0.2
75.41293	0.2
75.94608	0.2
79.05489	15.7
81.03391	0.3
81.07051	24.8
83.04980	0.7
83.08611	2.4
85.06532	0.6
85.29473	0.2
91.04908	0.4
91.05475	7.2
93.07039	15.7
95.04967	1.4
95.08601	20.0
97.06519	0.9
97.10161	0.7
98.06051	0.4
98.21513	0.6
98.98478	0.6
99.08075	0.4
105.04539	0.3
105.07029	4.4
105.95881	0.2
107.08585	6.5
109.06514	0.8
109.10150	6.4
111.08064	0.6
117.07012	1.5
119.08575	3.3
121.10135	5.5
123.08035	0.4
123.11713	1.7
124.01605	0.7
125.09615	0.3
131.08556	1.7
133.10136	1.8
135.11697	2.4
137.13232	0.5
145.10121	0.9
147.11665	0.7
147.94785	0.2
149.09570	0.3
149.13206	1.1
159.11699	1.2
161.13203	0.6
163.14745	0.5
173.13246	0.8
175.14848	0.4
177.16368	0.3
187.14767	0.2
196.95403	0.2
198.05315	0.4
201.16290	0.2
216.06284	0.7
261.22162	1.0
304.26346	2.6
335.25769	100.0
336.26157	2.1
341.99619	0.2
453.84134	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	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01876	1.8
55.05513	3.1
56.05026	0.7
57.03427	1.1
57.07068	0.7
60.04530	0.7
61.02925	1.4
65.03951	0.8
67.05505	1.3
69.03426	4.0
69.07073	2.9
70.06588	6.6
70.11255	2.7
71.04977	3.0
71.08620	1.4
72.08138	2.8
73.02909	1.3
74.06074	0.7
76.02226	1.1
79.05486	1.4
81.03409	4.4
81.07055	7.0
82.06602	0.6
83.04991	0.6
83.08607	2.0
84.04492	3.0
84.08135	2.4
85.02905	14.3
85.06525	0.6
86.06065	3.3
86.09705	5.6
87.00823	4.9
87.04449	0.6
87.10069	0.7
91.05472	4.2
93.07037	5.7
93.20473	0.6
94.06583	0.8
95.04954	1.2
95.08604	11.1
96.08112	0.9
97.02888	5.6
98.09696	0.8
99.04455	2.5
99.08097	5.9
100.11265	3.3
101.02386	0.6
103.05444	1.0
105.01859	6.8
105.07027	6.7
107.04957	1.3
107.08578	7.5
109.02904	4.4
109.06503	1.1
109.10152	1.9
110.07168	1.4
111.08093	0.8
113.09615	1.0
116.10744	1.5
117.06979	1.2
119.04922	0.9
119.08577	47.2
120.08108	3.3
120.08883	1.0
120.28689	0.6
121.10119	1.6
122.06026	1.2
123.08118	0.7
123.11690	4.7
127.03917	9.0
128.10757	0.8
129.01848	0.7
129.10239	1.7
131.08589	0.7
133.10124	81.9
134.10451	1.9
135.11694	14.5
136.07593	2.0
136.11972	0.7
137.05968	1.6
137.09616	0.8
138.05388	0.6
138.09103	0.9
143.10637	1.3
145.04955	5.6
145.10109	0.7
147.11662	1.8
151.11176	0.6
151.79961	0.6
152.07083	0.6
154.08640	0.6
159.02890	2.3
162.02296	0.7
167.07100	0.7
170.11823	0.8
175.14818	100.0
176.15128	2.8
178.05035	0.6
179.04877	0.8
182.15421	2.0
189.03197	0.7
193.15877	26.4
198.11249	13.4
209.16411	1.1
210.14874	2.4
211.16922	24.3
216.12321	9.8
228.16013	0.8
231.05026	2.3
249.05986	0.9
285.09558	1.0
314.19589	7.0
360.16711	1.3
407.46515	0.6
475.82748	3.1
476.32593	1.6
476.81378	0.8
488.48779	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
54.22539	0.6
55.01846	0.8
55.05512	10.3
57.03431	6.2
57.07059	1.4
61.29992	0.6
62.06089	37.0
63.88373	0.6
65.03930	1.5
65.80878	0.6
67.05505	32.1
69.03429	0.8
69.06719	1.0
69.07068	10.2
70.73494	1.3
70.73858	1.6
71.04995	1.0
79.05487	21.3
81.07054	27.3
81.07533	1.5
83.04961	1.1
83.08616	5.2
85.05305	0.6
91.04978	1.0
91.05484	10.4
93.07042	20.4
95.04967	1.9
95.08604	21.9
97.06526	1.1
97.10155	1.2
98.06043	2.2
98.98460	11.0
105.07031	8.1
107.08586	12.0
109.06533	0.7
109.10155	7.7
111.08097	0.8
111.95481	0.7
116.77563	0.6
117.07027	2.2
119.08574	8.0
121.10142	7.2
123.11700	2.2
124.01619	2.1
125.04601	0.7
131.08556	3.8
133.10144	5.1
135.11685	4.5
137.13290	1.1
142.02617	1.5
145.10109	2.6
147.11679	4.2
149.13243	2.2
155.01065	3.4
157.10112	0.7
159.11711	1.5
161.13242	2.6
163.14818	1.5
173.02141	2.9
173.13249	1.5
175.14835	1.3
177.16397	0.9
180.23947	0.6
187.14787	0.6
198.05273	2.4
211.54338	0.7
216.06334	3.4
243.21031	2.4
261.22110	6.2
297.57809	0.7
304.26285	9.1
317.24796	1.6
335.25787	100.0
336.26172	2.3
415.22479	0.9
458.26685	3.5
476.27570	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	476.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96096	1.2
51.20866	1.2
53.03934	4.0
55.01863	3.8
55.05509	2.8
57.03429	4.7
57.07079	2.5
61.02937	2.4
67.05504	3.1
68.99795	1.9
69.03430	32.3
69.07066	2.2
70.06590	5.8
70.85364	3.6
71.04983	4.9
71.08592	1.9
72.08143	4.1
72.18844	1.2
73.02908	2.9
79.05501	2.3
81.03419	23.8
81.07054	4.5
83.08609	2.0
84.04511	2.5
84.08127	3.8
85.02909	82.0
86.09705	3.8
87.00831	38.1
87.44568	1.3
91.05473	4.7
93.07027	3.7
94.96970	1.3
95.04967	1.6
95.08614	2.2
97.02895	55.0
97.10165	1.4
99.04459	11.9
105.01868	100.0
105.07040	2.2
107.04929	2.4
107.08574	2.7
108.04473	6.2
109.02885	41.3
109.06576	1.9
117.07060	1.9
119.08616	3.2
120.08088	2.6
121.06494	3.1
121.10131	1.9
125.09600	1.8
126.05521	3.1
127.03921	92.7
128.04314	1.5
129.10185	1.3
133.10202	1.9
135.08041	1.4
137.05995	2.4
140.11740	1.3
145.04961	34.2
147.02899	1.6
147.11580	2.1
155.40356	1.5
159.02855	5.9
165.09164	1.7
173.05931	2.0
184.07408	1.2
189.03828	2.1
213.03876	8.1
230.06657	2.0
231.04977	40.6
248.07661	6.2
249.06076	36.6
266.08728	19.8
284.09415	1.6
346.39645	1.6
387.18427	1.6
396.22632	2.0
420.57178	1.5
458.26181	2.0
476.28775	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	476.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01860	4.1
55.05503	1.2
57.03424	3.8
61.02923	4.7
61.40350	1.1
68.58539	1.1
68.99773	1.6
69.03429	33.8
69.07039	1.5
69.22109	6.7
69.22535	5.4
71.04985	4.8
73.02911	3.2
77.28218	1.1
81.03416	30.9
81.07082	1.5
85.02901	86.5
85.73112	1.2
87.00312	2.3
87.00829	36.7
87.01363	2.4
97.02887	60.6
98.03198	1.1
98.06042	1.3
99.04456	9.4
105.01863	100.0
107.04947	1.2
107.08582	1.6
108.04473	4.8
109.02874	39.9
117.01845	1.8
120.73274	1.3
125.14375	1.1
126.05535	2.6
127.03917	86.2
129.01831	2.7
132.41049	1.1
137.33821	1.3
143.84081	1.2
145.04964	31.3
147.02797	1.6
150.09171	3.7
157.83696	1.3
159.02901	7.1
171.02742	1.6
189.04004	3.2
207.26602	1.1
213.03923	7.6
230.06349	1.6
231.05003	37.0
248.07646	5.7
249.06033	31.7
266.08710	16.8
312.35938	1.2
329.01749	1.9
361.18375	1.7
400.68240	1.4
476.29288	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	476.1914
Annotation	Dauricoside
Peak:m/z	Relative Intensity
55.01868	2.2
55.05505	5.1
56.04758	1.7
56.05032	28.0
57.49793	1.4
60.04509	3.3
61.01140	12.9
61.12864	1.2
69.03414	3.8
69.07056	2.1
69.75148	8.6
70.06588	34.8
72.08152	48.8
74.06094	1.7
74.93568	1.3
81.03401	1.9
81.03890	1.2
82.06549	3.4
83.06113	3.3
84.04492	6.5
84.08133	10.9
85.02890	5.6
86.09702	38.1
87.05597	6.6
87.10042	2.9
88.04010	2.3
89.03898	4.9
91.05470	10.7
93.07008	7.7
95.04958	3.7
97.02895	1.9
98.02403	5.6
98.20730	2.0
102.05512	2.2
103.05447	8.0
103.56344	1.4
104.05329	15.3
105.60596	1.4
107.04950	3.6
108.04474	1.8
110.07159	5.2
110.76102	1.4
111.04456	1.5
116.07072	2.1
117.03397	14.8
119.04932	11.7
120.08103	15.8
121.06499	37.0
124.03979	1.5
125.06304	1.8
125.07092	9.9
127.03871	1.5
127.08615	1.8
129.10213	6.2
130.08646	1.6
131.05043	2.4
132.10170	3.0
136.07571	5.0
137.05949	13.0
145.02840	50.3
147.04402	64.8
149.05978	5.8
151.07562	2.5
152.07085	1.6
153.06575	14.5
155.08133	2.3
158.09949	1.9
159.05830	7.8
159.09128	1.5
162.05470	2.1
163.03931	3.5
168.10202	2.7
170.09238	30.1
177.05464	100.0
178.05824	2.2
192.11298	2.4
201.07001	1.8
204.06560	1.7
215.13902	3.9
218.09602	25.3
229.06471	4.3
231.17046	6.8
240.11647	5.3
246.09088	32.6
254.09337	1.5
263.14532	1.4
265.08459	2.4
286.12180	2.0
294.09698	1.5
310.11984	1.5
314.13861	90.1
315.14059	1.5
317.16422	2.3
328.13370	2.8
345.15851	20.3
448.86191	1.5
473.61160	1.8
476.17621	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	475.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
53.96277	0.7
55.01862	2.3
55.05514	6.8
57.03164	1.2
57.03437	16.7
57.07072	41.1
61.02927	49.2
67.05505	12.3
67.25299	0.8
69.03429	20.1
69.07064	9.2
71.01347	2.9
71.04996	4.1
71.08633	31.0
71.51917	1.1
73.02917	22.0
75.04473	1.7
79.05489	1.9
81.03416	14.8
81.07056	19.7
81.37682	0.9
83.01328	0.8
83.04986	1.8
83.08624	17.1
85.02904	49.8
85.06529	0.9
85.10178	15.7
85.77048	0.8
87.04467	3.5
89.06030	1.2
91.03952	31.9
93.07055	1.6
95.08604	28.4
97.02891	42.8
97.10150	8.0
99.04458	8.1
99.11687	1.3
101.02372	12.1
103.03950	6.2
103.07566	1.2
107.08590	1.0
109.02872	9.6
109.10152	14.7
111.04417	1.5
111.11716	1.4
113.13240	1.1
115.03907	3.2
117.05490	2.8
117.07075	0.8
119.82222	0.8
123.11699	7.0
125.13289	1.7
127.03903	19.6
129.05496	4.8
137.13260	2.8
138.78575	0.7
141.05441	1.0
145.04970	8.6
151.14763	0.9
159.06514	2.2
183.06516	5.2
201.07579	5.0
211.03690	0.8
221.22678	2.7
239.23686	26.5
257.24701	4.8
298.27411	1.2
313.27353	100.0
314.27679	2.5
341.26886	4.7
355.28580	2.5
367.28284	1.0
383.28049	1.2
385.29407	1.1
457.31567	4.8
475.32635	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	476.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06190	0.5
55.01855	0.5
55.05499	1.0
55.58037	0.6
56.05017	2.0
60.04508	2.2
61.02911	0.9
63.01171	0.5
65.03925	1.4
66.15736	0.5
68.04987	0.5
69.03413	3.3
69.07054	1.4
70.02213	3.3
70.02953	0.7
70.06590	13.1
72.08149	13.6
73.08475	1.0
74.06070	3.0
76.02224	0.6
81.03378	1.3
83.06101	0.9
84.04504	7.6
84.08134	9.3
85.02894	3.8
85.04826	0.7
85.08474	0.6
86.06049	0.9
86.09702	18.4
87.05589	0.7
87.10014	1.6
88.03977	2.4
89.03886	1.0
91.05476	29.2
97.02879	2.1
101.07126	1.7
102.05524	2.8
104.05269	1.1
106.06571	0.7
107.04931	2.5
108.04429	1.6
109.06508	2.0
110.07150	2.6
110.09658	0.6
113.07043	0.5
116.07105	2.7
117.03386	1.4
119.04936	18.3
119.05800	1.0
120.08099	1.7
121.01099	0.6
123.04442	0.7
127.03894	0.9
127.08617	0.8
129.06552	1.3
129.10223	5.1
130.05005	1.1
132.10179	0.6
134.05998	0.7
135.04376	3.8
136.07585	1.7
137.05968	63.8
143.04845	0.7
144.06606	1.4
145.02832	2.3
145.09677	0.9
147.04414	2.1
148.06058	1.3
149.00508	0.8
150.05464	0.7
151.06297	0.8
152.07077	4.8
155.11719	0.8
158.09923	0.7
161.05942	1.7
163.03889	18.0
164.07004	1.0
171.11259	0.9
173.12900	1.0
177.07874	1.1
178.04982	75.2
179.05267	0.6
183.11313	0.8
185.16322	0.6
190.04979	3.7
191.05782	3.6
194.00255	0.6
195.11359	0.6
201.12286	1.6
203.12054	0.7
204.12457	0.9
205.06477	0.8
209.02675	1.7
216.09886	1.1
219.13408	0.9
223.07603	1.7
227.10252	0.7
228.10428	0.7
229.11884	0.8
230.12007	1.1
231.12025	0.9
244.11522	0.6
247.12900	0.9
248.10197	0.6
250.06317	0.6
251.06993	2.5
258.14282	0.7
262.14703	0.7
266.08054	0.6
278.05676	0.7
278.10257	1.6
283.09613	0.8
293.08154	2.0
296.11295	2.1
309.09909	0.7
311.09201	1.1
314.10175	53.3
315.10529	1.0
324.12344	2.5
325.22336	0.6
342.13458	4.5
345.09863	0.7
458.15933	0.6
476.15506	100.0
477.15753	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	474.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01802	5.5
55.05494	19.4
57.03429	7.9
59.13951	5.5
60.03130	5.4
62.06080	63.8
66.44682	4.8
67.05501	42.2
69.07058	20.2
69.84142	21.1
69.84559	10.2
70.06571	15.4
70.30039	5.7
72.08128	6.4
73.20947	4.3
75.74812	4.8
79.05486	39.3
81.07045	32.6
82.07356	7.6
83.04947	7.6
83.08587	8.5
84.08156	5.7
86.09692	6.2
91.05459	42.5
93.07043	49.0
95.04961	15.0
95.08595	28.8
97.06483	5.1
98.98443	19.4
99.01212	5.1
105.07040	46.3
107.08555	24.6
109.10120	16.0
117.07030	17.5
119.08577	36.8
121.10105	19.9
123.11723	5.1
129.07021	9.8
131.08530	16.5
133.10103	19.9
135.11659	6.7
137.05872	5.6
143.08551	6.2
145.10092	17.3
147.11693	25.4
157.10117	10.6
159.11711	12.1
161.13246	13.1
171.11617	8.8
173.13264	11.7
175.14832	12.9
187.14894	5.8
216.06279	9.1
241.19528	20.0
259.20590	42.6
302.24582	17.7
315.23172	12.7
333.24222	100.0
334.24371	6.7
413.20688	16.0
489.13968	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	474.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.7
56.05033	6.7
57.05795	1.0
60.04514	1.6
61.73006	0.7
67.05503	0.9
68.05023	1.0
69.03429	1.3
69.07065	5.1
69.63807	5.0
70.02955	3.1
70.06590	17.0
72.08151	100.0
73.08484	1.8
74.06076	3.3
75.07536	0.9
81.03432	1.0
82.06600	1.2
83.06094	4.0
84.04500	71.3
84.08142	15.6
85.02903	1.9
85.04083	0.9
86.09701	89.7
87.05584	7.3
87.10030	6.7
88.03995	2.8
89.03901	3.6
91.05479	3.0
96.04510	0.8
96.08131	1.9
97.02895	0.9
98.02419	1.9
101.07164	3.8
102.05534	23.6
102.06190	1.3
104.05360	1.4
104.07092	1.6
107.04961	1.6
108.04474	0.9
109.02842	1.1
110.02401	1.3
110.06035	1.5
110.07190	2.2
111.05545	1.0
112.07558	1.1
112.08707	1.6
115.08654	1.2
116.07088	1.1
117.03366	12.3
119.04929	4.7
120.08121	3.2
124.03995	0.8
124.07603	1.7
126.05516	1.0
127.08689	1.8
129.06532	3.7
129.10242	9.0
130.04985	1.9
131.11824	1.2
132.10185	6.4
133.06099	2.2
134.05968	0.9
135.04414	2.5
136.03966	3.8
136.07579	3.8
139.04979	4.5
141.10208	8.7
143.11795	1.7
145.02837	39.3
145.06488	3.7
146.03107	0.8
147.04402	20.4
147.05534	1.3
147.07617	1.9
148.06044	2.4
149.05939	4.7
152.07033	5.3
152.10687	0.8
153.06584	1.1
155.08185	2.4
155.11812	1.2
156.10223	1.2
157.06102	6.0
157.09702	1.1
162.05493	2.1
164.06996	0.8
166.04955	4.3
166.08571	1.3
167.08197	1.2
169.09723	5.4
171.07681	1.1
177.05466	85.5
178.05830	2.7
181.06065	16.3
183.11368	2.6
183.14880	1.0
186.05606	0.8
186.12335	4.1
187.10797	0.9
187.14453	1.0
188.07150	1.1
195.07565	1.3
197.12857	1.3
198.08788	3.3
199.07133	10.6
199.08658	1.0
199.18030	3.7
200.13954	1.9
200.18355	1.9
201.12346	6.1
209.05516	5.7
211.10841	1.4
214.11790	1.7
215.13861	1.7
216.09816	4.6
217.15541	1.3
218.08080	1.3
226.08232	21.4
227.06621	4.2
227.17592	3.1
228.13441	2.3
228.17957	2.9
229.11848	3.6
231.17032	10.4
242.15103	2.4
243.13414	1.4
244.09276	38.9
246.14491	2.1
247.12877	8.1
248.13191	3.5
254.67397	0.7
259.09326	1.8
260.16144	1.8
260.19510	0.9
262.11777	1.1
269.10635	0.8
275.16202	1.2
280.12921	10.4
297.15552	19.9
297.18716	1.3
298.13962	1.7
312.12271	19.2
313.12625	1.7
315.16675	2.3
325.15060	10.5
327.24753	1.2
343.16135	10.8
393.21112	4.3
411.22397	1.6
438.23306	1.1
456.24667	2.5
474.17569	1.3
474.30804	1.0
475.16205	3.3
491.99942	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	474.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04744	1.6
51.15200	1.4
53.03926	1.9
55.01893	1.6
55.05502	3.8
57.07061	2.8
67.05495	8.8
69.03418	6.3
69.07053	2.7
69.85556	8.7
70.06581	6.5
71.04996	3.3
72.08138	2.5
75.55594	1.5
79.05484	6.1
81.03416	4.9
81.07034	7.0
81.24374	1.7
83.08607	2.4
84.04501	2.9
84.08121	3.2
85.02907	10.6
85.06535	2.9
86.09702	4.9
87.00826	4.3
91.05466	8.3
93.07030	5.0
94.58473	1.8
95.04961	7.5
95.08590	7.1
97.02911	3.7
98.20804	2.3
100.11280	2.7
105.01805	3.6
105.07035	8.3
107.04974	2.4
107.08616	8.0
109.02871	2.4
109.06517	100.0
109.10155	25.8
111.08073	2.2
117.07003	3.3
119.08586	3.5
120.08076	3.8
121.10133	4.8
123.08067	13.7
127.03922	6.4
128.32082	1.4
129.53589	1.6
130.04967	1.7
131.08537	12.5
133.10110	7.9
135.08049	39.0
135.11765	1.7
136.07576	1.8
145.10085	2.5
147.11699	3.5
149.09615	3.7
149.13213	2.8
150.09169	4.0
153.09094	4.0
158.10863	2.1
159.11769	1.8
165.08998	2.0
173.13225	17.3
191.14301	72.1
206.75179	1.7
209.15356	67.1
249.10248	2.8
261.10156	1.7
262.10956	9.4
263.11746	3.4
275.32626	2.1
279.11090	1.7
291.11270	4.0
293.12421	2.4
301.58902	1.6
309.12189	2.8
321.12292	13.4
325.11774	2.3
337.11740	6.7
446.20395	2.2
473.40021	1.8
474.20248	16.6
474.27167	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	474.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
61.02932	0.3
63.02380	0.5
69.03416	0.8
70.06586	1.1
71.03059	0.3
71.03381	0.5
72.08153	1.2
76.43468	0.3
81.03429	0.3
84.04500	0.5
84.08143	1.6
85.02900	2.9
86.09705	3.1
89.03910	4.1
91.05466	0.9
97.02901	0.8
102.05499	0.4
103.05463	0.3
107.04955	0.4
117.03379	15.4
117.07042	0.5
119.04932	0.9
121.02832	0.6
121.06467	0.3
121.43999	0.3
127.03907	0.6
129.10228	0.8
134.03632	1.1
135.04436	1.4
136.07562	0.7
137.05969	0.6
143.04909	0.4
145.02840	46.9
145.06493	5.0
146.03172	0.5
147.04442	2.5
149.05992	5.6
152.07082	0.6
155.06042	0.4
162.05473	1.1
163.03912	0.7
175.07544	0.9
176.07018	0.3
177.05466	100.0
178.05904	0.8
186.05504	0.9
188.07080	1.9
189.60008	0.3
198.29010	0.3
244.09326	0.7
286.13889	0.3
291.28827	0.3
312.12283	20.6
334.60266	0.3
390.25452	0.3
391.04938	0.3
474.17590	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	474.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.8
55.01848	1.9
55.05500	2.4
57.03420	2.0
61.02901	1.3
67.05491	3.5
69.03421	7.8
69.07059	2.0
70.06574	4.3
70.93716	3.1
71.04977	2.7
72.08134	1.9
73.02899	1.5
79.05499	2.6
81.03413	6.4
81.07040	4.0
84.04473	1.8
84.08154	1.8
85.02900	13.2
85.06530	2.3
86.09700	4.5
87.00806	5.1
91.05479	5.6
93.07035	5.2
95.04955	4.2
95.08600	4.4
97.02903	4.7
97.06525	3.5
99.04437	2.3
102.05534	1.4
103.05479	1.2
105.01863	5.6
105.07017	13.3
107.08593	6.5
109.02855	4.3
109.06511	46.3
109.10143	11.9
110.07109	1.0
111.08125	1.0
117.07014	2.4
119.04939	1.2
119.08589	6.6
120.08080	1.0
121.06482	2.6
121.10136	3.6
123.08038	6.5
127.03905	8.5
129.06990	1.6
131.08565	21.7
133.10124	61.8
135.08046	18.1
137.05923	1.7
138.09077	1.4
143.08553	1.7
145.02827	2.0
145.04929	3.4
145.10092	5.4
147.11650	5.1
149.09621	2.8
149.13229	2.7
153.09174	1.4
156.06535	1.0
158.10907	4.0
159.02895	1.4
163.07466	1.0
163.14763	1.1
173.13258	46.0
175.14851	1.8
177.05438	4.9
191.14297	100.0
192.14796	1.2
209.15350	33.0
231.05063	1.1
248.90907	1.2
330.44730	1.1
431.48648	1.3
454.21191	1.3
474.17072	3.7
474.27414	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	474.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35750	0.1
53.36126	0.2
55.05506	0.5
56.05029	0.6
56.82787	0.2
57.03425	0.2
60.04515	1.3
61.02925	0.2
63.02360	0.4
69.03432	0.9
69.07063	0.6
70.02951	0.4
70.06586	2.8
71.06936	0.2
71.54375	0.3
72.08153	8.8
74.06086	0.6
78.04717	0.2
79.05495	0.3
81.03408	0.2
83.06104	0.3
84.04501	5.6
84.08143	3.4
85.02899	1.4
85.07655	0.2
86.09701	9.9
87.05592	0.8
87.10050	0.6
88.03974	0.3
89.03906	4.3
89.04430	0.3
91.05486	1.1
91.05960	0.2
95.04884	0.2
97.02907	0.4
101.07125	0.3
102.05537	2.2
103.05453	0.3
106.04184	0.2
107.04948	1.1
110.05997	0.3
110.07169	0.4
115.05479	0.3
115.08689	0.2
117.03370	17.8
117.06998	0.5
118.03694	0.3
119.04932	0.6
120.08087	0.6
121.02837	0.6
124.07581	0.2
127.08633	0.3
129.06595	0.4
129.10239	2.1
130.05000	0.5
131.04976	0.2
132.10245	0.3
134.03583	0.9
134.05971	0.2
135.04420	1.6
136.03912	0.3
136.07565	1.1
137.05957	0.7
139.04994	0.4
141.10201	0.6
143.04860	0.3
143.11769	0.2
144.04379	0.3
144.06549	0.2
145.02838	50.4
145.06474	4.2
146.03114	0.9
147.03362	0.2
147.04402	1.3
147.07587	0.8
148.06047	0.2
149.05972	6.0
152.07080	1.4
155.06010	0.3
155.11742	0.3
157.06061	0.6
157.09712	0.2
158.06032	0.3
162.03055	0.2
162.05486	1.5
163.03874	0.6
164.07097	0.2
166.05002	0.2
169.09747	0.6
173.09239	0.2
175.07460	0.7
176.07097	0.5
177.05460	100.0
178.05791	1.8
181.06055	1.1
183.11253	0.3
186.05481	1.4
186.12363	0.2
187.14343	0.2
188.07057	1.3
191.10768	0.2
192.06401	0.2
197.12865	0.2
199.07149	0.6
199.17992	0.4
200.14009	0.2
201.12285	0.7
206.08032	0.2
209.05539	0.2
214.11833	0.4
226.08249	1.1
227.17648	0.3
228.13220	0.2
229.11737	0.6
231.16974	0.8
244.09251	2.1
246.14368	0.3
247.12880	0.5
260.15970	0.2
280.12943	0.2
288.12115	0.2
289.02335	0.2
297.15524	0.8
312.12277	22.0
313.12515	0.4
325.14917	0.7
325.18417	0.2
343.16000	0.6
393.21078	0.3
427.55280	0.2
456.25174	0.3
457.26559	0.2
474.18259	1.2
474.29117	0.3
475.17441	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	474.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38710	0.3
61.80425	0.3
69.07053	0.8
69.56091	0.3
70.02953	0.4
70.06586	0.5
70.76838	0.8
72.08133	0.9
73.12801	0.3
73.51846	0.3
82.58376	0.3
83.06110	0.8
84.08127	0.9
86.09702	7.8
87.05584	1.5
95.06084	0.5
96.04496	0.6
99.59491	0.3
104.04991	0.4
105.03420	0.8
105.05751	0.4
111.05563	3.6
119.59505	0.3
120.04476	2.5
123.05549	1.0
124.05103	0.3
125.05874	0.8
126.06648	3.0
129.10240	0.4
130.06573	0.3
132.04451	24.2
134.06015	5.1
137.04684	2.1
146.02370	0.4
151.06148	11.0
152.38449	0.3
164.78627	0.4
165.07626	0.3
168.02927	0.4
177.04097	0.4
189.05086	0.7
194.06747	4.8
195.01128	0.7
195.07513	1.1
199.18030	1.9
201.22476	0.3
202.09778	1.7
208.08192	0.4
214.03546	0.4
214.09779	0.5
215.08176	0.5
216.11383	0.6
227.09215	0.5
227.17517	0.6
230.09283	1.4
231.06157	1.1
232.10825	0.9
242.09239	5.5
248.08801	1.8
252.08711	0.4
255.08716	0.8
257.10291	4.7
258.08868	0.5
259.11899	10.8
284.11362	4.3
302.12448	14.8
327.11905	3.4
345.13052	100.0
346.13330	2.2
456.16388	0.8
474.17371	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	473.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.5
55.01868	0.5
55.05510	8.0
56.05037	1.5
56.29776	0.3
57.03442	0.6
57.05811	1.6
58.64708	0.4
64.67205	0.3
67.05498	0.8
69.03433	1.2
69.07058	2.2
70.06590	6.3
71.04984	0.6
71.57590	0.4
71.58009	0.5
72.08154	100.0
73.02925	0.6
73.08495	0.6
74.06074	0.5
79.05495	0.6
81.03413	1.6
81.07063	0.8
83.04987	0.7
84.04504	6.8
84.08132	3.4
85.02913	2.8
85.08463	0.5
86.09704	50.2
87.10054	0.8
88.03983	0.9
91.05486	1.3
92.08502	0.4
93.07043	0.5
95.08617	0.7
97.02901	1.0
99.04514	0.4
99.08074	0.5
102.05545	11.5
103.05465	0.6
105.01890	0.5
105.07034	0.8
105.77693	0.4
107.04918	0.7
107.08606	0.6
109.02880	1.2
109.06521	1.0
109.10148	0.9
110.07157	1.2
111.04508	0.4
116.07077	0.6
119.05008	0.6
119.08612	0.5
120.08121	2.6
121.06508	0.8
121.10110	0.5
123.08057	3.6
127.03933	1.4
129.10258	1.6
130.05023	0.9
130.06599	0.4
132.10231	0.8
133.10153	0.8
136.07576	0.9
137.06006	1.0
138.09172	1.1
139.11253	0.5
146.11754	20.1
147.04471	0.6
147.11684	0.5
149.09673	0.7
151.07564	1.0
155.11772	0.4
156.10243	1.6
165.09079	0.8
183.11293	4.5
185.16527	1.3
199.18036	0.4
201.12344	26.5
207.13676	1.9
221.00996	0.5
225.14949	1.4
227.17679	0.6
229.11832	48.0
245.18613	26.6
267.06702	0.4
283.16678	0.6
328.18661	6.7
334.10980	0.4
342.20236	1.2
356.21878	0.5
374.23004	0.6
411.17130	0.4
473.30737	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	473.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04107	1.6
55.05500	15.0
56.96562	2.7
57.03168	3.6
57.03434	58.5
57.07064	4.1
65.03938	2.7
67.05500	61.5
69.03426	2.7
69.07064	17.4
69.36713	14.9
71.08611	1.7
73.02902	1.8
79.05485	13.3
81.03391	1.6
81.07053	60.6
81.07534	3.1
81.22257	1.5
83.08602	9.4
85.02901	2.2
91.05479	9.7
91.77238	1.5
93.07040	15.9
95.04987	1.8
95.08601	48.9
97.06519	3.3
97.10154	6.6
98.98460	100.0
105.07029	9.5
107.08598	9.0
109.10152	19.6
111.11771	2.5
116.99489	4.6
119.08592	9.0
121.10157	8.6
123.11699	7.4
133.10109	7.4
135.11671	5.7
136.93123	2.0
136.99979	74.2
137.13281	2.6
140.01033	2.5
147.11632	5.6
149.13231	4.2
154.94124	7.8
155.01031	92.8
161.13289	4.5
163.14784	3.0
172.95238	17.5
175.14769	3.2
178.02667	3.1
189.16347	2.5
190.96260	10.8
193.02614	15.0
195.96800	2.8
210.96782	2.6
211.03665	33.1
228.97838	7.1
245.22588	7.1
263.23660	4.8
265.04562	2.0
311.25610	4.4
319.26355	3.3
337.20435	6.1
337.27374	40.4
455.18964	2.1
473.19608	24.1
473.26495	64.0
474.26645	4.1
496.20953	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85151	1.3
53.03940	3.1
55.01871	3.1
55.05498	4.1
56.05047	2.0
57.03451	1.6
60.04501	2.7
67.05492	4.6
69.03436	10.2
69.07070	7.0
70.06594	31.7
71.04988	3.5
71.06911	1.8
71.51273	2.7
72.08156	15.9
73.02901	1.4
74.06068	2.1
79.05493	3.4
81.02991	1.3
81.03402	8.2
81.07059	5.1
83.05006	1.9
83.06096	1.9
84.04494	9.0
84.08157	13.3
85.02901	20.7
85.06525	5.0
86.09706	100.0
87.00825	5.7
87.05564	1.6
87.10033	2.7
88.03979	1.6
91.05473	10.9
93.07046	12.0
95.04955	4.2
95.08602	3.8
97.02905	6.8
97.06541	3.2
99.04480	4.1
105.01868	4.2
105.07040	15.6
107.04958	1.9
107.08594	30.8
109.02875	7.2
109.06505	7.8
109.10154	6.0
110.07159	5.5
111.08071	1.9
117.01917	1.5
119.04933	4.7
119.08582	17.9
120.08090	7.4
121.06535	9.1
121.10129	13.9
123.08118	9.0
123.11694	1.7
125.09610	1.6
127.03922	12.3
129.10249	8.8
131.08597	7.0
133.10112	4.0
135.08086	3.4
135.11661	2.0
136.07599	2.3
137.05948	2.1
137.09598	22.1
143.08592	2.3
143.11789	4.5
145.02811	2.6
145.04953	3.6
145.10146	2.4
147.04419	11.3
147.08038	5.7
147.11699	21.6
148.04721	3.7
149.04990	2.5
149.09604	18.0
149.13261	4.3
152.07086	2.1
156.09373	3.2
159.02878	4.3
159.11641	7.1
161.13248	15.9
162.07675	2.9
163.03934	3.9
163.11215	1.8
165.12741	4.4
166.08659	2.7
167.10675	37.8
171.11656	7.2
177.05489	3.8
177.12727	26.0
185.16452	1.5
189.12746	35.1
189.14471	2.2
190.13145	1.4
195.13818	3.4
199.10774	2.1
199.18063	14.4
207.13805	54.2
212.02586	1.4
213.12416	3.4
213.15935	2.5
225.12628	2.8
225.14848	45.1
227.17567	12.4
247.12883	12.9
261.14389	3.3
297.89246	1.4
305.70547	1.5
473.15570	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	473.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.05505	1.1
56.05026	0.7
57.82206	0.3
60.04527	0.4
61.01153	0.6
64.90092	0.3
65.11206	0.4
67.05485	0.4
69.03418	0.9
69.07063	0.9
70.06590	7.8
71.59814	0.4
72.07761	0.5
72.08152	8.9
73.02898	0.4
79.05441	0.4
81.03458	0.3
81.07037	0.4
84.04500	1.9
84.08132	1.7
85.02901	1.0
85.04819	0.3
86.09705	22.4
87.10046	0.7
88.03987	0.5
91.03936	0.4
91.05453	0.6
93.07032	0.7
97.02879	1.0
98.70744	0.3
101.07138	0.6
102.05521	1.1
109.02864	0.3
110.07160	1.0
112.08705	0.5
116.07071	1.1
118.06872	5.0
119.04905	0.4
120.08092	2.1
121.06537	0.4
123.08059	0.5
127.03948	0.7
129.10245	1.1
130.04964	0.4
130.08661	0.5
132.10210	1.1
136.07623	0.7
137.05954	0.4
143.01932	0.5
143.03145	0.6
145.02840	0.5
147.04398	1.3
148.06073	0.6
152.07047	0.4
161.02925	0.7
163.03902	0.5
164.07076	0.8
176.07095	0.8
177.05492	1.0
177.07867	0.6
183.11266	0.7
185.16464	1.6
197.12962	0.5
199.18040	0.8
201.12354	1.3
203.05286	4.8
207.13879	0.8
213.16035	2.2
215.13918	1.7
227.17397	0.4
229.11812	0.5
231.15128	1.6
231.17131	1.2
242.15233	0.5
243.13377	3.4
243.15366	0.5
245.05101	0.6
245.18871	0.5
247.12630	0.3
249.14700	3.7
251.11203	0.6
251.12682	0.4
259.14774	2.0
261.14453	1.3
269.12460	0.5
275.16266	0.5
293.13153	1.2
302.17236	0.4
311.14648	13.7
320.18839	0.4
342.20386	0.6
353.14630	0.4
358.21533	1.5
386.13318	0.3
386.46515	0.3
411.19720	1.2
413.17264	0.8
429.22467	0.5
451.23816	1.1
473.19946	100.0
474.20291	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	471.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55542	0.3
55.05508	0.5
55.53087	0.3
56.05029	1.3
57.05815	0.5
60.04509	0.4
60.38498	0.3
66.46883	0.3
67.05486	0.3
69.03426	0.3
69.07062	6.3
70.06586	22.8
70.71206	1.1
71.04993	0.2
71.06924	0.6
72.08149	4.3
74.06061	0.8
75.94418	0.2
81.03391	0.5
84.04498	16.0
84.08141	4.2
85.02890	1.0
85.07666	0.6
86.09698	100.0
87.10011	1.5
91.05479	1.4
97.02859	0.4
97.06514	0.5
99.05494	0.3
101.07133	0.6
102.05542	3.4
107.04918	0.3
110.07137	1.4
112.08733	0.5
116.07081	30.7
117.07414	0.3
119.04900	1.4
120.08089	3.6
129.10245	2.5
130.04999	0.6
135.04364	0.3
136.07579	3.4
145.02844	0.6
147.04395	7.1
147.07640	0.4
152.07076	0.4
155.11774	0.3
156.07654	0.3
159.09204	0.4
161.09315	0.4
163.03865	0.4
166.08592	0.3
169.13292	0.4
174.96886	0.6
175.03865	0.4
177.05574	1.6
181.09682	2.8
187.10663	0.4
188.25023	0.3
197.12793	0.6
199.18042	26.9
200.18285	0.7
207.06392	0.4
209.06265	0.3
209.09215	2.6
215.13832	1.6
227.10245	38.7
227.17522	22.7
228.10724	0.7
228.17850	0.5
243.13397	3.0
245.11330	5.2
283.14221	1.1
308.56577	0.3
311.13745	0.4
328.22122	0.9
338.20303	0.4
350.91187	0.3
351.05115	0.5
356.17599	0.4
356.21777	7.3
356.47375	0.3
358.19772	0.6
380.46960	0.3
409.86865	0.3
456.52527	0.4
471.28204	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	472.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12054	2.3
60.51072	2.1
61.02914	2.1
66.39541	2.1
67.05489	3.2
69.03428	4.4
70.10750	11.3
73.02898	2.5
81.07032	3.0
84.08123	2.9
84.51299	2.2
85.02918	10.3
86.09704	2.6
95.08605	2.4
97.02878	6.1
98.20713	2.3
105.07022	5.0
106.06550	3.5
107.08563	4.9
119.08551	2.5
121.10092	2.7
133.10109	10.3
134.06018	19.1
135.05183	2.4
135.11702	2.6
147.11717	3.2
149.02332	2.5
161.13214	6.1
162.05507	87.3
169.06274	2.3
186.05511	37.3
193.11888	2.0
199.06311	3.8
200.07088	6.8
202.16644	2.9
212.07053	16.7
212.89551	2.3
224.07063	5.5
238.08615	9.7
252.10257	4.8
254.11790	3.6
266.11765	6.7
267.12427	2.4
281.14078	3.0
310.18011	100.0
331.20508	2.2
472.23035	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	473.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34580	0.5
54.60570	0.6
55.01865	3.7
70.02906	1.1
70.06550	1.4
70.61809	1.1
72.08130	0.8
74.00623	1.1
74.95724	0.5
76.02185	0.7
83.06072	1.5
84.04502	14.2
84.08127	0.8
86.09653	0.6
88.03950	0.8
92.81329	0.5
93.12273	0.6
99.05546	1.3
102.05484	0.9
102.97158	0.5
107.04932	1.0
107.06007	2.1
108.04396	0.7
109.07653	4.9
110.06011	0.8
112.03960	4.5
123.02600	2.2
123.04335	0.6
126.03659	0.6
126.97067	0.6
129.06586	3.1
130.04990	18.4
135.02646	0.7
135.04456	0.8
135.05493	1.4
136.05109	1.0
137.05876	0.7
139.02124	3.1
145.06071	3.3
147.02629	4.5
149.00504	2.1
151.01004	0.9
151.02126	11.1
153.05638	0.7
153.06598	7.6
154.03143	0.8
155.01569	0.7
155.08147	4.4
157.03096	0.7
163.02094	4.5
164.07062	1.0
165.03648	1.1
165.07858	11.0
167.01607	7.8
168.02376	1.6
169.03171	13.8
175.02138	7.8
180.04716	2.2
181.03104	2.9
181.06024	4.1
187.07121	0.9
192.04712	0.9
193.03192	22.2
194.03442	0.8
195.04660	0.9
198.05843	4.5
199.07144	11.1
200.07387	17.4
207.04700	2.1
210.05803	1.4
211.07104	1.0
224.07426	4.2
239.03662	0.9
256.09259	5.8
257.07590	0.9
274.10306	0.6
283.07474	1.3
287.10587	2.6
295.07593	0.8
296.05978	3.7
313.08463	1.3
327.10147	3.5
344.12735	100.0
345.13092	2.2
380.12589	1.4
398.13931	1.0
410.13818	1.4
455.16028	7.2
473.17014	25.0
473.28098	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	471.1817
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
56.96310	1.1
56.96563	13.7
60.86229	0.7
67.05491	1.1
71.52216	1.2
71.95278	1.6
72.96037	0.9
79.20335	0.7
84.96011	1.5
89.25934	0.6
95.08596	1.2
102.92583	2.8
103.44180	0.7
110.97589	1.4
118.92043	1.8
119.08568	0.8
128.98602	2.7
136.93114	13.5
146.99617	3.6
154.94162	39.9
172.95233	92.0
173.83920	0.6
177.95784	2.6
189.04399	1.2
190.96280	61.4
192.95758	1.4
195.96849	10.3
198.96869	0.8
208.97404	1.1
210.96759	12.2
211.06235	0.9
212.98383	1.9
213.97905	5.7
216.97795	1.8
217.95937	0.7
218.98340	1.1
220.65179	0.9
228.97844	36.5
230.99368	1.0
233.98424	2.5
245.10477	1.0
246.98973	4.7
251.99374	3.8
279.12653	0.8
289.68030	0.8
304.07904	0.7
312.47977	0.7
315.16324	1.9
317.17877	63.0
318.18225	2.7
333.17459	2.6
335.18918	30.3
358.20520	13.0
373.20425	1.4
397.14502	5.7
411.16141	1.7
453.17108	51.5
454.17621	2.3
471.18195	100.0
472.18594	4.1
474.17111	0.6
494.19858	20.7
495.20050	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	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67727	1.5
53.03942	3.8
55.01875	2.5
55.05507	4.6
56.05027	3.4
57.03441	2.0
60.04518	2.0
61.01115	1.3
61.02920	2.5
61.49022	1.3
67.05501	3.3
68.90180	1.5
69.03424	9.4
69.07065	8.1
69.09944	1.1
70.02937	1.4
70.06590	29.1
71.04990	3.2
71.54623	2.6
72.08156	18.4
73.02931	1.5
74.06062	2.8
79.05483	3.9
81.03416	7.3
81.03829	1.3
81.07056	5.4
83.04958	1.6
83.06124	1.6
84.04505	6.3
84.08142	14.8
85.02898	18.6
85.06538	5.0
86.09704	100.0
87.00838	6.5
87.05572	1.6
88.04039	1.4
91.05492	10.3
93.07034	9.1
95.04951	2.9
95.08606	5.2
96.56403	1.2
97.02888	4.5
97.06505	2.8
99.04445	2.9
99.08077	1.7
101.07133	1.5
101.46754	1.3
102.05562	2.0
104.05350	1.8
105.01831	2.5
105.07029	13.8
107.04967	2.3
107.08591	34.0
109.02875	7.7
109.06519	4.2
109.10166	7.1
110.07163	5.4
110.32827	1.3
116.07083	2.5
117.07023	1.6
119.04967	4.0
119.08569	14.5
120.08124	5.6
121.06499	8.4
121.10128	11.1
123.08090	7.3
123.11765	1.5
124.23875	1.3
127.03909	10.6
129.06918	1.3
129.10257	10.2
131.08562	5.4
133.10133	5.2
135.04376	1.7
135.08057	3.2
135.11671	1.7
136.07581	4.0
137.05998	2.5
137.09618	20.6
143.08565	1.8
143.11783	3.1
144.06584	1.8
145.02863	1.6
145.04968	3.4
145.10083	5.0
147.04408	13.4
147.08049	3.9
147.11687	19.4
148.04715	3.8
149.04973	3.3
149.09602	18.6
149.13220	4.9
150.05507	1.6
151.07503	1.9
155.11823	1.5
156.09404	2.1
159.02901	2.5
159.11688	7.7
159.91454	1.2
161.09692	1.9
161.13243	14.8
162.07607	2.8
163.03929	5.5
163.11198	1.6
165.12718	3.2
167.10664	33.6
171.11652	7.2
177.05545	2.7
177.12744	23.3
185.16489	3.3
189.12730	33.9
190.13037	2.7
195.13869	3.0
199.18060	11.9
207.13799	52.9
208.14131	2.6
213.12376	2.5
213.15964	2.0
225.14841	44.5
226.15170	1.9
227.17546	11.3
247.12880	11.4
261.14389	3.8
473.14291	2.7
490.28329	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	470.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.7
56.05031	3.7
57.07060	1.1
62.18930	0.9
66.67165	0.8
70.06552	1.0
70.68310	1.7
70.68642	1.6
71.08636	4.0
81.07053	1.2
82.06577	2.9
83.04969	6.7
83.06103	8.3
84.04501	100.0
84.08144	1.0
85.02905	6.2
86.06062	2.3
95.08603	1.5
96.08109	1.9
98.09698	4.1
99.08096	2.1
100.07610	21.9
101.06021	4.1
101.07098	4.1
102.05526	1.0
108.08093	0.9
108.18344	1.0
110.06067	2.1
111.04440	23.2
116.10723	11.4
120.08096	2.0
122.09653	1.2
128.07071	52.2
129.05515	2.3
129.06586	13.7
129.07495	1.2
130.05002	13.5
138.09171	1.1
146.08112	28.4
147.06535	1.4
148.07603	5.0
150.09138	1.3
151.95370	0.8
154.08653	0.9
154.15900	3.0
155.07010	2.5
166.08656	1.9
166.15906	1.7
168.17413	1.1
176.07080	2.7
178.08621	3.2
178.15912	1.0
193.09717	1.7
194.08118	10.2
194.89005	0.8
195.11205	1.8
196.16957	6.6
211.10771	10.5
212.09137	2.2
214.18011	83.8
215.18408	1.5
221.09201	2.5
222.07623	2.9
223.10573	0.8
226.14542	1.2
229.11874	2.2
239.10255	79.1
240.08665	4.5
240.10764	1.5
257.11325	9.7
324.21735	0.9
333.07877	3.1
335.09348	1.3
372.21503	1.2
470.28445	5.7
471.15863	1.0
471.21780	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	471.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86174	1.8
54.24390	1.2
55.05497	1.5
56.96561	13.1
57.02294	1.1
57.03434	3.5
67.05490	4.7
69.07055	1.7
71.95255	2.5
72.96053	1.2
79.05502	3.8
81.07043	3.5
91.05463	2.8
93.07034	3.8
95.08604	3.1
98.21642	2.4
98.98475	5.3
102.92615	2.7
105.07032	2.1
107.08596	2.3
109.10139	1.9
109.45519	1.3
118.92085	1.7
119.08541	1.8
119.25230	1.3
121.10153	2.4
128.98587	2.1
131.08583	1.3
133.10098	2.5
136.93121	11.1
136.94044	6.6
136.99983	6.2
137.02699	1.5
146.99622	2.2
147.11636	1.8
154.94162	34.6
155.01015	7.1
157.10031	1.3
159.11630	1.2
169.05434	1.2
172.95233	79.2
177.95827	2.1
190.96271	51.8
195.96841	11.6
198.96777	1.4
210.96765	12.0
211.03699	2.6
213.97913	5.3
216.97850	1.6
228.97833	27.2
233.98396	2.8
246.98979	3.7
251.99580	4.1
279.12619	1.9
317.17868	48.9
317.21423	2.7
335.18890	22.7
335.25858	4.0
356.36035	1.3
358.20514	8.9
397.14612	3.7
411.16013	1.6
453.17154	42.2
471.18271	100.0
471.24435	5.8
472.18460	2.7
494.19846	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	471.182
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
55.05491	1.5
56.96566	13.4
57.03421	4.1
67.05498	4.7
69.87572	8.7
70.06609	1.7
70.44444	1.7
70.98540	1.4
71.95230	1.7
79.05493	2.2
79.34666	1.3
81.07039	6.3
81.38999	1.5
81.39468	1.5
81.61117	1.3
81.64086	1.7
84.96020	1.8
91.05473	4.8
93.07030	6.3
95.08593	4.2
97.94769	1.5
98.98475	7.5
102.92628	3.0
105.06989	4.0
107.08599	4.1
110.97573	2.0
119.01739	1.4
121.10146	2.8
128.98621	1.8
133.10098	1.9
136.93126	11.0
136.94035	6.4
136.99976	5.5
145.10075	2.6
146.99683	2.1
154.94151	35.4
155.01039	6.2
161.13312	1.7
172.95229	94.2
175.14795	1.5
176.03709	1.8
177.95708	2.0
184.38220	1.5
190.96262	51.3
192.95665	1.7
195.96817	8.2
210.96727	11.2
211.03600	2.5
213.97931	6.0
228.97809	32.7
233.98357	2.2
246.98970	6.2
251.99509	4.3
267.12598	1.7
282.69400	1.6
315.16595	1.9
317.14175	3.2
317.17825	53.4
317.21432	2.8
333.17575	1.8
335.18903	25.8
335.25827	4.4
337.06305	1.7
358.20569	11.5
360.00253	2.0
397.14487	6.9
453.17139	43.8
454.17548	2.4
471.18280	100.0
471.24533	4.6
472.18799	3.5
494.19568	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	470.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.5
56.05024	2.8
57.07061	1.0
60.47873	0.7
67.05498	2.1
69.07093	0.9
70.06593	5.5
70.91463	1.9
71.07360	0.7
71.08615	3.1
72.08159	3.6
78.71496	0.8
79.05486	2.0
81.03409	0.9
81.05827	0.7
81.07043	2.0
82.06576	2.5
83.04986	6.1
83.06100	8.8
84.04501	80.2
84.08155	2.4
85.02908	6.4
86.06065	100.0
86.09697	2.6
87.06356	0.8
89.72733	1.0
91.05477	1.6
93.07042	2.1
95.04960	0.8
95.08589	3.8
96.08136	4.8
98.09700	10.7
100.07610	11.1
101.06018	2.1
101.07167	6.8
102.05546	2.5
107.08652	1.3
107.69296	0.8
108.08151	0.7
109.06567	0.9
110.06045	2.3
110.07166	1.6
111.04440	19.9
116.09908	1.6
116.10732	27.7
119.08597	2.0
120.08101	3.2
121.84068	0.7
122.06079	0.8
122.09650	1.1
123.08080	1.1
124.07610	1.9
127.07581	1.0
128.07076	38.9
129.05551	1.4
129.06583	8.4
130.05005	18.4
133.10150	0.8
134.09604	0.9
136.07645	0.8
137.05988	1.1
138.09172	0.7
141.09155	0.7
142.08612	11.5
142.12274	10.5
143.10666	8.9
146.08131	11.2
146.09377	0.9
146.09573	0.6
147.04424	1.0
147.07660	1.4
148.07567	5.9
148.11179	0.8
150.09184	1.2
154.08667	0.9
155.07053	2.0
158.11682	1.0
161.08299	0.7
164.10756	3.0
166.08662	2.1
176.07091	3.2
177.05511	0.8
178.08650	2.2
182.15376	3.8
184.13405	1.1
185.03934	0.7
190.12270	4.4
193.09731	1.1
194.08119	11.2
208.13287	8.0
211.10764	6.1
212.09154	1.3
214.18002	4.7
221.09213	2.0
222.07674	5.6
225.42416	0.8
226.14365	22.8
239.10258	20.9
240.08678	1.4
240.51369	0.8
243.17076	0.9
244.15523	1.3
257.11353	0.9
269.15005	1.8
270.13443	1.4
287.16071	4.7
306.20676	2.7
324.21710	4.0
326.20816	2.8
336.19257	2.6
354.15848	1.0
354.16730	0.5
354.20221	24.4
372.21289	64.0
373.21600	2.3
383.54776	0.8
452.27560	3.3
470.28583	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	469.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.0
55.01880	12.6
55.05507	20.3
57.03438	5.8
57.07064	6.0
61.02930	4.5
65.03958	2.6
67.05512	27.2
69.03429	21.7
69.07059	18.3
69.43188	19.9
69.43604	5.4
70.06569	6.3
71.04984	7.6
73.02928	4.8
79.05495	21.4
79.80327	2.8
81.03417	22.4
81.07060	55.2
83.04976	21.2
83.08616	9.8
84.04504	3.4
84.08138	5.0
85.02900	40.1
85.06531	5.9
86.09731	2.8
87.00833	16.7
91.05476	41.2
93.07043	100.0
94.83148	2.6
95.04983	20.1
95.08611	35.1
97.02905	16.6
97.06529	5.3
97.10175	4.3
99.04470	8.4
100.11273	4.9
103.03979	2.7
103.05492	3.0
105.01911	6.7
105.07029	45.8
107.04980	5.6
107.08595	47.4
109.02867	19.9
109.06544	12.9
109.10152	47.6
111.04459	6.6
111.08074	31.9
111.11744	3.1
115.03926	5.9
117.07034	9.8
119.08578	38.1
120.08141	3.2
121.06525	8.2
121.10139	28.3
123.08070	8.1
123.11752	12.9
125.09634	10.9
127.03915	22.1
129.01877	3.8
131.08562	14.3
133.06480	2.8
133.10106	21.7
135.08061	7.3
135.11685	19.7
137.09616	8.0
139.07635	3.2
143.08554	7.1
145.04939	8.5
145.10081	19.1
147.02901	4.1
147.08009	4.5
147.11684	41.1
149.05991	3.6
149.09569	7.5
149.13194	5.5
151.11218	5.9
153.09186	4.0
156.13829	3.7
157.10103	10.2
159.02908	10.1
159.11664	17.3
161.13232	12.1
163.11157	8.4
165.12779	2.8
167.08600	3.0
169.10117	4.6
171.11656	4.9
173.09621	4.9
173.13255	8.0
175.11226	4.4
175.14771	5.3
177.12738	5.7
183.11731	5.2
185.13277	6.9
189.04053	3.6
189.16261	6.3
197.13153	4.0
201.16403	5.9
203.17938	36.4
205.12213	3.3
210.14670	2.8
213.16438	3.1
215.18005	6.7
219.17487	7.9
221.19019	8.5
227.17960	4.9
231.04980	5.1
243.17447	4.0
245.18996	7.6
278.67142	3.1
311.20035	10.2
329.21124	7.6
344.81024	3.0
433.22192	7.1
451.23279	7.6
469.24121	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	469.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
54.34013	2.2
55.01860	7.0
55.05504	11.2
57.03162	3.7
57.03435	56.6
57.07060	2.4
65.03941	5.1
67.05140	3.1
67.05501	44.1
68.70015	2.1
69.07055	12.3
71.51694	3.4
79.05490	43.9
81.03400	3.2
81.07054	41.8
83.04978	3.6
83.08595	4.3
90.16164	1.8
91.05476	34.8
93.06487	3.9
93.07031	38.0
95.04949	6.9
95.08600	31.8
97.06515	2.4
98.98461	100.0
105.07028	31.0
107.08586	25.4
107.90100	2.0
109.10165	12.1
115.68569	2.2
116.99492	6.1
117.05424	2.6
117.07031	6.8
119.08555	20.8
121.10161	16.3
123.11697	5.8
128.06197	2.4
129.05484	5.2
129.06967	4.5
131.08563	13.8
132.09012	2.2
133.10121	18.5
133.16447	2.4
135.11696	17.5
136.99979	61.1
137.09618	2.1
140.01047	2.2
143.08566	5.0
145.10083	14.1
147.11690	11.8
149.13255	8.0
155.01035	72.4
157.10118	5.0
159.11684	8.6
161.13275	5.7
169.10114	2.6
171.11671	6.9
173.13220	6.6
175.14722	3.9
183.11639	3.7
185.13269	6.0
193.02632	9.1
199.14754	4.9
211.03673	52.4
211.07796	2.2
217.19608	5.2
231.20981	3.1
241.19458	18.6
259.20560	9.4
265.04712	5.0
297.22058	2.8
315.23242	3.2
333.24261	19.0
369.24054	4.8
374.66895	2.2
405.31351	2.1
451.21487	6.1
451.32382	2.5
469.23422	49.2
469.30356	3.2
469.33179	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	469.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05510	0.4
56.05034	1.5
58.99578	0.7
60.04518	0.7
61.01139	0.3
61.11740	0.2
63.28845	0.2
67.05479	0.3
67.80836	0.2
69.07058	0.4
70.02947	0.6
70.06587	7.0
70.07410	0.2
71.06927	0.2
71.29523	0.2
72.08153	3.9
72.23442	0.2
74.00655	0.7
74.06083	1.0
75.01443	0.2
76.02228	3.5
76.04003	1.7
79.05478	0.3
83.06097	2.8
84.04501	9.0
84.08139	4.7
85.04024	3.4
86.09702	4.2
86.99043	0.3
87.05586	0.3
88.03973	0.7
89.03951	0.2
91.05473	0.4
92.01685	0.8
93.07114	0.3
94.06579	0.4
95.04925	0.3
95.06105	0.2
97.01082	0.3
99.05571	1.0
101.10790	0.3
102.05537	0.5
103.05488	0.4
104.05341	0.4
106.06571	0.5
107.04971	0.3
107.06094	0.4
109.02890	0.3
109.07648	0.7
110.07166	2.3
112.03952	0.7
112.07597	0.4
112.08710	0.3
113.03493	1.1
115.08700	0.3
116.01694	1.0
116.07080	1.1
120.06589	0.2
120.08086	2.6
121.08451	0.2
121.87383	0.2
122.06016	1.4
123.01390	0.2
124.02180	0.3
129.06598	4.0
129.10242	3.0
130.03265	0.4
130.04994	4.8
130.06488	0.4
130.08640	0.9
131.04500	2.2
132.04453	0.9
133.05226	1.5
134.06007	17.4
136.07581	1.2
138.03709	1.8
141.04945	0.3
141.10204	0.4
142.03188	0.4
144.01070	0.4
145.06097	2.1
146.06035	0.5
148.02148	0.4
149.03746	0.3
149.04767	0.3
150.05495	0.8
152.07050	0.6
153.06508	1.3
155.08102	1.2
156.06563	0.4
157.09660	0.3
158.02649	0.3
160.00674	0.6
161.04749	1.8
162.02213	1.2
162.05498	57.5
163.04060	0.2
163.06264	5.3
164.07047	3.8
166.03221	11.8
167.03555	0.3
168.05206	0.3
169.06192	0.4
169.13503	0.3
170.02765	0.3
173.09221	0.5
175.10783	0.4
176.07196	0.3
177.03281	9.3
178.03276	0.6
179.04854	2.1
181.06065	0.7
183.14972	0.2
185.03818	2.0
185.09230	0.3
187.05196	1.1
188.04063	0.2
194.02705	100.0
195.03027	1.5
196.04247	3.3
199.07118	2.1
202.03151	1.9
203.10104	0.4
204.09090	0.3
205.02008	0.5
220.04260	7.7
225.09917	0.4
231.04326	5.2
233.05896	3.1
237.06940	3.1
244.86249	0.3
248.03769	0.9
265.06436	0.6
288.06464	0.8
303.07767	0.4
306.07593	0.5
308.09149	2.1
322.08456	0.4
331.07248	0.4
340.09613	7.9
394.10666	9.1
395.10950	0.5
430.38086	0.2
451.12909	0.4
469.13678	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	468.3083
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05506	0.8
56.05023	1.2
57.03418	0.7
57.07065	2.8
58.06600	1.2
60.08160	16.4
67.05491	1.3
69.07039	0.7
70.58276	1.5
71.07362	6.4
71.08632	2.5
73.07642	0.4
77.60114	0.4
81.07046	1.2
83.96214	0.4
85.10160	1.0
86.09702	47.7
87.10044	0.6
92.18143	0.4
95.08596	1.7
97.69679	0.4
98.21484	0.4
98.98457	4.1
104.10736	100.0
105.11095	0.5
109.10155	0.6
119.18269	0.4
124.99991	27.3
163.01488	0.7
166.02669	0.4
184.07329	97.3
185.07690	0.7
194.73013	0.4
224.97221	0.4
258.10992	1.4
273.12503	0.5
285.24155	2.3
294.95197	0.4
450.29761	9.4
468.30820	27.0
469.31009	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	469.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.05491	0.3
56.05014	0.7
60.04496	0.6
60.35603	0.2
69.03402	0.5
69.43008	2.2
70.06590	2.3
71.04990	0.2
72.08140	1.1
74.00653	0.3
76.02219	0.9
79.05483	0.3
80.65076	0.2
81.03422	0.4
83.06092	2.0
84.04050	0.4
84.04504	5.2
84.08139	2.1
85.02888	1.0
85.04015	0.8
86.09705	2.2
92.92698	0.2
94.06529	0.7
97.01122	0.4
97.02872	0.4
99.05551	0.5
104.05334	0.3
107.04897	0.3
107.06110	0.3
109.02892	0.4
109.07635	0.5
110.07165	2.0
113.03495	0.5
116.01641	0.3
120.08108	1.2
122.06015	1.7
123.01374	0.3
123.04504	0.3
127.03930	0.4
129.06604	3.6
129.10204	1.1
130.05017	2.1
131.04538	0.6
134.05000	0.4
134.06012	8.0
135.05516	0.3
135.07967	0.4
136.07550	0.9
138.03737	2.7
140.07047	0.6
141.10159	0.3
145.06020	0.4
150.05495	0.4
152.07054	0.5
153.06575	0.6
155.08165	0.6
162.05501	31.9
163.06303	2.7
164.07059	1.6
166.03223	15.7
166.04678	0.5
168.06546	0.3
174.03711	0.8
174.09119	0.6
176.07071	0.4
177.03276	2.1
177.05423	0.3
178.08629	3.3
179.04945	0.6
181.06125	0.3
182.08133	0.4
184.07603	0.3
185.03836	0.5
187.05295	0.4
188.06963	0.6
194.02708	100.0
195.03058	1.1
196.04216	1.8
198.09138	0.3
199.07150	0.9
200.10570	0.3
201.10262	0.6
202.03217	4.1
202.08582	1.3
203.03996	0.7
205.01903	1.6
205.09720	0.9
206.08107	0.6
219.03543	0.5
219.11349	1.2
220.04260	15.2
225.09979	0.5
226.08513	0.6
229.09726	1.0
230.08113	0.7
231.04347	1.3
231.62317	0.3
233.05911	1.9
237.06866	1.3
243.11177	0.2
244.09721	0.9
247.10782	3.1
248.03691	1.5
262.10562	0.3
265.06396	0.3
265.11847	3.9
270.09897	0.4
271.10669	0.4
272.09180	0.3
289.11810	3.6
303.08090	0.6
307.12881	32.3
308.09048	0.6
331.07352	0.5
335.18237	0.3
340.09601	9.0
349.14194	0.3
394.05481	0.5
394.10651	9.3
403.87769	0.3
412.44803	0.3
433.16064	1.0
451.17746	0.6
469.12903	0.4
469.18201	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	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.8
57.03431	1.7
57.06796	2.3
57.07073	36.9
59.04990	4.1
65.03942	2.3
67.05502	100.0
67.22120	1.8
69.07056	8.5
71.04981	1.9
71.08634	22.6
79.05499	2.6
81.06655	2.3
81.07069	27.4
83.08620	12.5
85.06538	3.2
85.10168	12.6
89.06019	2.2
91.05486	5.9
93.07056	3.6
95.08601	22.8
97.10164	5.9
98.20740	4.6
101.34171	1.8
109.10154	70.5
111.08048	2.3
119.08607	3.9
123.11720	4.9
137.09674	3.9
155.10701	3.6
173.11732	26.0
184.15048	2.0
185.86087	1.7
198.94316	1.7
239.23727	7.1
309.07709	1.6
376.56421	2.3
412.12088	1.8
467.37366	81.3
468.37582	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	468.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.5
55.05508	11.3
55.61905	4.5
56.05028	9.3
56.88365	5.2
57.03444	5.9
60.04527	8.2
62.47917	5.3
67.05499	8.1
69.03435	15.9
69.07066	19.2
70.06593	77.4
70.70438	7.8
70.70766	12.2
71.04988	9.7
72.08152	38.5
73.02918	9.1
74.19588	4.9
79.05502	14.0
81.03418	6.2
81.07065	31.3
83.04996	13.0
83.08644	7.3
84.04496	21.8
84.08139	54.2
85.02899	17.4
86.09706	82.3
87.04474	8.9
87.10063	5.9
88.04000	7.5
91.05486	16.7
93.07042	34.8
95.04991	10.2
95.08612	33.0
97.02869	11.3
97.06535	33.6
99.04446	13.5
100.11243	6.0
104.10755	5.4
105.07036	21.8
107.05019	6.1
107.08616	14.5
109.06532	20.5
109.10150	5.5
110.07169	21.6
111.08073	12.1
112.07581	5.9
113.07079	5.4
119.04938	6.8
119.08570	14.0
120.08131	37.6
121.06516	50.8
121.10081	5.2
123.04401	5.9
124.99969	6.2
125.06013	11.5
127.03873	6.5
127.07539	6.5
129.10263	30.3
130.06549	5.1
131.08539	6.2
133.10153	11.2
136.07610	18.3
137.05984	11.5
139.07564	12.4
139.11201	46.6
143.07115	5.8
147.11719	20.6
151.11195	6.3
157.10152	7.1
157.12265	18.1
159.09351	7.3
165.12730	9.3
169.12190	6.6
171.11734	15.5
175.11176	12.1
178.01024	5.7
181.10094	5.5
184.07367	24.9
187.11200	5.3
189.12798	12.9
193.12227	28.0
199.11237	9.8
211.13327	35.2
217.12280	44.1
229.14317	8.4
235.13329	67.9
253.14395	100.0
271.15482	35.8
273.04034	6.2
289.16556	18.3
440.33762	6.9
469.13724	8.3
469.25595	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	465.138
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
53.03931	0.6
55.01855	0.6
55.05506	0.7
57.03424	0.6
67.05470	0.9
68.99786	0.6
69.03419	1.7
69.07061	0.6
69.28390	4.8
70.06575	2.1
72.08137	0.5
73.02919	0.7
79.05468	0.5
81.03415	0.8
81.07017	0.8
83.08633	0.5
84.04501	1.0
84.08128	1.3
85.02899	3.5
86.09701	1.9
91.05449	1.3
93.07039	1.4
95.04953	1.0
97.02891	1.3
105.03370	0.5
105.07019	0.8
107.04957	0.6
107.08581	1.6
109.10189	0.5
117.03346	0.5
120.08096	2.0
126.80556	0.5
127.03914	1.5
129.10237	0.9
135.04393	1.3
135.11639	1.0
136.07579	0.8
137.06012	0.8
139.03824	0.7
145.02841	0.9
148.70166	0.5
151.07469	0.5
151.20667	0.5
152.01009	0.6
163.03891	6.5
165.01782	0.5
167.03391	45.0
168.03746	0.5
170.02098	1.2
176.80157	0.5
182.15364	0.6
185.04382	0.7
201.05331	1.9
210.14854	0.9
216.05629	0.3
216.07558	11.8
217.08354	12.1
227.05112	2.8
238.06749	0.6
256.07928	0.8
267.07202	0.5
269.07965	0.9
270.08392	0.6
271.04346	3.3
280.08163	0.5
285.07596	0.6
295.10120	1.4
301.10852	2.5
302.11081	3.5
303.05222	2.0
303.08585	33.8
304.08954	1.3
330.10367	0.9
379.13596	5.8
403.13721	0.9
421.14679	42.4
422.15082	1.7
465.13657	100.0
466.13919	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	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.05048	0.9
60.04519	1.0
67.05510	0.4
69.03407	0.4
69.07056	0.7
70.06592	7.1
70.84788	0.6
70.85120	0.7
72.08157	6.7
74.02461	0.4
74.06088	0.5
79.05495	0.4
79.84776	0.3
81.03426	0.6
82.82928	0.3
84.04495	1.5
84.08142	4.4
85.02911	0.9
86.06104	0.4
86.09705	60.6
87.10017	0.4
88.03989	1.4
91.05463	1.9
93.07067	0.9
95.04958	0.5
98.05988	0.3
101.07146	0.5
101.92805	0.3
103.05452	2.6
104.82462	0.3
110.07151	1.8
112.08700	0.4
115.08701	0.4
116.03458	0.9
119.04932	0.9
120.08100	100.0
121.06616	0.4
121.08441	1.5
122.09657	0.5
126.44333	0.4
129.10246	2.1
134.04482	5.5
134.06015	0.3
136.07584	1.8
137.02301	0.4
137.06024	0.4
141.06636	0.4
141.10207	0.3
147.04408	0.3
148.07478	0.5
151.07544	2.3
152.07072	0.5
153.01808	0.7
162.05585	0.5
164.07063	2.1
165.01817	0.5
166.08620	0.6
167.03418	1.4
168.10228	1.9
171.14935	0.5
174.25485	0.3
177.05402	0.8
187.07297	0.4
191.11813	4.5
194.08102	3.5
199.14409	0.4
201.05481	0.4
205.08199	11.5
219.11298	4.6
229.05002	0.5
233.16484	35.9
234.16757	0.7
242.90318	0.4
244.09476	0.5
261.15988	24.8
262.16315	0.4
267.13394	0.5
303.04956	9.1
303.13348	0.4
304.05319	0.6
315.12952	0.4
332.19647	3.0
344.88580	0.4
352.15045	2.7
383.42966	0.3
447.18002	0.4
465.18259	0.6
465.24200	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	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20277	0.4
53.03936	0.8
55.01871	2.0
55.05515	0.8
57.03437	3.4
57.07071	1.6
59.04990	0.6
61.02917	2.6
64.61381	0.4
65.03922	0.4
67.05506	3.3
69.03429	7.0
69.03786	0.8
69.07071	3.4
69.78867	0.9
69.79290	1.5
71.01382	0.7
73.02916	12.0
79.05492	7.5
81.03423	1.2
81.07055	100.0
82.07394	0.8
85.02903	15.4
86.09705	0.8
87.04488	0.7
91.03957	0.5
93.07052	1.4
95.08604	15.1
97.02892	11.1
97.03514	0.6
98.21499	0.6
99.04489	0.6
103.03931	1.1
105.07089	0.4
109.02885	1.5
109.10168	0.8
113.87268	0.4
115.03921	4.8
121.64328	0.4
127.03912	6.4
133.04965	11.0
137.05992	0.7
137.13254	23.7
138.13617	0.5
145.04953	9.8
154.15941	0.5
163.05998	5.1
177.05550	0.5
184.07422	0.4
193.04959	0.5
223.06071	1.8
241.07016	2.2
241.09152	0.4
257.93152	0.4
259.08102	3.5
265.20190	0.4
269.08218	0.4
269.17679	0.5
277.09476	0.7
286.08200	0.4
295.10291	1.5
301.10712	1.9
420.17746	0.4
466.19089	0.7
493.84354	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01865	1.6
55.05498	1.3
57.03436	4.4
57.07068	2.6
61.02926	3.3
67.05500	4.9
69.03430	8.6
69.07068	4.1
69.33076	3.2
71.01366	0.8
71.04982	1.0
73.02914	17.2
79.05492	8.9
81.03428	1.4
81.07051	100.0
82.07395	1.4
82.43319	0.3
83.08653	0.4
85.02900	22.9
87.04473	1.3
91.03955	0.8
91.05491	0.8
93.07045	1.3
95.04932	0.4
95.08605	20.6
96.08930	0.4
97.02887	15.5
99.04456	1.6
103.03967	1.0
105.07059	0.6
107.04942	0.7
107.08577	0.8
109.02842	1.5
109.10153	1.6
115.03928	7.8
121.06474	0.4
123.11704	0.4
127.03903	8.5
132.06616	0.3
133.04955	12.2
133.06430	0.5
136.07608	0.4
137.13251	21.4
145.04956	11.4
149.13257	0.3
150.07602	0.9
157.04942	0.4
159.11722	0.3
159.46690	0.3
163.03958	0.4
163.06007	6.1
181.06557	0.3
193.03217	1.0
193.04942	0.6
198.06671	0.3
199.06044	0.4
201.16493	0.4
211.06003	0.6
217.07040	0.9
223.05995	1.9
226.06348	0.3
233.08459	0.3
241.06898	2.1
259.08170	4.2
269.08206	0.8
269.17490	1.3
277.09271	1.0
295.10168	2.0
295.94357	0.3
301.10712	2.5
329.10376	0.6
397.45532	0.3
466.18991	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	466.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20425	0.4
57.07078	8.1
58.06593	1.6
65.03931	2.2
70.06592	17.3
70.51994	1.3
71.08627	3.3
85.10164	0.9
86.09698	0.5
88.07629	20.7
90.06917	0.4
102.09180	15.6
121.02868	1.1
139.03873	1.9
149.02342	58.5
150.02655	1.0
184.07350	0.8
193.04959	59.8
194.05307	0.6
212.23753	0.8
217.78929	0.5
237.07567	69.7
238.07951	1.7
238.81726	0.4
256.26352	52.6
257.26663	1.2
300.28897	2.2
319.60379	0.5
466.31644	100.0
467.32086	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	467.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49609	1.4
71.49910	3.3
77.11752	1.6
111.54559	1.6
226.09853	1.7
234.99928	9.9
253.00905	3.3
259.00031	23.3
264.98740	2.2
277.01102	28.6
278.01184	3.4
279.01398	1.7
282.99982	47.7
283.99863	1.9
301.01044	100.0
302.01270	8.1
303.00851	1.8
319.02164	10.2
324.02505	5.3
401.01282	3.9
407.00052	3.4
425.01065	20.4
440.59802	1.8
443.02216	82.4
444.02319	5.5
466.03937	7.9
467.03635	1.7
467.10397	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	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.01941	0.2
53.03929	0.8
55.01858	0.8
57.03433	2.0
59.05008	0.2
61.02654	0.2
61.02925	2.3
65.03909	0.4
67.05494	0.3
68.99780	1.0
69.03427	7.5
70.06587	2.6
70.71570	0.6
71.01340	0.3
71.04975	0.8
72.08131	0.5
73.02911	1.4
81.03421	2.9
81.07059	0.5
82.63822	0.2
84.04482	0.4
84.08128	1.0
85.02901	18.7
86.09695	1.7
87.04468	1.5
91.03965	1.0
91.05446	0.3
93.03397	0.5
95.04916	0.4
97.02885	5.2
99.04431	1.3
101.02362	0.5
103.03931	0.9
104.47760	0.2
107.04891	0.2
109.02863	2.4
111.00803	0.9
115.05454	0.3
118.06886	0.3
120.08086	0.9
121.02859	1.6
123.04409	0.4
127.03912	4.3
133.10074	0.3
135.04459	0.4
137.02342	4.1
137.03380	0.2
145.04947	2.5
145.06090	0.3
145.06491	0.2
149.02321	0.7
153.01826	6.3
155.04938	0.2
159.09239	0.2
159.11557	0.2
161.05916	0.3
163.03896	0.7
165.01848	3.1
166.02551	0.2
170.55342	0.2
173.05988	0.7
175.04053	0.2
183.02914	1.0
183.04352	0.3
187.03891	0.2
195.02892	0.3
201.05478	2.2
205.04935	0.4
213.05275	0.3
217.05048	0.2
219.02783	0.2
219.06474	0.5
228.04124	0.4
229.04959	6.0
233.04501	0.2
245.04518	0.4
247.06036	0.8
257.04407	3.7
274.04785	1.3
275.05484	0.4
285.03976	2.1
286.04477	0.3
299.90781	0.2
301.03601	0.3
302.04236	1.6
303.04977	100.0
304.05319	1.9
327.04990	0.9
336.11154	0.4
345.06039	1.9
369.05765	0.2
447.09161	0.3
465.10315	1.7
465.19839	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	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.09888	0.2
55.01875	0.4
55.05494	0.3
56.05009	0.4
57.03421	0.2
65.03933	0.3
68.99780	1.2
69.03419	0.7
69.07045	0.2
70.06597	2.0
70.13496	0.2
70.80383	0.4
70.80749	0.4
72.08155	1.3
73.02878	0.2
76.02213	0.2
81.03406	0.8
81.07039	0.4
81.57487	0.2
84.04483	0.5
84.08137	0.9
85.02906	1.2
86.09697	2.4
91.05483	0.5
93.03387	0.4
95.04963	0.6
95.08583	0.2
97.02871	0.4
101.07036	0.2
102.40379	0.2
105.07050	0.2
107.04963	0.4
109.02877	0.8
109.06539	0.2
110.07169	0.4
111.00819	1.2
114.45615	0.2
117.07006	0.2
119.04923	0.2
120.08115	2.0
121.02872	1.3
121.06483	0.4
123.04425	0.3
124.01577	0.3
127.03914	0.6
129.10226	0.5
135.04382	0.2
136.07570	0.5
137.02336	3.9
137.05946	0.3
145.04860	0.3
149.02347	0.4
151.03845	0.2
152.01028	0.5
152.07079	0.3
153.01826	4.9
155.04890	0.4
161.05959	0.5
163.03917	0.7
164.06963	0.2
165.01833	2.3
166.02579	0.5
166.08525	0.2
167.03395	35.2
170.02040	0.6
173.05933	0.5
177.05479	0.4
179.03497	0.3
183.02882	0.9
183.04337	0.4
187.03955	0.3
187.10959	0.2
191.03319	0.4
191.07167	0.2
192.06039	0.2
193.49321	0.2
195.02817	0.3
201.05499	2.2
205.05029	0.3
205.68820	0.2
212.09193	0.2
213.05505	0.4
219.02934	0.2
219.06392	0.3
228.04131	0.4
229.04950	4.7
241.13414	0.3
247.06038	0.7
257.04462	3.5
261.07645	0.3
274.04749	1.0
275.05496	0.4
285.04004	1.1
285.07172	0.2
301.10583	0.4
302.11087	0.5
303.04984	100.0
304.05295	2.1
325.14450	0.2
465.10175	2.0
465.16690	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	464.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.06587	0.9
53.39927	0.8
54.02653	0.8
55.01854	1.9
55.05508	13.1
55.55229	0.8
57.03447	1.1
58.47980	0.8
65.03928	1.2
67.05496	11.1
69.03425	2.0
69.07067	4.4
70.06573	2.6
71.04982	1.7
71.08615	5.5
71.57895	0.7
71.58352	1.0
72.08143	4.2
79.05491	8.9
80.05838	0.9
81.03410	6.7
81.07048	13.3
83.04971	4.0
83.08611	10.6
84.04459	1.0
84.08125	1.6
85.02885	2.4
85.06521	1.5
86.09676	2.0
91.05478	15.4
91.50457	0.7
93.07042	9.6
95.04962	40.5
95.08588	9.4
97.06511	1.5
97.10150	4.7
98.10570	0.8
99.08079	3.8
105.07020	7.1
107.04971	5.7
107.08598	9.3
109.06503	3.6
109.10146	3.0
111.08076	3.4
117.06990	3.4
119.04933	4.0
119.08569	5.9
121.06500	3.2
121.10126	5.9
123.04393	1.2
123.08057	3.2
123.11699	0.9
125.09619	3.0
129.07016	1.8
129.10184	0.8
131.08533	4.9
133.06450	1.7
133.10147	2.8
135.04407	1.6
135.08032	2.7
135.11685	2.2
136.07614	1.3
137.05969	28.0
137.09608	1.9
138.06331	1.4
139.11171	1.7
139.33354	0.9
141.09074	1.1
143.08487	1.3
145.10121	4.6
146.10683	0.8
147.04395	3.7
147.08029	1.7
147.11658	2.9
149.05997	1.8
149.09604	9.3
149.13100	0.9
151.11185	2.1
152.07011	2.0
157.06540	0.8
157.10164	2.0
159.11685	2.8
161.06001	3.7
161.09612	2.4
161.13364	0.9
162.15851	0.9
163.07596	1.1
163.11159	12.5
165.12758	2.3
169.10126	0.8
173.05948	1.1
175.07578	1.4
175.11186	2.2
177.12744	2.1
184.51453	1.0
187.07481	2.3
187.11130	1.1
189.09248	1.2
189.11107	1.3
193.12250	3.1
205.12216	3.7
211.13321	5.6
223.13297	17.0
247.20576	1.0
257.19177	2.1
275.19983	10.8
284.27069	2.2
285.14749	1.8
293.21088	100.0
294.21472	3.1
301.10947	1.5
303.04910	1.1
303.15918	5.1
313.17844	1.4
329.17484	0.9
340.36380	0.9
346.19754	2.0
361.87106	0.9
411.25092	4.3
429.26474	7.4
446.28864	1.5
447.27448	7.6
448.27985	1.0
464.30048	37.3
465.30276	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	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.17243	0.2
53.03939	0.4
55.01867	0.4
55.05504	0.2
56.12723	0.2
57.03427	0.3
59.22607	0.3
61.02906	0.8
68.88856	0.2
68.99791	0.5
69.03432	1.3
70.06579	1.1
70.30178	0.9
72.08158	0.4
73.02878	0.3
81.03413	0.9
84.04465	0.3
84.08162	0.3
85.02904	3.8
86.09709	1.9
89.45309	0.2
91.03925	0.3
95.04975	0.2
97.02901	1.6
103.65436	0.3
109.02885	0.8
111.00801	1.0
120.08131	1.2
121.02847	1.0
123.04387	0.3
125.20194	0.2
127.03906	0.7
129.10220	0.3
131.04851	0.2
132.69460	0.2
135.04376	0.4
136.07555	0.7
137.02351	3.7
143.11760	0.4
145.02856	0.3
145.04941	0.8
145.06429	0.3
149.02325	0.6
150.86525	0.2
153.01833	4.5
155.04881	0.3
159.22856	0.2
161.05916	0.5
163.03888	0.7
165.01868	2.0
173.06023	0.5
177.05438	0.4
183.02879	1.1
183.04372	0.5
187.03909	0.5
195.02948	0.4
201.05441	2.0
205.05159	0.2
215.03204	0.2
219.06499	0.3
229.04938	5.1
233.96921	0.3
247.06047	1.0
257.04382	3.2
274.04761	0.8
277.11957	0.3
285.03864	1.2
303.04984	100.0
304.05295	2.2
465.10175	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	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01863	2.3
55.05503	3.6
57.03437	4.5
60.71263	1.0
61.02915	3.9
67.05500	2.4
68.22362	1.1
69.03431	9.4
69.07059	3.4
69.45018	10.3
70.02964	1.0
70.06591	8.5
70.48666	1.0
72.08150	3.3
72.56926	1.0
73.02918	29.8
78.17233	1.0
79.05492	11.6
81.03422	5.5
81.07066	3.8
84.04516	1.8
84.08145	3.5
85.02911	17.2
86.09709	8.6
89.14811	1.1
91.05475	14.2
91.98373	1.2
93.07041	77.6
94.07365	1.7
95.04958	5.3
95.08611	2.8
97.02888	11.0
98.20792	2.4
99.04452	2.5
105.04510	1.6
105.07037	3.8
107.04956	2.8
107.08591	41.8
109.02861	2.6
109.10160	2.5
110.07169	1.4
111.04449	1.6
115.03933	7.8
119.08612	1.7
120.08112	4.3
121.10122	3.6
127.03920	8.6
129.10226	2.6
131.04939	1.5
133.04955	6.1
133.10135	2.5
135.11688	100.0
136.07570	2.0
136.12039	2.3
137.05980	3.6
145.04933	7.5
150.07578	1.5
153.07018	1.3
153.12740	3.5
159.09149	1.4
163.06029	2.3
164.07100	1.1
167.03384	4.3
167.07072	3.3
177.05351	1.2
177.07797	1.5
178.08411	1.4
181.06514	2.2
181.12276	2.2
201.05103	1.2
216.07524	5.6
217.08464	5.5
219.13815	4.4
226.06258	1.5
231.13855	1.8
241.06905	1.3
249.14993	2.3
259.08081	2.6
267.15918	8.1
269.08102	4.3
270.08514	1.1
275.44113	1.1
277.09061	1.3
290.42252	1.1
294.81702	1.0
295.10257	1.6
297.16931	2.5
301.10696	23.8
302.11053	1.8
303.05331	2.1
303.08673	3.0
329.10291	5.7
379.13416	2.7
421.14676	22.4
464.17496	3.6
465.13657	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	464.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
55.05508	9.1
55.29826	2.3
58.08993	2.2
60.80466	2.4
66.69436	2.2
66.83196	2.3
67.05500	11.0
69.07059	5.5
70.06595	12.1
71.51481	3.4
79.05488	11.9
81.03428	2.9
81.07066	15.5
83.04939	2.4
83.08592	4.0
84.04512	3.7
84.08154	3.6
86.09675	5.9
91.05459	11.7
93.07039	6.1
95.04955	6.4
95.08598	7.4
105.07026	7.2
107.04960	5.7
107.08569	5.0
109.10146	4.6
110.07159	4.1
117.07025	4.8
118.84046	2.4
119.04958	2.7
119.08558	2.7
121.06521	8.7
121.10106	3.1
123.04390	3.3
127.03962	2.7
129.07002	3.9
129.10211	3.1
131.04941	4.1
131.08592	6.3
133.06525	3.8
135.04399	4.0
135.11714	3.3
137.05977	10.1
141.06984	8.0
145.10103	3.0
147.04500	3.2
149.05952	18.4
151.07516	5.0
151.11165	3.1
155.08569	4.6
159.08032	10.0
161.06018	8.5
163.07579	6.7
167.06981	3.5
169.06448	3.2
171.07985	2.8
173.05966	7.4
175.07512	20.2
180.23442	2.6
183.08073	4.4
185.06160	2.9
187.07524	100.0
189.09088	10.2
190.08646	2.5
199.07587	4.7
199.11034	2.4
201.09135	7.3
204.10165	23.6
211.07518	3.5
213.09103	3.7
219.13890	10.0
229.12280	3.8
231.13815	4.3
241.12332	6.0
243.13794	37.0
245.15314	3.8
260.16409	3.5
269.18665	2.7
301.07303	2.7
301.10535	12.5
303.05164	4.7
305.36856	2.6
315.15909	6.4
383.25812	14.4
393.24121	4.7
401.26840	4.7
411.25214	40.2
428.27817	9.6
429.26419	19.8
446.29062	35.5
464.17462	7.1
464.30194	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05507	10.6
57.07072	35.3
67.05482	4.5
69.07072	24.4
70.19050	17.7
71.08625	22.0
79.05492	6.7
81.07050	17.9
83.08614	13.5
85.10187	10.5
93.07016	6.2
95.08604	14.4
97.06525	4.3
97.10159	9.3
97.16574	3.8
105.07021	4.1
107.08628	6.4
109.06542	10.1
109.10138	6.1
111.08040	3.4
123.08069	13.4
123.11682	3.5
125.05994	13.4
127.07545	42.6
136.96025	3.5
139.07532	100.0
145.80077	3.0
149.05984	6.5
151.07547	9.1
157.10368	3.5
165.09119	5.5
167.06969	7.3
177.09138	15.0
191.57240	3.7
197.72968	3.2
225.53630	3.4
301.28815	5.5
305.07089	3.3
319.29929	12.7
347.33197	16.5
373.30966	3.8
417.37341	17.4
445.36716	47.1
463.37744	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	464.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04563	0.6
55.05486	1.0
56.05034	37.9
57.03441	0.8
60.04519	5.1
61.00849	1.3
61.01148	22.2
63.88343	0.7
69.03409	1.5
69.07071	8.4
70.02949	2.3
70.06592	16.0
71.06918	1.3
71.20641	1.3
71.47131	0.7
72.08154	14.6
74.02443	3.2
74.06080	4.1
82.06593	1.2
84.04507	5.2
84.08134	10.4
85.02905	2.7
86.06065	1.4
86.09703	84.4
87.05589	23.0
87.10025	0.9
88.03986	2.7
89.57655	0.6
91.05464	1.3
92.02793	0.8
97.02868	0.9
98.06042	2.7
102.05518	1.8
104.05325	100.0
105.05737	0.9
110.07162	3.0
111.04403	0.7
113.07124	3.8
116.03465	2.5
116.07086	1.5
120.03844	0.7
120.08092	5.9
126.05537	1.4
128.10732	0.7
129.10229	7.9
129.73650	0.9
130.05003	1.6
130.06499	0.8
132.08110	0.9
133.06084	66.4
136.07544	1.3
138.05373	0.6
141.01872	1.3
141.06561	0.8
143.08153	35.3
145.04950	1.3
146.06201	0.8
147.07663	0.9
150.05809	1.0
151.03860	1.0
152.07071	1.4
153.06557	1.3
155.11833	2.1
157.06129	0.8
157.09738	1.6
159.07664	1.4
159.09140	1.0
162.05473	0.8
163.03908	1.9
164.07066	2.0
171.11343	0.8
171.14969	1.3
173.12865	8.5
183.11279	4.7
189.06938	1.4
191.08490	14.8
199.07130	2.1
201.06961	1.0
201.12328	12.9
201.14001	1.2
213.12360	0.8
214.12660	1.1
216.09886	0.9
219.07976	13.6
226.15594	0.8
246.09349	1.0
247.07434	5.2
253.74242	0.7
258.14682	1.0
264.10114	44.6
286.16040	0.7
287.14337	1.9
299.10355	0.8
302.13907	1.6
303.05038	2.1
314.15329	13.2
315.16534	1.2
316.09875	0.9
332.16504	1.3
334.10638	1.2
351.13324	11.5
361.11734	1.0
446.20920	1.7
447.19308	1.9
464.21606	3.6
464.28073	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	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99097	0.9
53.38047	1.0
55.05499	3.3
57.07073	3.0
67.05500	4.6
69.07066	5.6
70.97035	2.6
70.99756	1.2
71.08624	1.8
73.49348	1.1
79.05490	4.2
81.07054	6.8
81.74345	1.2
83.04978	1.2
83.08600	2.8
85.06541	1.9
91.05455	2.0
93.07025	3.6
95.08593	5.7
97.06521	1.5
97.10116	1.3
105.07014	3.9
107.08606	4.9
109.06516	14.2
109.10144	3.0
111.08112	2.4
113.02354	1.3
113.33935	1.1
117.73159	1.0
119.08571	3.2
121.10176	4.3
123.08070	61.1
123.11679	1.4
125.09525	1.2
131.08607	1.4
133.10165	3.6
135.08115	1.3
135.11667	2.2
137.09633	3.5
145.10098	1.5
145.98184	1.5
147.11665	1.0
149.13205	1.7
152.02335	1.3
161.13242	1.3
163.11191	1.1
164.07018	1.6
165.12772	4.8
178.39633	1.1
179.14308	100.0
180.15065	6.8
193.15910	2.5
196.82867	1.2
233.15204	1.1
275.20239	2.5
286.04666	1.7
293.21121	37.5
293.24341	2.4
301.07138	3.1
331.26212	1.4
345.19940	1.3
349.27371	85.2
350.28149	21.8
351.28882	13.9
351.32880	1.6
445.29553	3.5
463.30591	39.2
464.31326	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	463.3049
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03937	5.2
55.01865	2.8
55.05505	20.0
57.03440	5.9
57.07068	2.4
58.22322	0.9
65.03938	3.5
67.05502	67.9
69.03400	1.8
69.07064	26.1
69.94196	3.9
70.06568	2.2
70.82272	0.9
71.04982	5.3
79.05489	46.7
81.03410	5.5
81.07051	100.0
82.07385	0.9
83.04990	7.6
83.08618	22.6
85.02886	1.0
85.06541	6.1
86.09693	1.7
91.04907	2.1
91.05476	35.8
93.07039	57.1
95.04958	12.3
95.07991	1.5
95.08605	28.1
97.06518	9.0
97.10154	2.5
99.08070	1.8
103.05445	1.4
105.07027	20.5
107.04953	3.3
107.08584	37.1
109.06531	5.1
109.10167	6.9
111.08056	5.5
113.06025	2.9
115.05420	1.4
117.07011	13.7
119.08572	9.6
121.06490	4.8
121.10128	16.2
123.08082	2.4
123.11707	8.5
125.09629	2.2
128.06197	0.9
129.07010	4.6
131.08553	19.7
133.06488	1.5
133.10126	19.6
135.08073	3.8
135.11693	12.0
137.05991	2.1
137.09543	1.1
139.11182	1.1
141.06953	1.7
143.08554	4.6
145.06456	1.6
145.10104	6.2
147.08072	2.4
147.11713	3.4
147.52039	1.0
149.09645	2.2
149.13249	23.7
149.14388	1.4
151.11223	3.1
152.07089	1.5
153.07217	1.1
154.07887	0.9
155.08603	3.0
157.10156	4.1
159.11685	13.0
161.09697	1.6
163.11151	1.3
167.14340	2.2
169.10175	1.4
171.11731	2.6
173.05934	1.0
173.13284	2.5
177.12689	5.7
181.10153	1.7
187.07541	2.4
187.11261	1.1
187.14749	1.8
195.11958	1.3
195.13802	12.3
197.13240	1.3
197.22833	1.3
199.14886	1.5
201.12616	1.4
209.13274	1.1
211.14908	1.5
213.14847	2.4
215.14200	1.5
215.35631	1.0
219.14015	1.4
264.80716	1.2
273.18518	1.2
291.19583	2.4
301.10736	1.5
335.23322	1.6
343.26263	1.6
353.24649	5.1
371.25699	6.0
389.27032	5.5
403.50116	1.2
445.29614	11.8
446.29538	1.2
463.30579	63.6
464.30472	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	463.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05025	0.8
60.04512	0.4
63.02383	0.5
69.03435	0.9
69.07056	0.5
69.64528	0.3
70.02951	0.4
70.06590	4.5
71.04972	0.5
71.51425	0.5
72.08149	1.6
74.06079	0.4
78.04716	0.6
78.44593	0.3
79.05496	1.0
81.03419	0.8
81.07103	0.4
84.04499	1.3
84.08138	1.5
85.02905	0.8
86.09706	5.6
87.10049	0.8
88.03989	0.6
89.03913	7.7
91.05482	1.3
92.05805	0.4
93.07055	1.4
95.04968	0.6
96.51033	0.3
97.02936	0.4
101.07108	0.3
102.05540	0.3
103.05481	1.0
104.05328	0.6
105.07042	0.4
106.04180	0.6
107.04974	0.4
107.08602	0.5
109.02898	0.4
109.06541	0.3
109.55551	0.3
110.07181	0.8
114.56494	0.3
115.08655	0.3
116.07089	0.7
117.03381	24.7
119.04966	0.9
120.08085	1.7
121.06466	0.5
121.10149	0.8
121.88287	0.3
124.03963	0.4
124.05217	0.4
125.00555	0.3
129.10254	1.3
130.05038	0.3
131.08565	0.4
132.10205	0.3
134.03603	1.6
135.04427	2.2
135.80827	0.3
136.07562	0.8
137.05998	1.1
145.02846	61.9
146.03168	1.3
147.04408	1.2
148.04826	0.6
149.05988	8.3
149.09627	0.8
150.05493	0.4
152.07016	0.5
154.08623	0.3
158.06070	0.5
162.03148	0.4
163.03871	0.5
165.07872	4.3
166.03230	6.1
175.02103	0.7
175.07549	1.3
177.05470	100.0
178.05827	1.8
181.03210	1.1
182.04477	0.6
186.05428	1.6
192.02573	0.6
192.06497	0.4
198.05840	1.4
198.11983	0.5
201.05511	1.1
203.06947	0.6
207.04799	3.0
209.06316	0.4
210.05734	0.5
218.08162	0.9
224.03703	0.5
226.05336	0.8
253.05240	0.9
270.07947	1.2
281.06097	0.3
287.10602	14.0
288.10925	0.4
301.12122	0.7
303.06693	0.6
332.09402	1.4
342.13242	1.5
357.07968	0.4
374.10471	0.9
383.09497	0.4
400.12042	3.5
428.11609	0.6
446.12720	0.8
463.09164	0.5
463.15396	9.1
463.21698	0.5
464.15945	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	463.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46703	1.0
53.57888	0.9
55.05506	2.0
55.58390	1.1
56.96556	2.5
67.05491	2.6
69.03425	1.6
69.07081	2.2
70.00117	3.9
70.00526	2.2
70.06593	6.6
71.04987	1.5
72.08143	3.7
72.74688	1.2
73.02912	3.5
75.50501	1.0
77.96250	1.1
79.05487	3.1
81.03418	2.3
81.07045	3.8
83.04970	1.2
83.08652	1.6
84.04519	2.3
84.08141	3.8
84.96014	1.6
85.02901	3.1
86.09707	7.8
91.05459	4.2
93.07047	7.5
95.05000	3.3
95.08619	2.2
97.02904	1.5
98.21444	1.7
98.97588	10.5
105.07061	2.8
107.04935	1.8
107.08605	3.6
110.07209	1.5
110.97649	1.6
114.32150	1.1
115.03911	1.3
116.98596	5.8
119.08605	1.6
120.08126	4.3
121.06504	2.0
121.10220	1.3
125.01605	1.1
127.03931	1.8
128.98633	5.4
129.06659	1.2
129.10234	2.5
131.04915	1.3
134.99651	2.5
135.08058	1.4
135.11710	6.1
136.07613	1.5
137.05986	3.9
145.10110	1.4
146.99625	3.2
158.99632	2.4
161.05994	1.5
167.07022	1.6
177.00720	2.7
177.07841	10.7
178.08191	5.4
189.00752	1.4
214.08708	2.5
219.01825	2.2
223.44370	1.2
237.02774	5.8
246.14946	2.6
247.15398	5.3
247.45660	1.2
250.07318	1.1
269.08243	1.9
301.10718	4.8
321.19006	2.7
331.14468	1.6
349.15347	11.3
463.19272	100.0
463.28226	7.1
464.19342	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	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99110	4.1
53.03940	8.2
55.01869	8.5
55.05509	40.6
57.03431	12.5
59.05036	5.6
61.72395	4.9
67.05504	87.0
69.07060	36.0
70.07731	9.1
70.08121	10.7
71.04987	7.8
79.05494	75.2
81.03409	6.4
81.07053	94.0
83.04980	9.3
83.08621	19.0
91.05479	98.2
93.07043	66.4
95.04951	11.6
95.08620	55.5
97.06519	5.6
97.10173	8.1
98.20937	7.2
103.05481	7.6
105.07027	100.0
107.04952	12.7
107.08591	37.9
109.06509	11.3
109.10155	18.5
111.08102	7.9
114.46724	4.9
115.05497	7.1
117.07027	54.6
119.08587	46.5
121.06526	12.2
121.10155	18.4
123.08030	12.0
123.11702	6.0
128.06204	6.8
129.06970	30.3
131.08571	74.6
133.06490	6.5
133.10127	36.0
134.52681	5.0
135.08128	6.6
135.11729	11.3
141.06996	13.4
141.63821	4.5
142.07588	5.2
143.08502	25.4
145.10179	36.4
147.08083	6.5
147.11647	10.2
149.09671	6.1
149.13405	5.3
155.08505	12.3
157.10127	19.8
157.62714	5.9
159.11734	24.9
161.09653	5.1
161.13274	5.2
163.11201	6.9
167.08577	11.5
169.10094	7.3
171.11726	17.2
173.13354	8.0
181.10013	6.0
183.11748	7.8
185.09534	5.8
185.13193	7.9
187.14781	9.2
195.11803	6.4
197.13220	13.0
211.14839	6.7
227.14383	7.6
233.15414	7.8
267.15738	5.3
287.65448	5.0
325.25223	9.9
343.26300	17.9
353.24863	44.0
368.55048	5.8
371.25818	67.9
389.26880	65.8
445.29401	74.5
463.30496	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	462.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01857	4.2
55.05510	11.4
60.28237	0.9
60.31362	1.0
65.03916	1.3
67.05503	12.4
69.03409	4.0
69.07064	11.0
69.39772	8.3
70.06577	1.2
71.04984	2.2
79.05483	21.5
81.03417	10.3
81.07049	43.0
83.04964	2.8
83.08620	8.8
85.02890	3.4
86.09716	1.5
91.05473	23.4
93.07044	13.0
95.04962	15.8
95.08604	8.2
97.02885	1.7
97.06520	3.0
97.10168	5.9
98.20772	2.0
99.04457	1.2
103.05499	1.4
105.07024	10.8
106.06553	2.1
107.04948	13.4
107.08577	10.2
109.02850	2.6
109.06501	5.8
109.10142	4.4
111.04422	1.8
111.08081	1.7
115.05415	2.1
117.07008	9.9
119.04946	8.0
119.08573	21.3
121.06487	7.5
121.10136	6.7
123.04409	3.3
123.08046	4.4
123.11657	1.3
125.09620	6.9
127.03886	3.6
128.04257	1.5
129.06998	5.2
131.08553	10.1
131.19731	1.1
133.06491	3.0
133.10097	5.3
134.06033	2.5
135.04413	11.4
135.08046	4.7
135.11720	2.4
137.05966	32.7
137.09619	1.9
141.07051	1.0
143.08565	2.8
145.06532	2.3
145.10109	10.8
147.04384	7.0
147.08020	11.6
147.11641	3.4
149.05968	2.8
149.09642	4.6
149.88754	1.0
150.05492	2.1
152.07062	23.6
154.08685	2.2
157.06482	1.4
157.10118	5.8
159.08057	1.7
159.11696	3.2
161.05963	6.1
161.09636	3.6
161.13316	0.9
163.11201	4.7
165.12871	1.0
169.10063	1.3
171.11688	2.2
173.05978	2.1
173.09566	1.2
175.07509	2.4
175.11064	2.5
177.09125	1.3
185.13287	1.0
187.07571	2.8
189.11282	3.2
193.12292	4.6
195.11673	1.1
201.08972	1.1
211.13210	6.1
216.95277	1.0
223.13278	4.2
245.19160	1.1
249.14883	4.4
255.13687	1.0
255.17517	1.1
273.18454	13.4
285.14743	1.8
291.19519	100.0
292.19922	4.2
293.21017	2.7
301.14114	1.1
302.17761	1.2
303.15927	6.4
409.23724	4.5
426.26315	1.2
427.24829	8.0
444.27493	5.4
445.25781	9.4
462.28458	52.2
463.28818	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	463.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04992	0.5
60.04495	1.1
61.99252	0.4
64.29250	0.4
67.26514	0.4
69.03384	1.4
70.06599	2.7
71.51230	1.0
72.08096	2.1
73.02850	0.4
74.06038	1.2
81.03384	0.8
84.04449	2.1
84.08148	2.6
85.02847	1.4
86.09686	2.6
88.03978	0.9
97.02837	0.6
102.05467	1.3
110.07127	0.9
120.08032	1.0
123.04384	2.9
129.10211	1.0
130.04936	0.5
132.10138	0.6
133.08835	0.5
134.06096	0.9
135.04382	0.5
140.06999	0.7
144.06554	0.5
148.07497	1.2
150.09068	1.4
157.06068	1.0
160.07521	0.9
161.10681	1.2
162.07596	0.6
163.78362	0.5
177.05431	0.5
178.16156	0.6
185.05496	0.6
191.08363	0.5
199.07199	0.7
215.09393	1.7
242.11697	2.3
243.12546	3.1
247.12875	0.9
254.11819	0.9
255.12442	0.5
256.13428	0.9
270.11337	3.0
275.53757	0.6
283.14383	2.9
284.15216	1.1
301.15451	100.0
302.15756	3.2
314.09674	0.6
332.10773	0.8
451.17145	0.5
463.20779	86.5
464.20947	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	462.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03944	2.5
55.01875	2.0
55.05514	2.7
58.68228	0.4
65.03943	0.8
67.05505	4.0
69.03414	0.9
69.07072	3.4
70.06586	0.8
71.04977	1.6
71.55753	0.6
72.08162	0.4
75.49622	0.3
76.26033	0.4
77.03914	0.7
79.05486	5.3
81.03422	2.3
81.07052	7.8
83.04994	1.0
83.08604	1.6
84.08134	0.7
85.02899	0.9
86.09700	0.8
87.04458	0.5
91.04903	0.8
91.05473	16.2
93.07037	15.3
94.04238	0.5
95.04962	7.5
95.08604	2.9
97.10151	1.0
99.08104	0.5
103.05463	11.2
105.04502	1.4
105.07036	2.0
107.04959	3.0
107.08590	2.1
109.02856	0.6
109.06514	1.4
109.10136	1.9
111.04413	0.6
111.08075	0.6
115.05437	4.8
117.06996	2.1
119.04938	4.8
119.08581	3.5
121.06496	49.2
121.10098	1.8
122.03593	0.5
122.06815	0.7
123.04433	0.9
123.08036	0.9
124.05168	0.5
125.09617	1.3
127.03915	0.6
129.06979	1.0
129.10220	0.5
131.04916	0.8
131.08540	1.5
133.02826	0.4
133.06487	1.0
133.10101	0.9
134.03616	0.8
135.04398	2.8
135.08008	0.7
135.11707	0.5
137.05969	17.1
137.09615	1.4
138.09123	0.7
141.03337	0.5
143.04927	6.4
143.08514	0.7
145.06479	2.4
145.10132	1.7
147.04411	2.8
147.08049	1.3
147.11728	0.8
149.05972	3.7
149.09607	1.6
150.05611	0.6
150.06763	2.2
151.03899	1.2
151.07631	0.4
152.07030	1.7
155.08507	0.5
157.06467	0.7
157.10112	0.7
158.03569	2.1
159.11693	0.6
160.05185	1.2
161.05998	2.6
161.09601	0.8
163.07562	0.5
163.11145	0.8
164.07059	1.3
165.06981	0.9
165.09119	5.5
166.07747	0.5
166.09462	1.2
169.06454	0.5
171.08000	0.4
173.05962	6.1
173.13235	0.5
174.06779	0.5
175.03891	3.1
175.07541	3.8
175.11200	0.5
176.06187	1.4
177.05551	0.7
177.06958	4.3
178.07704	1.0
179.08557	0.6
185.09572	0.5
186.03110	9.1
187.07475	0.6
189.06947	0.6
189.09045	0.8
189.10994	0.4
190.07838	0.4
191.07010	0.7
191.08586	0.9
193.06479	1.1
193.12178	0.7
194.07249	5.7
195.08040	0.8
201.05449	18.9
203.06984	2.0
203.08615	0.5
204.05753	2.1
205.06476	17.4
205.12277	0.4
206.07233	1.6
207.06314	0.5
207.08057	1.6
208.05260	0.4
208.08826	0.7
209.09668	0.8
211.07594	0.6
211.13269	0.7
215.03307	0.4
217.06494	0.6
218.07205	0.5
219.08052	3.1
221.05975	5.7
221.09512	0.9
222.06741	11.1
223.07489	2.0
223.13237	0.7
225.09268	0.4
226.06261	0.4
226.09882	0.4
227.07004	2.1
229.12187	0.6
231.08223	0.5
232.05235	0.7
233.05966	16.8
234.06741	4.1
235.07457	1.2
236.04703	0.9
236.08359	1.3
237.09106	13.4
238.09479	0.6
239.07024	2.7
247.07487	3.6
248.08180	0.8
249.05489	5.5
249.08041	0.5
249.09074	0.6
250.06227	14.7
251.06999	3.2
253.04970	0.7
253.08670	0.8
254.05710	1.0
254.09308	0.8
255.17424	0.5
260.04474	0.4
261.05469	3.1
262.06186	0.8
263.06967	1.1
264.07809	7.2
265.08578	29.2
266.06412	0.4
266.09225	3.2
267.06500	3.8
268.07321	0.8
273.18393	1.9
275.07025	1.2
277.04944	2.9
277.08105	0.6
278.05737	7.3
279.06439	1.4
279.10114	3.6
281.08038	1.6
282.08859	3.3
283.09692	0.7
284.10144	0.4
291.19516	11.8
292.03922	0.8
292.07269	18.9
293.08060	29.7
293.21039	0.7
294.08771	1.4
295.05966	3.3
297.11212	5.4
299.12766	0.8
303.15854	1.8
307.09619	46.9
308.10052	1.0
309.07516	0.5
309.20618	0.6
310.08289	4.1
311.16409	0.4
317.17529	0.6
325.10684	100.0
326.10974	1.7
329.17291	0.6
409.23544	1.0
426.26544	0.6
427.24713	2.5
444.27350	1.4
445.25723	1.5
462.19019	17.5
462.28418	11.6
463.19354	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	462.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97939	1.3
53.03937	3.8
55.01865	5.5
55.05510	14.9
57.03420	3.3
59.04977	1.7
63.12739	1.6
65.03931	2.7
67.05508	29.9
69.03401	2.8
69.07066	39.2
69.44417	11.9
70.06575	2.0
71.04974	3.6
72.50233	1.2
73.29280	1.3
79.05493	24.7
80.05013	1.7
81.03411	22.3
81.06591	2.5
81.07050	33.8
83.04974	7.2
83.08620	11.0
84.08156	2.3
86.09704	2.9
91.05477	44.6
93.07042	23.4
94.06575	4.6
94.07278	1.4
94.09306	1.3
95.04964	17.9
95.07364	3.7
95.08603	18.3
97.06522	4.6
97.10165	8.8
98.21565	2.8
99.04384	1.6
99.08114	2.1
103.05478	2.5
103.90942	1.3
105.07031	16.5
106.06558	5.0
107.04951	41.1
107.05645	2.9
107.08595	15.8
107.51615	1.5
108.82601	1.4
109.02859	1.7
109.06519	6.0
109.10143	19.6
111.08076	2.8
115.05426	2.7
117.06993	9.3
119.04932	14.7
119.08569	20.5
121.06493	11.1
121.10129	9.7
122.06023	13.5
122.06818	2.2
123.04429	4.1
123.06844	7.5
123.08061	3.9
123.11741	2.1
124.05230	3.1
125.09637	6.1
125.42181	1.5
128.06221	1.4
129.07004	5.3
129.11351	1.5
131.04857	1.6
131.08563	10.3
133.06487	5.1
133.10127	8.5
134.06009	6.3
135.04401	15.5
135.08049	5.3
135.11682	6.3
137.05969	96.4
137.09601	8.7
143.08551	4.6
145.06474	1.8
145.10159	9.5
147.04411	5.5
147.08032	9.2
147.11719	3.8
149.05981	4.0
149.09605	27.9
149.10754	1.8
149.13269	2.6
150.05493	24.4
151.06279	25.9
151.07463	3.0
151.11206	1.7
152.07062	39.3
154.08635	6.8
155.08426	1.6
157.10130	3.9
159.08110	2.1
159.11711	5.6
161.05974	5.6
161.09587	6.7
161.13293	1.7
163.07571	2.8
163.11192	6.1
165.09114	4.7
171.11647	3.3
173.05971	4.7
173.09657	2.7
173.11768	9.0
175.07558	2.9
175.11200	4.1
177.05446	1.6
177.09111	2.9
187.07510	4.2
187.11227	1.9
189.09198	1.7
189.11206	2.9
193.12154	3.6
199.14870	1.6
201.09131	1.6
202.08784	1.4
203.10655	2.1
211.13208	3.3
215.10649	2.0
217.12227	2.0
221.15401	1.7
223.13298	4.1
227.17839	2.1
229.12248	3.8
233.61198	1.5
235.13383	2.2
249.14746	2.1
255.13762	2.3
255.17542	2.3
272.16400	2.6
273.18457	16.9
285.15027	1.4
288.01376	1.5
291.19528	93.9
292.19901	2.4
293.21176	2.8
303.15961	2.9
317.17465	2.1
325.10532	2.0
329.17554	4.5
339.16159	2.0
344.18686	4.0
346.20178	8.2
357.16885	3.1
370.24667	2.4
391.22928	2.2
400.07767	1.3
401.88416	1.5
409.23746	8.7
426.26428	5.6
427.24774	17.8
444.27597	20.6
445.25943	6.4
462.28522	100.0
463.29337	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	462.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10053	0.4
53.03942	0.8
55.01863	0.4
55.05498	0.6
56.05030	1.0
57.03429	0.8
60.04516	0.4
61.02927	1.0
65.03928	0.6
66.40823	0.4
67.11899	0.4
69.03434	2.2
69.07065	0.5
70.06595	7.4
71.06934	0.5
71.59932	0.7
72.08156	2.8
72.64005	0.4
74.06062	0.8
79.05472	0.7
81.03418	1.0
81.07072	0.4
83.06101	0.6
84.04491	2.2
84.08142	3.2
85.02904	4.2
86.09708	8.6
87.04453	0.4
87.10050	1.2
88.03973	0.6
89.03913	1.6
91.03946	0.5
91.05474	9.6
93.07043	1.6
95.04948	0.9
97.02882	1.5
98.06062	0.4
102.05553	0.6
103.05459	1.9
105.36478	0.4
107.04967	1.5
109.02853	1.0
110.07174	1.4
115.39538	0.4
116.07114	0.6
117.03394	4.3
119.04947	18.9
120.08096	3.1
121.05665	0.9
121.06502	12.3
126.05511	0.5
127.03902	0.9
129.10220	1.8
130.06476	1.2
135.04428	4.0
136.07607	1.0
137.05965	6.2
138.05525	1.2
138.09158	1.0
145.02846	12.5
145.04837	0.6
147.04408	100.0
148.04738	1.9
149.05972	1.1
153.25276	0.5
159.09215	0.6
163.03902	30.9
165.07834	0.7
171.11560	0.5
177.05472	11.6
179.10690	0.5
188.06963	0.5
197.11743	1.7
219.22224	0.4
235.23924	0.5
287.10632	1.2
292.12698	0.5
300.12299	40.5
301.03455	0.7
301.12701	0.7
303.05069	0.4
310.07077	3.8
311.07410	0.6
462.11728	1.9
462.17535	2.8
463.16095	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	6.4
55.01847	6.5
55.05511	40.8
57.03431	15.9
65.03922	6.2
65.60264	5.3
67.05497	71.4
69.07057	35.2
71.26974	11.6
79.05087	6.4
79.05494	82.8
81.03452	10.6
81.07050	84.9
83.04948	7.9
83.08620	21.7
84.08145	5.8
85.06525	5.2
91.05474	100.0
93.07040	78.8
95.04956	22.8
95.08601	53.0
97.06505	13.9
97.10144	12.3
103.94949	5.6
105.07024	76.0
107.04932	15.5
107.08562	27.7
109.06499	7.7
109.10145	22.1
111.08076	8.1
115.05470	8.0
117.06998	56.7
119.08584	48.6
121.06496	13.3
121.10129	14.9
128.06238	14.5
129.06984	59.2
131.08549	67.1
133.06439	10.0
133.10103	33.2
135.08095	7.2
135.11682	13.6
138.06297	5.2
141.06976	22.3
142.07706	5.9
143.08548	59.3
145.06435	20.5
145.10085	31.7
147.11685	10.4
149.09610	9.2
155.08553	35.2
157.10118	24.7
159.11722	10.2
161.09589	10.2
163.11209	7.4
165.07007	10.5
167.08507	13.0
168.09375	7.3
169.10118	23.7
171.11681	12.9
173.09492	6.3
173.13272	6.4
175.11079	6.1
177.12665	6.6
179.08530	7.5
180.09389	6.7
181.10121	20.1
183.11679	17.4
185.13234	11.5
195.11684	15.5
197.13216	12.3
199.14807	6.8
201.12529	7.9
209.13235	6.9
211.14798	9.5
215.14285	14.8
217.15907	5.5
221.13162	11.6
223.14745	11.2
225.16331	7.7
227.12668	16.5
235.14799	7.7
239.14400	12.7
257.15244	9.3
271.16931	9.4
275.16351	8.8
321.24304	9.9
323.23654	11.5
333.22150	18.7
341.24506	9.7
351.19202	8.4
351.23123	57.8
359.25696	7.5
369.24097	62.3
387.25323	28.3
431.27722	6.9
443.27948	69.3
457.45221	5.4
461.29065	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	461.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.1
53.03933	7.2
55.01856	7.2
55.05510	25.9
57.03436	18.7
60.01928	1.7
65.03930	4.5
67.05499	58.1
69.03140	1.8
69.03434	17.1
69.07063	22.7
71.04971	6.8
71.61079	2.4
71.61434	2.9
71.77362	2.0
72.30887	1.8
73.02918	2.8
75.04472	2.8
79.05485	51.9
81.03418	26.4
81.07047	63.4
83.04993	12.7
83.08604	11.8
85.02917	4.8
85.06524	3.6
87.04450	1.9
91.05482	44.4
93.06483	3.5
93.07040	52.0
95.01315	15.3
95.04965	22.8
95.08592	47.1
97.02892	25.7
97.06517	6.2
97.10178	6.3
99.04448	6.5
103.03876	2.5
103.05444	2.1
105.07024	42.0
107.04955	10.6
107.08591	25.8
109.02853	8.3
109.06519	6.1
109.10159	18.7
111.04436	6.8
115.05420	6.0
117.07011	33.0
119.04954	2.8
119.07806	4.1
119.08575	37.6
121.06493	10.4
121.10123	20.8
123.04410	10.7
123.08060	3.4
123.11679	3.8
127.03886	3.1
128.06226	7.8
129.05496	4.3
129.07007	22.1
131.04997	3.8
131.08565	40.3
133.06483	10.2
133.10132	26.3
135.04442	4.6
135.08044	7.6
135.11707	15.2
135.75383	1.9
137.05992	4.1
137.09596	2.9
139.07564	2.0
141.06985	9.8
142.07748	6.3
143.08566	24.2
145.06477	15.1
145.10118	25.3
147.08083	8.9
147.11694	13.4
149.09529	4.4
149.13249	4.8
151.07458	4.1
151.11105	2.6
152.06183	1.9
153.07071	2.5
155.08531	14.8
157.06496	7.9
157.10150	20.2
159.08066	11.1
159.11674	17.7
161.05933	4.1
161.09622	8.9
161.13309	11.0
163.07513	4.6
163.11148	3.1
163.14799	3.0
165.06996	2.5
167.08510	5.9
168.09372	4.0
169.10115	12.8
171.08044	8.5
171.11667	17.2
173.06029	2.8
173.09604	10.2
173.13219	10.9
175.07516	6.2
175.11259	4.0
175.14813	2.2
177.09135	3.6
177.12769	3.2
181.10063	4.7
183.06517	4.8
183.08051	5.8
183.11639	11.8
185.09630	9.1
185.13210	13.8
187.07611	3.2
187.11172	9.2
187.14737	4.1
189.09146	3.7
189.12669	3.0
191.10678	3.1
191.14384	3.3
191.84859	2.4
193.10162	2.8
195.11649	7.9
197.09583	6.6
197.13277	8.3
199.11157	6.7
199.14824	8.4
201.12726	5.9
201.16388	3.5
203.10745	3.7
207.11891	3.0
209.13290	5.2
211.11200	4.0
211.14789	6.2
213.12865	10.1
215.14359	5.1
223.14792	3.3
225.12752	4.4
225.16423	3.5
227.14323	5.0
228.14908	2.4
231.13678	2.5
231.17381	2.3
235.14774	2.7
239.14406	3.4
241.19551	3.2
245.15144	2.7
253.16035	3.8
259.20505	7.4
261.22125	4.0
273.22067	2.7
285.22147	3.0
297.22116	3.2
299.23605	2.5
309.22092	5.4
315.23077	3.2
323.23734	4.2
325.21472	3.3
327.23026	11.3
335.25931	10.9
341.24875	12.0
345.24097	4.1
351.22989	17.3
359.25882	4.3
369.24210	49.4
387.25357	14.5
401.26968	2.5
425.26892	5.5
431.27896	3.4
443.27869	54.7
461.28943	100.0
462.29333	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	461.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
56.05036	1.8
60.04519	1.0
63.70463	0.3
67.05474	0.4
68.05015	0.4
69.03431	0.8
69.07066	1.2
70.02950	0.7
70.06591	9.2
71.51266	0.6
72.08157	7.8
73.02905	1.6
73.60204	0.4
74.06076	2.7
79.05504	0.7
81.03437	0.6
81.07032	0.4
83.06111	0.4
84.04509	5.6
84.08140	4.6
85.02902	1.4
85.04015	0.9
86.09703	100.0
87.05592	0.6
87.10035	1.6
88.03984	4.8
89.03866	0.4
91.05492	0.5
91.10889	0.3
93.07050	0.6
95.06111	0.5
96.04496	0.6
96.08125	1.2
97.02899	0.5
98.02420	1.3
98.86378	0.4
99.04501	0.4
100.03994	2.1
101.07154	0.7
102.05550	3.3
103.05439	0.4
105.07070	0.4
107.04964	2.4
107.08586	0.5
109.02874	0.8
110.07178	1.5
112.08695	0.4
113.10793	1.0
115.08672	0.6
116.07084	0.7
117.03397	1.2
119.04935	1.0
120.06599	2.3
120.08086	4.0
121.08397	0.5
123.04438	0.4
127.03889	0.5
128.10695	0.5
129.10265	2.5
130.05028	1.6
131.08585	0.4
132.10231	0.7
134.06013	0.4
135.04442	1.9
136.07597	1.6
137.02318	0.7
137.05931	0.9
138.09142	2.5
140.52272	0.3
141.06602	1.0
141.10201	4.5
142.08640	0.7
144.06601	1.1
145.02817	1.9
145.06145	0.4
146.06007	0.4
146.11786	1.0
147.04430	1.2
149.06020	0.7
150.29774	0.4
151.03938	0.4
152.07063	4.6
155.11768	0.8
156.10190	5.0
159.07671	0.8
159.09119	0.5
159.11380	1.2
162.07611	1.8
163.03877	0.6
164.07120	0.5
166.08684	1.0
167.07095	0.4
169.90086	0.4
173.12880	2.0
176.07088	0.4
177.05446	2.2
183.11276	3.4
184.09741	1.4
187.07178	1.2
187.10809	1.2
197.12872	0.7
201.12332	39.2
202.12666	0.8
207.06532	0.6
212.09334	0.4
215.13898	7.6
229.11833	31.2
233.14944	12.2
243.13510	0.7
257.15076	1.0
261.14496	1.4
268.06296	3.0
275.16080	1.1
282.07785	0.4
297.18036	0.7
314.20648	0.5
316.11353	0.5
328.22614	0.4
342.20178	2.5
363.33536	0.4
399.19742	0.5
425.23776	0.9
443.25003	2.9
461.19434	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	461.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.0
56.05033	19.9
56.29315	0.9
57.03418	2.0
57.05815	1.0
58.06598	5.4
60.04510	4.2
65.03940	1.1
68.05005	1.5
69.03405	1.9
69.07063	2.3
70.06588	17.3
70.64156	3.0
72.08153	94.5
73.04046	1.0
74.06076	100.0
75.04457	0.9
80.74414	0.8
82.06518	1.4
83.06059	2.3
84.03989	2.3
84.04500	47.5
84.08134	10.0
85.02889	2.9
85.04829	1.2
86.09702	69.4
87.05564	1.9
87.10036	1.9
88.03965	2.2
91.05464	2.4
93.07019	1.1
93.80835	0.9
96.04446	1.0
96.08117	1.2
97.02873	1.4
101.07118	5.7
102.04873	1.3
102.05540	26.9
107.04955	3.1
110.07141	3.4
110.09694	4.3
112.07564	1.3
112.11195	2.1
114.05513	0.9
119.04941	1.6
120.08073	3.4
121.06518	0.9
127.03888	0.9
127.08714	1.6
128.10701	5.9
129.06625	1.3
129.10228	8.1
130.04939	1.7
132.10201	25.5
135.04404	2.2
136.07542	4.2
137.02367	8.1
138.09137	18.4
140.86005	0.8
141.13905	1.1
144.06480	1.2
145.02821	3.1
145.04874	1.3
147.04349	2.3
147.07616	0.8
152.06989	4.0
155.11752	3.0
156.10196	12.3
157.07556	1.3
158.06032	1.3
162.07599	1.9
166.08542	1.0
169.13348	3.9
171.11264	1.0
173.12848	24.9
177.05452	4.7
178.08621	1.0
183.11292	29.7
187.10750	4.0
187.14417	11.5
197.12848	6.2
201.12337	56.9
202.12601	1.5
207.06621	1.1
211.10773	8.7
213.11163	2.1
215.10374	1.0
215.13911	9.8
229.11842	19.8
233.14958	75.9
234.15387	1.2
243.13385	16.8
247.12955	2.3
261.14456	7.1
266.14651	1.1
284.16000	3.7
294.14432	1.4
298.10330	1.1
312.15518	18.1
316.16251	1.1
330.16629	7.6
379.23434	5.9
397.24554	1.2
416.62344	0.9
425.23706	5.4
443.24759	2.8
444.22699	0.9
461.19858	2.5
461.25940	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	461.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05507	3.6
55.39277	0.4
56.05028	5.7
58.06602	2.0
60.04518	5.6
60.05642	0.5
69.03430	0.8
69.07065	4.1
70.02947	1.2
70.06205	0.8
70.06589	15.6
71.06934	0.6
71.57427	0.4
72.08150	25.6
74.06071	11.3
79.05506	0.4
81.03440	0.8
81.07045	0.6
83.06089	0.5
84.04504	16.1
84.08142	8.4
85.02889	1.5
85.08505	0.5
86.06049	1.1
86.09701	100.0
87.05589	2.4
87.10013	2.7
88.03981	1.8
91.05483	0.8
95.04979	0.4
96.08131	0.7
97.02887	0.5
98.06031	0.6
98.09695	0.7
100.07637	0.4
101.07142	6.4
102.05538	11.3
107.04948	1.0
108.04553	0.4
110.07131	2.8
110.09669	0.9
113.07120	0.5
115.08682	0.6
116.07088	1.7
119.08429	0.4
120.06582	0.6
120.08092	3.6
123.04402	0.5
125.07135	0.5
125.10721	1.1
126.05509	3.9
127.08729	0.7
128.10718	0.7
129.06635	1.2
129.10243	5.0
130.05008	1.4
130.10550	0.5
131.08180	0.6
132.10210	5.0
133.10239	0.4
134.04495	0.5
135.04478	0.5
136.07591	2.1
137.02332	3.4
137.05975	0.9
138.09178	0.6
140.07114	0.9
141.06604	1.5
141.10286	1.4
142.08659	0.5
142.10690	0.4
142.12256	2.5
143.11807	1.7
144.06509	2.7
145.02882	0.7
146.06017	1.2
147.04425	1.5
147.07726	0.5
148.06041	2.0
150.05582	0.8
153.06573	0.5
154.04951	2.1
155.11786	1.2
156.10210	0.6
159.11301	0.7
161.09274	1.0
162.07652	1.3
163.03867	0.6
164.07112	0.5
166.08606	0.7
167.08270	0.6
169.13434	0.7
171.07648	2.8
172.11571	0.6
173.09341	0.7
173.12856	5.1
177.05508	1.0
183.07600	0.5
183.11287	6.7
185.09282	0.5
186.88373	0.4
187.10846	1.7
187.14413	21.4
189.08696	5.0
195.07596	0.5
197.12871	5.3
199.07214	2.0
199.11066	0.4
200.13977	1.0
201.12366	7.2
201.14207	0.8
203.10234	0.5
207.06421	0.5
213.08731	0.4
215.10612	0.7
215.13896	19.2
217.08191	5.6
217.11809	0.7
219.13492	1.5
225.12329	0.8
228.13510	0.6
229.11816	3.5
229.13666	0.5
231.09784	1.3
231.13310	0.5
231.17001	1.0
233.11412	0.7
233.14963	4.1
243.13385	13.9
246.14746	0.7
247.12856	12.5
254.15041	0.8
261.14398	5.3
282.14511	1.0
284.16071	1.3
296.19775	0.5
312.15521	6.2
328.22299	1.1
330.16629	4.1
348.17697	3.2
358.16159	0.6
425.24023	0.7
443.24979	1.4
461.18979	1.4
461.25943	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	461.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01870	0.5
55.05512	0.9
56.05037	4.2
56.22692	0.3
56.85664	0.3
57.03427	0.7
58.06593	1.4
60.04528	1.3
67.05488	0.6
68.99818	0.4
69.03455	1.6
69.07066	6.6
70.02956	0.5
70.06588	7.8
71.04980	0.7
72.08156	6.6
74.06081	11.6
79.05543	0.4
81.03437	1.9
81.07045	0.7
82.06588	0.6
83.04997	0.3
83.06105	0.5
84.04501	5.1
84.08149	3.7
85.02901	3.0
85.04034	0.9
86.09706	100.0
87.00832	1.1
87.05588	0.7
87.10027	1.1
88.03985	2.8
91.05481	1.7
93.07037	0.7
95.04965	0.6
96.08117	0.4
97.02895	0.8
98.02432	0.4
98.09682	0.4
99.04469	0.9
100.07629	0.8
101.07140	4.3
101.70734	0.4
102.05556	1.5
103.05471	0.5
105.07062	0.6
107.04971	0.5
107.08614	1.1
109.02882	1.1
110.06031	1.0
110.07190	1.4
111.04439	0.5
111.05563	0.5
112.04046	0.4
115.08733	0.4
116.07121	0.4
119.04980	0.5
120.08096	2.5
121.10142	0.7
122.02740	0.7
122.03638	0.3
125.07150	0.6
126.05515	2.3
127.03926	3.2
127.04897	0.6
128.07077	0.8
128.10742	0.6
129.06601	5.4
129.10236	2.0
130.04993	0.5
131.08604	0.6
132.10190	2.1
136.07590	0.9
137.02382	0.6
137.05986	4.7
137.09569	0.3
138.09076	0.3
141.06651	0.5
141.10240	1.1
142.12294	1.2
143.11829	1.0
144.06575	2.1
145.05031	0.4
145.06111	0.7
145.09773	1.3
147.04436	0.8
147.08073	0.4
149.09648	1.4
153.06660	1.1
154.05038	0.6
156.10233	1.1
159.07733	0.4
159.09163	0.4
166.08661	0.8
167.10643	1.6
171.07648	6.8
173.05643	0.8
173.12886	2.1
173.14285	0.3
177.05519	0.8
177.09103	0.4
177.78981	0.4
183.11327	0.8
187.10770	0.4
187.14432	9.6
189.03932	0.4
189.08719	6.4
191.10721	0.5
199.07158	1.3
199.17989	0.3
201.12335	5.7
201.14011	0.6
212.09135	0.5
213.11176	0.7
215.13937	3.1
217.08212	13.7
229.11855	2.1
229.46033	0.3
233.15201	0.5
245.18611	10.0
246.19122	0.4
247.12897	1.4
249.12691	0.4
251.07062	1.0
257.15042	0.6
261.14438	0.7
267.10461	0.4
268.06247	0.5
284.16165	1.3
294.08820	0.3
295.09695	0.4
297.11020	0.4
302.17206	1.2
307.09601	0.4
309.11322	0.9
312.15460	1.8
327.12436	0.5
330.16553	5.2
340.21094	1.0
443.25711	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	461.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
55.05498	9.8
57.03426	2.3
60.04521	3.3
65.51604	2.6
67.05500	10.5
68.07237	2.2
69.03417	7.5
69.07078	16.2
70.06582	23.9
71.04962	3.7
71.10519	6.5
72.08149	12.5
79.05476	8.6
81.03424	6.5
81.07054	23.6
83.06098	15.0
83.08623	11.9
84.04507	49.5
84.08134	6.1
85.02907	14.4
85.06570	3.1
86.09702	21.8
87.00797	3.3
91.05469	6.0
93.07030	13.7
95.08610	32.7
97.02882	5.0
97.10146	6.2
99.08104	17.7
101.07153	5.9
102.05544	10.5
105.01848	5.4
105.06995	6.8
107.08586	32.9
109.02892	4.8
109.10171	12.3
110.07172	3.3
111.08047	6.0
113.09618	4.4
120.08091	7.5
121.10134	53.9
123.11663	4.1
125.09613	6.1
126.67769	2.5
127.03901	9.3
129.06587	19.4
129.10251	4.5
130.04993	46.0
135.11688	11.4
137.13245	7.2
145.04976	3.9
147.04446	3.6
147.07587	19.0
149.13202	3.8
167.06966	3.1
177.16368	100.0
178.16727	2.8
195.17458	26.6
213.18483	51.3
244.13234	2.3
272.37744	3.0
279.23169	7.8
297.83994	2.7
386.69791	2.9
425.29880	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	461.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43334	0.8
55.05509	7.4
56.05028	7.7
57.05806	1.0
60.04525	4.1
61.01148	1.0
69.03429	0.9
69.07070	2.6
69.75005	0.7
70.02962	1.5
70.06588	24.3
70.99910	0.8
71.22441	1.6
72.08150	100.0
73.08492	2.2
74.06070	4.2
83.06099	2.1
84.04499	57.9
84.08134	15.8
85.02908	3.3
85.08488	1.0
86.09702	56.2
87.05547	1.2
87.10048	2.9
88.04000	3.1
91.05491	1.5
96.04517	1.0
98.02465	0.7
98.06047	1.2
101.07130	2.3
102.05538	38.2
104.05348	1.0
104.07092	8.2
107.04926	0.8
110.06060	2.4
110.07148	3.7
112.08728	1.3
115.08656	0.8
116.07122	1.5
118.06551	0.8
119.04942	1.3
120.06595	1.1
120.08092	2.9
121.06358	0.8
122.06001	1.6
123.04416	0.8
126.10305	0.8
127.08691	2.2
128.07076	0.8
129.06584	5.8
129.10231	9.5
130.04988	8.2
130.06552	2.6
130.10548	0.9
132.08101	2.6
132.10178	5.4
135.04451	0.8
136.06149	1.9
136.07582	3.2
137.05937	1.8
138.09137	1.8
141.10265	1.8
142.08626	1.6
142.12244	0.8
143.11751	1.2
144.06604	0.9
147.07639	5.8
148.06035	2.8
150.05508	1.0
155.08151	6.8
155.11841	0.9
156.10239	1.0
159.09158	12.1
163.03943	1.6
166.37950	0.8
167.08160	4.8
168.06621	2.7
169.09775	1.6
169.13423	0.9
170.06084	2.2
173.09215	7.0
173.12881	1.7
177.05461	1.5
183.07639	6.2
183.11325	3.4
186.07707	1.0
187.08730	1.5
187.10817	5.5
195.07625	5.6
196.06052	0.8
197.12868	5.5
198.13223	0.8
199.18053	1.7
200.14011	0.8
201.08669	5.7
201.10670	1.2
201.12297	6.3
203.13892	16.5
203.15646	1.2
205.06354	1.3
213.08694	3.8
214.07007	0.9
215.10202	4.5
215.13934	2.6
217.08145	1.3
223.07584	1.3
227.17697	0.9
229.11809	4.4
231.09721	12.6
233.11406	2.3
235.09306	2.3
241.08200	6.5
243.13393	11.8
243.15746	0.9
247.12892	6.0
259.09232	16.5
261.14508	3.0
284.12506	1.9
293.08279	1.0
311.09003	0.9
312.11932	3.3
312.15619	4.1
328.11823	3.2
330.12888	2.6
340.15005	4.4
358.16299	1.6
397.87210	0.7
425.14072	0.9
461.15753	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	461.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43031	1.7
55.05504	4.3
56.05033	6.6
60.04508	2.0
69.07068	2.6
70.06580	6.0
70.19754	5.0
72.08154	100.0
74.06078	5.4
81.03359	1.8
84.04505	90.2
84.08138	4.9
85.02908	1.8
86.09704	25.6
87.05552	1.6
89.24070	1.5
90.05556	2.2
102.05537	24.9
116.07092	3.8
120.06596	2.4
129.06593	2.9
129.10243	2.7
130.05011	3.2
132.10216	1.8
137.06033	2.4
143.08040	1.8
143.11794	63.0
144.06561	56.1
144.07466	1.3
144.12105	1.5
157.64946	1.7
162.07616	19.5
167.08185	2.9
171.11288	41.9
179.64915	1.6
185.16478	4.3
195.07690	3.7
197.12851	2.7
201.08701	5.4
201.12370	3.0
213.08763	2.9
213.15956	1.9
215.13907	4.2
216.09828	2.3
219.09680	1.7
229.11876	2.7
231.09772	5.9
239.19618	1.5
241.08096	2.3
243.13336	2.1
249.10840	3.3
250.81355	1.6
255.09689	20.6
273.10815	69.0
274.11050	2.3
291.11826	13.6
300.15488	8.5
377.74869	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	459.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48428	0.2
53.03925	0.2
53.26022	0.2
55.05511	8.0
56.05033	1.5
56.40004	0.2
57.05815	0.8
60.04534	0.3
67.15395	0.2
67.52651	0.2
69.03417	0.4
69.07072	0.7
69.95442	0.6
69.95862	0.9
70.06599	3.4
72.08155	100.0
73.08487	0.7
83.06119	0.4
83.47769	0.3
84.04503	6.1
84.08124	1.5
85.02913	0.6
86.09707	15.8
88.03999	0.3
89.06028	1.0
91.05514	0.4
93.07033	0.5
101.07130	0.5
102.05544	11.5
107.04947	0.4
110.07137	0.4
110.09663	0.4
115.08658	0.3
119.04984	0.3
119.08640	0.3
120.08118	0.6
129.06596	0.5
129.10211	0.8
130.05031	0.6
131.00075	0.5
132.10191	4.9
133.08577	0.7
136.07562	0.6
137.05977	0.5
138.09143	1.5
141.10156	0.4
143.11760	0.3
147.07782	0.2
148.06049	0.4
148.97397	0.3
149.94528	0.4
152.07069	0.6
155.11824	0.4
156.10216	1.7
159.09256	0.3
171.14943	0.8
176.96898	1.2
183.11304	3.8
185.16443	1.0
188.96951	0.4
197.12968	0.3
199.14366	0.5
199.18085	1.0
201.12338	20.7
202.12531	0.4
211.10797	0.4
213.15942	0.6
215.13950	0.3
219.08032	0.3
227.17593	1.2
229.11836	36.9
230.12093	0.6
231.17038	21.4
233.11317	0.6
233.14957	0.7
243.13530	0.6
244.99420	0.7
248.68008	0.3
261.14471	0.7
281.06567	0.3
297.06427	0.5
300.19104	0.5
328.18649	5.5
336.10718	0.3
339.07562	0.4
342.20016	0.6
360.21329	0.5
415.19250	0.5
417.62665	0.3
459.11304	0.7
459.17981	1.8
459.27917	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	459.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17097	0.3
55.05511	0.8
56.05035	3.2
57.05815	0.4
60.04528	0.3
62.17854	0.4
67.05502	0.6
69.03419	0.7
69.07066	6.4
69.49615	1.0
69.50043	2.0
70.06590	3.9
72.08152	4.1
74.06078	6.0
79.05498	0.6
81.03413	0.7
81.07069	0.4
84.04501	1.4
84.08151	2.2
85.02912	0.7
86.09703	100.0
86.94537	0.3
87.10033	1.1
91.05482	1.0
93.07029	0.7
94.71897	0.4
95.04964	0.5
95.08617	0.7
97.07670	0.6
98.06093	0.8
98.20802	0.6
101.07198	0.3
102.05531	1.0
105.07048	0.4
107.04983	0.5
109.02844	0.4
110.07159	1.0
111.04456	0.4
116.07097	0.8
119.04931	0.4
119.08560	0.4
120.08122	1.1
121.06515	0.7
124.05224	0.5
126.05510	6.5
129.10231	1.1
130.04991	0.3
132.10210	0.7
135.11667	0.4
136.07614	0.4
137.05984	1.2
142.12260	0.6
144.06558	0.9
146.11772	1.0
151.11162	0.4
152.07129	0.5
153.06587	2.8
153.07741	0.5
154.08682	0.4
157.10121	0.5
157.13356	6.7
159.08018	0.4
162.19893	0.3
169.09799	0.6
173.06102	0.3
173.09248	1.0
185.12804	2.8
187.14412	2.8
197.09218	14.8
197.12927	1.0
201.08725	1.1
215.10272	6.5
215.13768	1.9
229.12128	0.4
245.18637	6.6
259.20209	0.5
282.18103	0.7
297.16815	0.4
300.19189	7.5
314.16974	0.5
328.18689	3.6
328.22281	0.5
357.38828	0.3
424.91388	0.3
448.84387	0.4
453.52026	0.4
459.16168	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	460.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61488	1.4
55.05506	8.0
56.05022	7.5
59.82446	1.4
60.04501	3.9
60.05628	1.3
61.01146	1.5
69.07056	4.5
70.02962	2.5
70.06586	28.8
71.06927	2.5
71.51553	2.5
72.08148	100.0
74.06062	5.2
76.02197	1.2
81.07053	1.3
82.06566	2.0
83.06097	26.3
83.15134	1.5
84.04498	59.1
84.08139	26.7
85.02892	4.2
86.09701	65.2
87.05568	6.2
87.10033	1.7
88.03986	7.9
91.05483	4.0
101.07130	9.5
102.05527	20.7
104.07085	6.6
107.04922	2.7
110.06023	3.9
110.07150	5.3
115.08699	2.5
116.07053	1.4
119.04957	1.9
120.08096	5.0
122.06004	2.2
129.06589	9.2
129.10222	19.9
130.04994	9.3
130.08633	1.6
132.10196	8.5
135.04430	2.8
136.06186	3.3
136.07602	4.9
137.06024	1.9
138.09123	3.1
141.10225	3.9
145.06129	1.7
147.04399	2.8
147.07651	11.8
152.07063	5.6
154.09770	6.8
155.08124	10.9
155.11780	2.3
157.09697	3.5
162.07535	2.1
163.03946	3.8
164.07098	2.4
166.08583	1.7
167.08224	7.0
169.09694	5.7
172.10783	2.5
173.09219	3.4
173.12877	2.6
182.09242	6.0
182.12875	2.5
183.07639	5.5
183.11240	7.3
186.12389	2.4
187.10773	3.9
187.14290	2.7
195.07675	3.1
197.12775	2.9
200.10326	5.0
200.13953	2.3
201.08667	6.5
201.12311	5.5
203.13876	4.5
211.60844	1.4
212.10448	10.2
213.08549	2.8
214.11853	8.8
215.10277	6.4
215.13893	2.1
228.13429	3.5
229.11818	3.8
230.07674	4.0
230.11473	3.8
240.09761	8.7
241.08072	4.1
243.13370	7.6
246.14552	7.9
247.12914	3.5
258.10858	7.7
260.16034	3.5
261.14279	3.0
298.10733	2.8
311.13687	2.2
312.11728	4.4
312.15295	2.9
313.55560	1.5
329.14578	6.5
330.12909	4.1
339.16333	3.3
397.20895	3.7
442.22684	13.5
447.70078	1.7
460.25067	1.7
460.30814	1.4
472.55093	1.7
475.95886	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	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.8
55.01870	9.3
55.05498	1.0
55.49921	0.7
57.03442	5.9
60.04525	1.8
61.02922	6.8
68.99776	3.8
69.03432	35.8
69.74857	4.1
69.75273	1.6
70.06595	3.5
71.05009	5.1
73.02915	8.8
77.19586	0.7
79.05473	0.9
80.05034	1.0
81.03423	35.4
84.08128	1.2
85.02906	84.5
86.09685	1.3
87.00830	40.0
87.04444	0.8
89.19599	0.8
91.03944	3.1
91.05473	1.8
95.04973	1.4
97.02894	37.5
98.20763	1.5
99.04457	14.0
103.03927	1.0
103.05481	6.7
105.01871	30.2
105.07037	3.1
107.04958	9.5
108.04478	10.2
109.02882	36.0
111.04473	0.8
115.03967	1.1
115.05463	1.5
117.01862	4.2
120.08155	1.0
121.06516	1.5
126.05489	4.7
127.03918	59.6
129.01848	4.0
131.04942	1.9
133.02869	1.6
133.06488	1.0
135.08076	8.6
139.03893	3.6
145.04961	25.2
147.02887	4.3
147.04453	1.1
154.06253	36.9
159.02905	18.7
163.07550	31.2
167.06989	1.7
177.88573	0.8
180.07852	2.3
195.10173	100.0
196.10477	1.3
196.68463	0.8
212.05595	1.2
213.03986	2.6
230.06592	3.8
231.04974	11.0
244.96698	0.8
248.07619	5.5
249.05972	1.5
265.08704	1.2
266.08743	1.7
278.96048	0.9
285.11240	1.0
303.12256	1.0
325.10754	2.4
344.50748	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	459.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44850	0.3
52.39893	0.3
55.05510	7.0
56.05029	1.6
57.05824	0.9
60.04522	0.7
69.03422	0.7
69.07063	8.1
70.02961	0.5
70.06588	10.6
70.51302	1.3
70.56116	0.4
71.06912	0.7
72.08150	100.0
73.08501	1.1
74.06085	1.1
79.05457	0.5
83.06110	1.0
84.04503	5.9
84.08142	4.4
85.02908	1.2
85.08483	0.5
86.09702	97.9
87.05589	0.9
87.10016	0.9
88.04014	0.4
91.05486	1.1
97.02865	0.7
97.41711	0.4
100.07602	0.5
101.07132	0.6
102.05552	2.2
107.04942	0.4
110.07161	1.4
116.07106	0.7
119.04925	1.4
120.08089	1.5
123.04434	0.6
127.03858	0.4
129.10229	3.6
130.04996	3.3
135.04404	0.7
135.05595	0.4
136.07607	1.0
137.05902	0.4
137.94112	0.4
140.14359	0.5
141.10104	0.7
145.02859	0.5
147.04416	8.0
148.06041	11.7
148.07201	0.8
150.05521	0.6
152.07062	0.5
155.08093	0.4
157.09683	0.4
163.03928	1.1
164.07088	0.7
164.11903	0.4
169.13367	0.6
171.14917	29.7
172.15276	0.5
176.07091	0.4
177.05437	0.6
178.05020	0.6
182.04950	0.4
184.04280	0.8
185.16490	3.4
186.12375	0.4
196.14381	0.5
199.14413	32.9
205.07660	0.5
207.94638	0.4
208.02815	0.5
213.16003	2.3
214.11841	0.4
229.15469	1.9
242.14954	0.8
243.13448	0.8
261.14444	53.9
262.14694	0.8
267.20587	1.8
273.03375	0.4
278.11737	0.3
285.15689	0.4
297.08646	1.2
298.10916	1.9
312.22763	5.7
330.10880	0.5
360.21115	0.9
459.13177	0.6
459.28156	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	459.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01871	10.1
55.05513	70.6
57.03428	8.4
65.03925	3.3
67.05501	48.4
69.03403	5.8
69.07070	15.7
69.77390	4.8
69.77800	9.5
70.06571	2.9
71.04980	2.4
77.91596	1.8
79.05491	56.8
81.03419	4.3
81.07055	48.0
83.04970	6.4
83.08618	30.5
85.06540	2.3
85.22407	2.1
86.09681	2.2
89.81419	1.9
91.05468	46.2
93.07042	18.4
95.04965	8.2
95.08612	16.8
97.06522	4.6
97.10164	48.6
102.64034	2.1
102.85955	1.8
103.05463	27.0
105.03387	4.1
105.07029	36.4
107.04921	11.7
107.08598	28.1
109.06525	4.6
109.10143	12.3
111.08086	3.9
114.30956	1.9
115.05465	14.8
117.07019	55.1
119.08568	19.8
121.06477	4.9
121.10142	7.0
123.08079	3.5
123.11832	1.9
123.65688	2.1
125.09628	42.9
128.06212	7.9
128.11400	2.2
129.07004	28.7
131.04968	6.6
131.08560	46.0
133.06473	8.9
133.10118	10.0
135.08052	13.0
137.09648	3.3
141.06993	12.8
142.07736	2.8
143.04843	2.4
143.08565	21.3
143.10625	2.1
145.06480	20.8
145.10135	13.1
147.08011	5.5
148.51210	2.1
149.09589	6.9
153.09119	6.5
154.12659	2.2
155.08577	17.7
157.06483	7.0
157.10112	7.3
159.08064	3.5
159.11707	5.7
165.07030	3.7
165.09122	10.8
167.08577	6.7
169.10074	12.3
171.08031	4.4
171.10362	2.3
171.11717	8.9
173.09677	4.1
173.13188	3.3
181.10138	4.4
185.09618	5.1
185.13260	5.2
187.11221	2.8
187.14798	20.4
189.11201	30.4
189.12732	2.7
193.12321	3.0
195.11726	5.8
197.09654	4.1
197.13245	17.7
199.11176	2.6
209.13306	3.8
211.14835	2.1
213.12788	8.3
215.14305	100.0
222.17784	2.1
223.11273	4.6
225.16389	2.2
227.12715	28.2
227.14565	2.2
233.15355	3.5
237.12723	2.9
241.12169	5.3
241.15817	2.6
245.13815	4.1
251.14404	2.6
269.15414	2.5
271.16919	7.1
273.15024	3.0
321.22049	4.5
327.12152	4.5
331.20468	3.3
339.23230	5.4
349.21701	15.2
357.24237	3.8
367.22662	44.9
380.52463	2.1
385.23755	23.8
387.10086	2.5
395.25958	2.4
403.24805	6.4
423.25192	3.3
441.26349	61.5
442.26074	2.2
459.27405	76.6
460.27130	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01871	8.9
55.05515	31.9
55.99432	1.4
57.03424	4.3
57.93571	1.3
59.04990	2.0
65.03931	2.3
67.05504	30.6
69.03413	6.5
69.07060	12.8
69.31601	12.0
70.06593	3.5
71.04985	3.1
72.08134	1.4
77.03922	1.4
79.05491	34.3
81.03416	24.5
81.06596	2.1
81.07050	33.6
81.07777	1.5
83.04958	4.7
83.08619	14.3
84.04488	2.6
84.08127	4.1
85.02897	4.0
85.06552	1.9
86.09705	2.6
90.40571	1.2
91.05485	26.6
93.06493	1.9
93.07043	19.8
95.04964	18.5
95.08600	19.8
97.02869	2.7
97.06535	7.1
97.10164	24.8
103.05455	1.6
105.07028	19.4
107.04962	20.7
107.08604	19.8
109.02892	2.8
109.06512	6.7
109.10152	12.6
111.08054	4.2
115.05466	2.4
116.98476	7.6
117.07008	10.5
118.07278	1.3
119.04932	2.2
119.08582	13.7
121.06496	16.3
121.10131	10.1
123.04440	2.2
123.08057	6.0
123.11704	2.4
125.06007	2.3
125.09621	15.5
127.03883	3.0
128.06172	2.5
129.07034	10.0
130.04945	1.7
131.04912	6.1
131.08559	11.3
132.05759	1.2
133.06503	7.3
133.10114	8.7
134.95883	3.2
134.99463	1.4
135.04391	2.1
135.08038	6.0
135.11685	4.1
137.06003	1.7
137.09578	2.8
138.12627	1.2
139.07506	1.6
140.98370	1.3
141.06963	4.4
142.07813	2.1
143.08563	9.6
144.05661	2.3
145.01585	13.5
145.06480	28.0
145.10133	7.7
147.04416	2.6
147.08057	8.8
147.11713	7.5
148.97481	1.7
149.05968	1.3
149.09604	4.7
149.13264	1.6
149.94533	2.2
151.07536	1.4
152.96921	2.3
153.09114	5.4
155.08543	5.3
157.06494	4.2
157.10101	5.3
159.08066	5.6
159.11705	2.9
161.05998	4.7
161.09612	4.2
163.02635	4.7
163.11198	3.8
164.96883	2.4
165.09097	8.8
167.08582	4.2
169.06514	2.3
169.10115	4.5
171.08083	6.1
171.11702	4.5
173.05937	1.7
173.09651	3.8
173.13271	2.7
175.07571	2.7
175.11174	4.2
176.96942	8.8
177.12708	1.4
181.05154	2.1
181.10207	3.2
183.06802	3.6
183.08212	1.9
183.11719	2.6
185.09627	5.4
185.13202	2.6
187.11163	2.7
187.14940	2.9
188.96950	1.7
189.09274	2.5
189.11220	8.4
189.12721	2.7
193.05240	3.0
193.10374	2.3
193.12224	14.1
194.98000	1.3
195.06657	2.2
195.11676	4.6
197.09622	3.2
197.13242	4.5
199.11206	4.8
203.14394	1.5
205.12328	2.3
209.13307	2.2
211.06276	10.5
211.11308	3.0
211.13203	2.7
213.12794	1.8
215.14316	3.4
220.95850	2.3
223.11203	2.1
223.13211	2.5
225.12740	3.0
227.14291	2.6
229.16069	1.4
231.13753	3.2
233.15402	4.2
235.11124	1.6
237.12785	4.2
239.14374	3.0
241.12119	1.7
241.14330	1.3
255.13808	5.1
257.15549	1.8
259.13199	2.6
262.96948	3.8
271.16910	1.6
273.14810	19.1
287.16489	2.3
304.97784	1.9
311.16437	2.1
321.22070	2.4
339.23141	8.4
349.21597	17.9
357.24338	4.6
367.22659	42.1
368.22998	2.1
375.05862	2.5
385.23700	44.3
386.24051	1.6
391.05334	1.4
403.20135	1.5
403.24921	7.5
405.23959	3.6
423.25385	2.9
441.26358	8.5
442.25995	2.5
459.27383	100.0
460.27383	7.2
466.33954	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	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66618	2.2
53.03951	8.0
55.01849	11.6
55.05514	6.9
57.03445	8.7
61.02927	4.6
67.05508	10.2
68.99794	3.7
69.03426	47.0
69.03773	3.3
69.07063	15.1
70.06596	4.0
71.05003	5.1
71.51298	3.6
71.51673	2.2
72.08143	2.9
73.02930	10.4
76.71313	2.1
79.05502	9.2
81.03418	41.5
81.03876	3.6
81.07044	12.5
83.04983	2.8
83.08627	4.4
84.04511	3.8
84.08157	3.1
85.02902	72.4
85.06503	2.4
86.09719	3.9
86.88065	2.3
87.00826	27.0
91.05513	8.5
93.07030	14.7
93.10470	2.4
94.33485	2.2
95.04977	9.5
95.08607	14.9
95.49775	2.6
97.02879	24.8
97.06573	4.3
97.10185	2.9
99.04456	16.5
103.03966	2.6
105.01859	23.8
105.07050	8.4
107.04965	4.2
107.08594	12.9
109.02873	44.0
109.06534	8.7
109.10182	7.7
111.04436	2.9
112.97900	2.5
117.01911	4.0
119.08579	13.5
121.06525	7.4
121.10171	8.3
122.07323	5.9
123.08071	21.1
123.11767	3.8
125.09544	2.4
125.57977	2.4
127.03910	86.7
129.01840	4.5
131.08578	3.5
133.10181	10.3
135.08049	41.2
135.11690	5.5
137.09651	4.9
143.06189	2.1
145.04944	31.1
145.10088	5.5
147.11697	6.5
149.09593	5.9
149.13231	2.5
159.02867	33.5
159.11745	3.7
163.11130	3.2
163.14857	3.6
165.09090	15.0
165.12758	23.3
173.13347	3.4
175.14816	2.9
176.12048	3.6
177.12845	2.9
191.14301	100.0
193.15970	8.4
205.12450	3.5
207.13843	10.0
209.15372	13.1
213.03981	4.1
231.04945	19.2
287.16455	2.4
287.19681	2.8
353.59360	2.4
395.17053	3.9
413.17908	5.1
457.20618	36.2
457.26337	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	457.3678
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
52.04431	2.9
57.07073	4.3
57.70764	3.0
59.65309	3.0
60.94825	3.4
67.05493	6.5
69.07060	11.7
75.72950	3.1
78.58101	3.5
79.05482	4.0
81.07048	10.9
91.05482	7.9
93.07038	13.6
95.08598	25.3
98.21575	6.8
105.07035	7.0
107.08591	13.8
109.06519	4.0
109.10176	12.8
111.23162	3.4
119.08578	12.8
121.06511	68.7
121.10127	15.6
123.08087	15.5
123.11668	5.0
125.09702	4.0
131.08548	5.4
133.06517	5.2
133.10181	3.9
134.00876	3.1
135.08041	14.4
137.13271	4.0
139.07552	9.2
145.10091	6.8
147.08072	3.3
149.09644	20.9
157.10143	4.0
159.08020	11.0
159.11696	8.9
161.09595	17.0
173.09631	8.5
173.13271	6.1
187.11186	7.9
189.12747	15.3
197.13353	4.4
200.11932	10.2
201.12727	14.8
201.16467	3.4
215.18062	4.9
228.15080	8.0
243.17465	63.0
261.18506	100.0
262.18790	3.6
279.19516	3.4
329.24777	6.2
421.34662	5.9
439.35690	70.1
457.35776	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	459.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.2
56.05029	1.3
70.02948	5.1
70.06589	1.1
71.40862	1.7
72.08150	1.2
72.83308	0.7
74.72453	0.8
76.02241	1.0
76.03981	2.6
82.06630	0.9
83.06102	12.3
84.04502	36.9
84.08136	2.8
85.03980	0.8
86.09677	1.2
88.03983	1.4
99.05569	3.2
107.06074	2.6
109.07640	3.7
109.88839	0.8
110.05977	1.0
111.02666	1.0
112.03961	17.4
114.05534	0.9
123.02634	1.0
123.66818	0.7
127.02125	1.6
129.06595	19.1
129.10229	1.6
130.04999	81.2
131.01862	1.4
131.05006	0.7
135.04494	1.4
135.05527	3.1
137.05948	2.8
138.06325	0.9
139.02119	5.8
145.03441	1.6
145.06087	16.4
147.02638	17.0
149.00565	6.5
151.02144	4.1
151.06262	5.0
153.06567	11.9
154.04936	1.3
155.01605	38.5
155.08153	3.6
159.07677	1.6
165.03680	1.1
166.03281	1.2
167.01625	21.6
168.02376	5.3
169.03188	9.8
171.02568	1.2
175.02133	17.1
176.02412	0.8
179.04793	1.1
181.03204	1.7
181.06067	16.4
184.04248	7.7
186.05798	3.4
187.07022	1.0
189.03574	6.0
192.04767	1.1
193.03181	72.8
194.03452	1.1
199.07133	11.0
203.01598	1.6
210.05872	9.1
211.07219	1.5
213.03586	1.0
215.05135	1.0
220.04240	1.0
221.02650	1.3
222.62459	0.9
225.03593	2.8
227.04945	1.1
229.06659	1.3
239.03540	1.0
243.04790	1.3
255.04649	1.9
256.06647	1.2
256.09262	3.7
257.07574	2.8
273.09082	1.7
283.04312	1.4
295.07434	2.7
296.05869	17.7
296.09213	1.4
313.08484	22.7
330.11176	100.0
331.11343	3.9
343.75931	0.8
353.08246	2.4
366.11258	1.7
367.09351	1.5
384.12207	10.1
396.12155	1.5
397.84967	0.9
441.14386	20.8
442.14374	0.9
459.15427	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	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05431	1.3
52.58249	1.2
53.03943	2.3
53.89034	1.4
55.01857	3.0
55.05515	11.5
57.03425	2.1
57.07057	2.9
61.02917	1.3
67.00668	1.6
67.05500	19.3
69.03417	12.5
69.07066	15.6
70.06593	6.9
70.70833	5.3
71.04975	3.9
71.08637	1.6
72.08146	12.1
73.02905	1.5
73.90153	1.2
74.06057	1.7
79.05480	5.7
81.03394	5.0
81.07052	22.6
83.04974	11.4
83.08601	7.6
84.04498	3.6
84.08132	4.5
85.02892	12.5
85.06518	3.4
86.09705	17.7
87.00825	4.5
91.05479	6.2
93.07051	9.9
95.04962	4.0
95.08602	28.5
97.02893	3.2
97.06503	2.5
97.10178	1.9
99.08096	9.9
105.01874	1.5
105.07015	6.1
107.08592	23.0
109.02856	3.8
109.06505	7.2
109.10154	99.7
110.07155	2.1
110.10506	1.9
111.08070	2.7
113.09653	2.0
117.06985	1.9
119.08574	33.6
121.06485	3.8
121.10135	15.1
123.08061	13.9
123.11713	9.2
125.09605	3.0
127.03915	6.4
129.10239	2.0
130.04855	1.6
133.10130	18.2
135.11685	77.2
137.05963	3.7
137.09616	16.0
139.11133	2.1
145.02769	1.7
145.04964	2.2
146.11740	3.9
147.11647	1.7
149.13258	6.2
151.11192	10.2
151.14798	11.6
153.12750	2.4
159.02815	2.2
159.10036	1.4
165.16380	4.0
167.07088	1.8
168.02258	1.4
175.14821	40.1
177.05446	2.5
193.15874	50.8
194.16289	2.3
197.12933	2.6
211.16930	100.0
212.17203	3.1
215.14075	1.8
245.18648	3.5
296.19864	2.1
297.11353	1.9
315.34091	1.6
323.09070	3.4
367.22757	2.2
385.23804	3.2
394.92438	1.4
459.26907	3.7
460.17459	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	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05431	1.3
52.58249	1.2
53.03943	2.3
53.89034	1.4
55.01857	3.0
55.05515	11.5
57.03425	2.1
57.07057	2.9
61.02917	1.3
67.00668	1.6
67.05500	19.3
69.03417	12.5
69.07066	15.6
70.06593	6.9
70.70833	5.3
71.04975	3.9
71.08637	1.6
72.08146	12.1
73.02905	1.5
73.90153	1.2
74.06057	1.7
79.05480	5.7
81.03394	5.0
81.07052	22.6
83.04974	11.4
83.08601	7.6
84.04498	3.6
84.08132	4.5
85.02892	12.5
85.06518	3.4
86.09705	17.7
87.00825	4.5
91.05479	6.2
93.07051	9.9
95.04962	4.0
95.08602	28.5
97.02893	3.2
97.06503	2.5
97.10178	1.9
99.08096	9.9
105.01874	1.5
105.07015	6.1
107.08592	23.0
109.02856	3.8
109.06505	7.2
109.10154	99.7
110.07155	2.1
110.10506	1.9
111.08070	2.7
113.09653	2.0
117.06985	1.9
119.08574	33.6
121.06485	3.8
121.10135	15.1
123.08061	13.9
123.11713	9.2
125.09605	3.0
127.03915	6.4
129.10239	2.0
130.04855	1.6
133.10130	18.2
135.11685	77.2
137.05963	3.7
137.09616	16.0
139.11133	2.1
145.02769	1.7
145.04964	2.2
146.11740	3.9
147.11647	1.7
149.13258	6.2
151.11192	10.2
151.14798	11.6
153.12750	2.4
159.02815	2.2
159.10036	1.4
165.16380	4.0
167.07088	1.8
168.02258	1.4
175.14821	40.1
177.05446	2.5
193.15874	50.8
194.16289	2.3
197.12933	2.6
211.16930	100.0
212.17203	3.1
215.14075	1.8
245.18648	3.5
296.19864	2.1
297.11353	1.9
315.34091	1.6
323.09070	3.4
367.22757	2.2
385.23804	3.2
394.92438	1.4
459.26907	3.7
460.17459	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	457.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
56.05025	1.3
69.04381	0.8
69.67374	4.6
70.06588	4.2
70.60792	0.9
74.21286	0.8
74.51884	1.0
76.02213	2.8
78.21509	0.8
82.44332	0.8
83.06089	2.6
84.04507	19.1
84.08122	2.2
85.04028	1.5
86.06085	1.0
98.21487	2.0
99.05577	8.3
104.04891	0.9
107.06067	2.8
109.07632	0.8
110.07202	4.2
122.06031	7.3
127.05083	1.5
127.11417	0.9
129.06578	2.0
130.04997	5.3
131.04482	2.0
132.04399	1.5
134.05986	1.8
135.05507	1.2
138.05470	1.1
145.06052	7.8
148.03920	2.1
149.04723	9.5
150.05498	52.8
151.06281	41.1
152.07121	4.7
153.06589	12.0
154.03210	6.5
155.08104	1.6
162.02126	0.9
164.01654	6.3
166.03197	1.9
173.07278	0.9
174.05515	1.1
175.06288	1.3
177.03268	2.9
179.04706	1.0
181.04314	2.9
181.06062	3.6
182.02699	100.0
183.03033	1.8
184.04263	35.0
185.03761	1.4
190.03259	1.0
192.04895	1.3
194.02655	2.8
199.07126	12.5
207.05923	6.5
208.02336	1.6
208.04266	15.8
228.66452	0.9
231.04349	2.5
233.05864	2.8
236.03755	8.4
244.08667	1.0
256.09302	3.1
271.07678	0.9
272.65344	0.8
274.10202	2.5
300.07507	1.6
308.09277	1.0
310.08603	6.5
311.06378	1.0
328.09604	50.4
382.10547	3.0
424.47778	1.0
439.12537	1.5
457.13712	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	457.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
55.05508	3.1
56.05029	3.5
56.96562	11.4
59.73721	2.2
63.67265	2.2
67.05478	3.7
69.07066	5.6
69.23730	23.0
70.06589	32.1
72.08144	10.5
73.02916	2.8
74.06073	3.4
79.05498	3.6
81.03424	4.9
81.07035	3.4
84.04496	9.3
84.08143	14.4
84.96049	2.4
85.02888	7.2
86.09706	38.8
91.04018	2.5
91.05481	5.8
93.07024	4.4
95.04941	3.9
95.08575	2.8
97.02886	5.0
98.97575	26.5
103.05482	3.4
105.07009	3.0
107.04939	2.8
107.08632	2.3
109.02863	2.2
109.52696	2.6
110.07182	4.7
111.27142	2.1
112.99167	2.6
116.07069	4.0
116.98604	13.9
119.04820	2.4
120.08102	7.1
127.03898	5.1
128.10690	2.9
129.06699	2.5
129.10242	5.8
130.05022	3.2
130.08618	2.9
131.00166	5.5
133.10187	3.5
134.99654	6.7
137.05968	3.7
147.04460	2.6
149.06017	3.9
158.99631	9.1
159.03276	2.7
177.00764	15.1
183.11140	2.6
183.14682	2.4
191.02237	3.2
209.08275	4.0
209.15369	3.7
219.01788	6.1
227.09550	3.8
251.09535	10.5
285.19583	2.8
293.10501	6.2
305.10773	3.6
353.12784	3.6
371.13776	20.2
413.15198	22.8
457.14618	100.0
457.24426	10.9
457.31393	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	457.1115
Annotation	FMN
Peak:m/z	Relative Intensity
53.03998	4.1
55.01898	1.4
55.05555	1.0
56.05069	1.1
57.03485	7.6
57.05854	0.7
59.05003	5.3
60.04580	1.1
61.02983	0.9
67.05527	0.8
68.05060	0.7
69.03427	15.9
69.07117	0.8
70.02982	0.6
70.06243	1.0
70.06589	24.5
71.04991	8.8
71.06992	1.2
71.59309	0.8
71.59694	0.7
72.08153	9.3
73.02978	4.3
73.08537	0.6
74.06121	1.3
79.05556	0.8
81.02979	1.0
81.03413	23.1
83.06178	1.0
84.04504	5.5
84.08138	10.0
85.02978	2.1
86.09698	20.1
87.04540	1.4
87.09297	1.3
87.10056	0.9
88.04057	1.1
91.05543	1.6
93.07082	0.7
95.05016	0.8
97.02974	0.8
98.97863	1.1
98.98460	19.0
99.04456	11.8
102.05593	1.3
107.05032	0.8
107.08674	0.7
109.02955	0.8
110.07176	3.9
116.07083	3.9
116.99561	1.2
117.03463	0.8
117.05478	9.8
118.06590	0.9
119.04941	0.6
120.07412	0.9
120.08081	3.0
129.10226	7.3
130.05064	1.3
135.04478	1.0
135.08162	1.7
136.07661	2.4
137.06073	1.2
140.99654	1.2
145.07578	3.5
147.08170	0.7
147.09244	2.6
148.89571	0.6
150.05583	1.4
151.16650	0.6
152.07047	1.2
154.08778	0.7
157.07713	1.4
159.09180	6.2
163.04019	1.2
169.13519	1.1
170.07162	1.5
171.07817	0.8
171.09198	1.3
172.08679	28.0
173.07103	5.7
173.09271	1.2
175.08614	3.3
177.05602	1.9
182.02795	1.0
183.09253	0.9
184.08665	1.3
184.10190	1.0
185.10863	1.4
185.16585	1.6
186.10382	2.0
190.09880	2.0
197.09377	0.8
197.10924	1.7
198.06641	6.6
198.08415	0.6
198.10263	3.2
199.12424	1.3
199.18141	1.2
200.08299	2.6
209.10959	0.8
210.10300	1.0
212.11885	0.9
213.08548	0.8
213.12482	1.5
213.16017	1.2
214.09895	3.0
215.13908	0.8
216.07675	20.6
218.09377	2.6
219.07571	3.2
224.12015	2.8
225.10275	0.7
226.09732	0.8
227.10445	2.7
229.08458	3.3
230.88216	0.7
231.09793	3.1
235.75131	0.8
243.08755	55.0
244.07213	2.1
244.09222	1.7
252.11482	1.7
260.10379	0.8
262.18173	1.1
270.12396	1.0
281.10510	0.7
285.09824	1.6
297.09949	1.5
298.11740	0.8
307.08524	1.2
316.12924	1.6
323.11508	2.4
328.09604	0.7
334.09738	1.5
334.14157	1.0
337.07608	1.4
341.12491	10.3
342.20270	1.0
351.07574	1.1
359.13461	47.5
360.13831	1.7
377.14459	5.1
396.09549	8.7
397.08090	2.5
403.08197	1.1
414.10574	12.9
415.10495	1.0
421.09109	9.2
439.10114	100.0
440.10397	4.3
457.11151	34.9
457.16168	1.3
458.11273	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	456.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20158	0.4
55.05285	0.3
55.05516	3.0
56.05033	1.9
57.03428	1.8
57.28713	0.4
67.05502	1.4
68.05011	0.6
69.03413	0.9
69.07063	1.5
70.02915	0.5
70.06590	25.0
71.06931	0.7
71.51820	0.5
72.08149	10.7
73.02914	0.8
74.06074	1.0
79.05505	0.7
81.03411	0.6
81.07059	1.0
82.54178	0.4
83.01822	0.4
83.06107	1.9
83.08660	0.7
84.04500	4.1
84.08146	7.5
85.02891	1.2
86.09702	15.9
87.05625	1.1
87.10023	0.8
88.03983	0.6
91.05470	2.4
93.07031	0.9
94.17624	0.4
95.04951	0.6
95.08615	1.0
96.04489	0.5
96.08129	0.5
97.02883	0.9
101.07135	1.2
102.05546	0.9
103.05455	1.1
107.04944	1.1
109.02897	0.6
109.06487	0.6
109.10148	0.5
110.07180	3.3
112.08754	0.8
113.07188	0.5
115.05479	0.4
115.08675	0.4
116.07078	3.5
117.03386	0.6
119.04922	1.7
120.08096	5.6
121.06516	0.8
123.04424	1.4
127.03836	0.6
127.08665	1.1
127.11190	3.2
127.48457	0.4
129.06604	0.5
129.10237	4.1
130.08615	0.7
131.04926	1.4
131.08545	0.8
131.11826	1.3
132.07973	0.5
133.10155	1.5
135.04391	0.6
136.07532	2.4
137.05971	2.8
141.10226	0.7
143.04884	0.8
143.11801	0.9
145.02823	0.7
145.06512	1.1
145.12256	0.5
147.04411	1.5
149.05945	2.1
150.05481	0.5
152.07072	1.3
152.10611	0.7
155.08189	1.6
157.06483	1.0
160.05197	0.5
160.07610	0.9
161.06026	2.4
162.05470	3.2
162.06583	0.4
163.03883	0.5
163.07510	1.1
164.07051	13.0
166.08636	0.8
169.09702	0.5
169.13400	1.5
173.05981	3.0
175.07510	1.4
176.07071	1.8
177.05426	2.0
177.07841	25.5
178.08624	2.2
183.11298	0.6
183.14963	1.5
184.07278	0.6
187.07436	0.7
187.14407	0.5
190.08571	2.2
191.14279	0.7
196.14488	0.8
197.12865	1.7
201.12462	0.7
203.09499	0.5
204.10204	0.6
211.14456	1.0
213.12387	0.5
214.15550	0.9
215.13956	1.3
226.11922	0.6
226.15700	0.4
228.13345	0.8
229.15450	0.8
232.13318	0.5
242.15030	3.2
243.13623	0.6
274.18027	12.2
275.18356	0.6
284.16669	0.5
286.17456	0.6
302.17471	17.0
303.17667	0.8
303.96695	0.5
320.18555	25.4
321.18781	0.7
341.21823	1.7
364.21152	0.5
376.21307	3.1
394.22223	100.0
395.22604	4.2
420.23840	0.7
438.24857	37.4
439.25256	1.9
456.25879	4.1
457.16434	0.6
457.25903	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	455.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29473	1.0
53.03947	1.6
55.01866	1.0
55.05511	14.0
55.49377	1.0
57.03432	12.2
57.37036	0.8
65.03938	1.3
67.05504	56.9
69.07066	12.5
71.05003	1.3
71.32252	2.1
76.72708	0.9
78.08224	1.0
79.05490	27.3
81.07053	44.3
83.04987	1.6
83.08627	5.1
85.06553	1.2
85.53967	0.9
91.05475	14.3
93.07044	30.5
95.04980	3.7
95.07983	1.7
95.08605	34.2
97.06527	1.7
105.07031	9.7
107.08590	13.1
109.06513	1.5
109.10148	12.7
117.07005	2.2
119.08562	6.2
120.96635	72.6
121.10153	10.0
123.11734	2.9
131.08577	3.9
133.10135	4.1
135.11740	4.8
138.97672	1.9
145.10103	1.9
147.11641	2.8
149.13254	3.1
156.97464	5.7
159.11671	1.6
161.13248	1.8
161.99307	2.4
163.14821	1.5
173.13316	1.4
174.98560	8.6
184.77280	0.9
195.00357	7.2
207.88655	1.0
213.00102	8.5
216.84161	1.0
231.01205	2.6
301.20114	1.4
319.21335	2.9
335.25787	100.0
336.26163	5.1
357.23981	39.5
358.24384	1.6
437.19775	2.6
455.21622	51.8
456.21753	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	454.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01868	7.9
55.05505	8.6
57.03435	12.1
57.07068	3.1
61.02925	7.5
67.05513	6.3
68.99774	2.7
69.03426	36.3
69.04601	1.3
69.07050	3.9
69.54775	6.8
69.55192	3.5
70.06573	4.9
71.04996	19.7
71.08630	24.3
73.02905	8.5
79.84287	1.2
81.03414	33.8
81.07041	4.0
82.06569	1.4
83.04987	1.5
83.08617	10.5
84.04489	1.2
84.08150	1.9
85.02902	94.2
85.06519	1.7
86.09693	2.7
87.00826	43.8
87.04440	1.3
91.03941	2.4
91.05448	1.7
95.08601	3.1
97.02890	38.9
98.20792	1.5
99.04447	15.1
99.08088	38.0
100.07607	1.5
100.11265	15.9
103.19221	1.3
105.01859	49.1
109.02880	36.5
109.10149	37.5
111.04423	4.0
114.51147	1.2
116.49405	1.3
117.01867	4.5
121.06468	1.4
125.02380	2.1
127.03912	76.1
127.11179	18.3
128.07124	1.5
128.57513	1.3
129.01871	2.6
129.10228	1.6
136.07590	2.0
142.08833	1.3
145.04958	29.8
145.12234	100.0
147.02849	3.5
149.55055	1.4
153.12762	3.9
159.02893	18.4
167.14357	1.9
171.13800	14.1
177.05461	2.3
182.15382	15.7
189.03867	2.0
189.14848	23.1
207.06560	1.5
209.16455	4.4
210.14883	16.0
210.16801	2.0
211.13284	3.1
211.15102	1.6
213.03925	4.4
227.17444	1.8
231.04980	17.3
235.13344	5.7
245.37746	1.3
249.06000	4.2
253.14285	2.5
255.11008	1.3
255.16100	1.7
276.72754	2.0
339.14328	3.5
343.30768	1.8
357.15512	7.4
375.16461	4.8
436.31836	2.6
454.33185	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	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.50317	0.4
55.05507	2.5
57.03433	4.4
57.07075	20.8
62.06089	25.1
67.05511	4.9
68.21986	0.5
69.07072	3.7
70.71857	1.3
71.08630	13.9
72.70576	0.5
81.07058	5.8
83.05006	0.5
83.08626	4.2
85.09667	0.6
85.10178	7.1
89.06000	0.9
95.08606	7.2
97.10163	2.1
98.98460	6.6
103.07528	0.6
109.10168	3.6
111.11716	0.6
119.45808	0.4
120.70387	0.6
122.16751	0.5
123.11693	1.5
124.01590	1.4
128.45068	0.4
137.13280	0.8
142.02640	1.1
155.01042	5.7
159.81712	0.5
173.02122	0.8
181.93024	0.6
182.58830	0.5
198.05298	1.2
216.06326	2.1
239.23618	2.3
247.38376	0.5
282.27921	11.6
311.24158	0.5
313.27362	100.0
314.27734	3.5
393.24020	5.4
436.28256	1.6
454.29187	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	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.42477	0.5
55.05521	3.8
57.03442	8.7
57.06800	1.2
57.07075	24.1
61.31684	0.5
61.88893	0.5
67.05502	7.3
69.07066	5.0
69.60038	2.8
69.60468	1.6
71.08244	1.2
71.08628	18.6
79.05490	1.4
81.07051	8.6
83.08617	6.3
85.06529	0.6
85.10182	9.1
89.06018	1.3
91.05473	0.7
93.07022	1.3
95.08602	11.5
95.10683	0.6
96.86614	0.6
97.10156	2.1
98.21513	0.7
98.86661	0.5
99.72251	0.6
103.07565	1.6
105.07057	1.0
107.08597	1.1
109.10150	5.0
111.11733	0.8
120.96671	0.6
123.11706	2.0
172.11777	0.6
189.16397	0.7
239.23712	1.8
252.52100	0.6
257.24673	1.4
277.76950	0.7
282.27887	6.9
313.27353	100.0
314.27698	3.6
335.25732	0.8
454.34311	0.9
455.21466	1.7
457.11749	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	454.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18269	0.9
55.05499	3.1
57.07072	37.2
69.07055	2.9
69.28672	10.5
70.27924	1.0
71.08631	27.0
73.06561	5.9
74.56693	0.9
81.07063	2.0
83.08592	3.4
85.10184	20.0
87.04453	2.4
88.57626	1.0
89.06027	100.0
94.84096	1.0
95.08601	2.2
97.10142	3.0
98.20741	1.7
99.11755	4.8
100.11269	1.0
105.07000	1.3
107.07057	4.3
107.08582	1.6
107.20373	1.0
109.10127	0.9
111.11686	1.2
113.13286	2.4
117.09134	2.6
121.06466	1.4
121.10131	2.4
123.11711	1.1
130.08621	4.3
131.39111	1.1
133.08600	45.3
151.09618	1.3
155.17947	4.1
159.08017	1.4
161.31380	1.0
165.02354	1.0
177.11224	18.3
179.43135	1.2
187.11189	1.2
195.12297	2.2
199.20529	3.7
214.18945	1.0
221.13773	1.6
239.14818	3.1
243.17392	2.2
243.23189	9.7
283.17477	12.1
287.25803	3.7
371.64084	1.1
393.31735	1.3
396.18213	1.2
437.34763	14.6
454.33847	2.0
455.35196	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	455.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39902	0.9
55.71634	0.9
70.65134	3.2
94.93015	2.5
112.89626	2.1
113.46412	0.8
128.08618	1.0
180.01140	1.3
202.89037	1.8
204.88892	1.6
253.93182	1.1
306.90302	1.2
455.11606	100.0
469.25714	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	455.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24392	0.3
55.01858	0.5
60.04521	0.5
66.63301	0.3
69.03423	0.4
70.06596	3.4
70.73074	1.3
72.08138	1.0
74.00638	1.1
76.02219	0.8
79.54200	0.3
80.05059	0.4
83.06103	1.7
84.04502	6.7
84.08134	1.1
85.02895	0.5
85.04010	1.0
86.09709	0.6
93.34371	0.3
97.01095	0.3
99.05499	0.4
100.48001	0.3
101.07133	0.4
108.04479	2.0
110.07134	1.2
116.07124	0.4
120.04443	1.3
120.08091	1.0
124.02152	1.3
129.06589	2.4
129.10248	0.6
130.05011	2.8
131.04570	0.6
135.04330	0.4
136.03906	0.7
136.07573	0.7
137.05812	0.3
145.02852	0.4
147.07635	0.8
148.03929	8.2
149.04739	1.9
150.05496	1.9
152.01651	11.3
153.06544	0.5
156.07735	0.5
160.02164	1.2
160.57571	0.3
162.02243	0.4
162.05437	0.6
163.03926	0.6
174.96783	0.4
177.03270	2.0
177.05499	0.4
179.04910	0.7
180.01135	100.0
181.01469	2.2
182.02652	0.8
188.01625	2.9
189.66974	0.3
199.07141	1.0
206.02701	11.1
206.25400	0.3
207.03001	0.6
213.12253	0.4
223.05370	3.4
229.09705	0.5
231.04225	0.4
233.05682	0.4
234.02312	1.0
253.47618	0.4
256.08377	0.4
274.10767	0.6
275.10870	1.0
289.06375	1.1
301.11923	0.6
309.05502	0.5
317.05811	0.4
326.08011	9.0
380.09128	6.6
396.17572	0.3
415.58594	0.4
420.12271	0.9
438.09665	0.4
455.12573	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	454.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05506	4.0
56.05037	3.1
57.07080	1.0
58.06596	2.2
59.04986	2.1
60.04519	2.9
67.05502	2.1
69.03412	2.6
69.07059	3.4
69.28616	4.3
69.29051	4.3
70.06590	21.1
71.04985	16.0
72.08146	9.7
73.06550	4.7
74.06062	2.0
79.05492	4.9
81.03448	1.7
81.07052	20.8
83.08558	1.0
84.04486	5.8
84.08142	13.9
85.02905	4.8
86.09698	12.4
87.00840	1.7
91.05477	6.4
93.07043	12.8
94.06518	1.2
95.04962	1.7
95.08619	3.0
97.02890	1.0
97.06516	1.6
101.07114	1.0
102.05555	1.7
105.01875	4.2
107.04969	1.6
107.08604	10.3
108.04528	1.0
109.10121	2.3
110.07167	3.7
116.07092	1.9
119.04954	1.8
120.08108	5.0
122.86140	1.0
123.04461	3.0
127.03918	3.3
127.08681	1.6
129.10226	8.1
130.04958	1.2
132.10178	1.6
135.04420	1.2
135.11694	20.4
136.06592	1.3
136.07562	9.3
137.06020	1.9
145.02824	1.1
145.04955	1.8
145.06216	0.8
147.04359	1.8
148.07564	1.0
152.07066	3.0
153.12735	100.0
154.13098	2.2
164.07094	2.6
165.07916	5.2
175.03992	1.1
177.05492	3.6
178.08632	1.2
180.01047	1.1
183.89867	1.0
184.07433	1.2
186.09048	1.1
188.07152	1.3
189.05461	1.2
196.04222	0.9
213.05490	2.4
214.08693	1.4
242.08157	1.1
256.09732	3.3
262.14307	5.2
284.09146	14.4
285.09570	1.8
286.10681	3.1
409.02841	0.9
422.13736	2.4
433.97571	1.0
436.13901	28.3
437.14346	2.4
454.16501	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	452.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05508	13.4
57.03430	8.1
57.07074	5.4
67.05500	10.8
69.07063	19.9
69.84579	2.6
71.04971	0.6
71.08636	3.2
75.52085	0.5
79.05489	5.0
81.06602	0.7
81.07051	12.1
83.08617	12.8
85.06524	0.9
85.10163	1.1
91.05483	1.1
93.06488	0.6
93.07040	7.2
95.08607	9.2
97.06552	2.4
97.10159	7.5
98.20912	0.7
98.98447	0.5
104.10730	1.0
107.08583	4.0
109.10175	2.9
111.08052	1.6
111.11720	1.4
112.28091	0.4
121.10139	5.8
123.11688	1.6
125.09609	0.6
135.11688	4.6
137.13260	1.4
149.13252	1.9
153.12749	0.4
154.94182	0.8
155.01031	0.4
163.14772	1.2
172.95277	2.4
190.96266	1.5
200.57126	0.5
219.21037	0.5
228.97894	1.1
237.22107	1.2
280.26315	2.7
311.25781	100.0
312.26172	5.2
317.17896	1.2
340.39474	0.5
343.40546	0.5
453.17465	0.8
469.85394	0.4
471.18079	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	452.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63361	2.2
51.37749	2.0
53.03933	4.7
55.05507	28.5
57.07065	14.7
65.03934	2.6
65.36256	1.9
67.05505	32.9
69.03434	15.2
69.07066	81.7
69.13952	2.0
70.06590	7.5
71.08614	7.6
71.10506	4.6
79.05488	19.5
81.03420	2.5
81.07055	100.0
82.07378	2.6
83.08616	38.8
84.04517	10.2
84.21437	2.1
85.02893	2.3
85.06516	5.0
86.09700	5.1
91.05478	19.3
92.04617	2.2
93.07036	34.7
95.04968	5.2
95.08608	73.5
97.10158	11.5
102.05585	3.0
105.07030	47.4
106.07362	3.7
107.08589	53.5
109.06504	7.9
109.10159	55.2
110.07150	2.9
110.27193	2.3
111.08076	3.2
111.11715	8.4
117.06979	3.6
119.08572	34.7
120.08877	3.3
121.06498	8.3
121.10146	69.3
123.08047	5.3
123.11710	40.3
128.06206	2.7
130.05013	9.9
131.08565	11.5
133.06432	2.2
133.10123	56.6
135.08043	3.4
135.11684	20.7
135.12613	3.0
137.05978	2.4
137.13243	24.0
139.11191	5.6
143.08521	6.4
145.10123	8.4
147.08032	15.4
147.11670	24.9
148.05998	6.0
148.12022	2.5
149.09631	14.4
149.13268	19.1
151.11205	4.8
157.10097	5.0
159.11685	8.4
161.09615	63.8
161.13248	11.4
162.09969	2.7
163.11169	12.8
163.14861	10.0
165.09067	7.8
167.10684	15.6
171.11745	3.1
173.13235	4.7
175.11176	9.5
175.14801	10.1
177.12715	3.4
177.16356	7.5
179.10683	26.4
179.18033	3.2
181.12230	22.8
189.12743	2.5
189.16360	6.8
191.17854	3.9
193.12227	9.1
195.13885	3.8
201.16367	2.7
203.14212	2.5
203.17917	5.2
204.18359	2.6
205.19608	2.6
207.13828	2.2
213.16397	3.4
217.15768	3.3
219.17473	3.1
231.17448	5.2
235.16907	3.0
245.22638	3.7
259.24231	8.6
269.22635	6.9
287.23706	19.3
305.24701	30.0
372.30789	2.3
452.29861	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	453.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71732	0.1
55.05502	0.4
55.31464	0.2
56.05022	0.4
60.04515	0.2
67.05508	0.2
69.07066	0.2
70.06593	2.6
71.06895	0.2
71.55121	0.2
72.08138	0.8
74.06075	0.3
79.05492	0.2
81.03415	0.3
81.07062	0.4
83.04999	0.2
83.28742	0.2
84.04502	0.5
84.07713	0.2
84.08135	1.2
85.02879	0.4
85.06592	0.2
86.09706	1.9
87.00929	0.2
87.10101	0.2
90.67355	0.2
91.05476	0.7
93.07034	0.3
95.04966	0.3
95.08586	0.3
97.02892	0.2
100.11264	0.8
103.11523	0.2
105.07014	0.3
107.04955	0.3
107.08585	0.4
108.52584	0.2
109.02880	0.2
110.07143	0.7
111.04426	0.3
119.01938	0.2
119.04977	0.2
120.08109	2.1
121.08457	0.2
127.03880	0.2
129.10251	0.6
136.07509	0.3
137.05963	0.5
143.03070	0.4
149.05983	0.2
152.07071	0.4
159.09196	0.2
167.07005	0.3
167.96829	0.2
185.04247	0.3
188.07161	0.3
203.05260	4.1
209.16493	0.2
210.14853	0.3
211.13239	0.2
221.12885	0.5
229.11981	3.4
231.09923	0.5
245.11438	0.3
247.13162	0.4
257.70163	0.2
273.10928	1.0
291.12015	20.5
292.12433	0.5
316.10092	0.2
357.20871	0.2
378.78040	0.2
380.20068	0.2
409.18301	2.0
425.18204	0.2
435.33200	0.4
453.17294	100.0
454.17645	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	454.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01868	8.5
55.05501	9.5
56.05032	3.4
57.03418	13.2
57.07067	3.4
57.75922	3.0
60.04517	3.4
61.02922	5.1
66.98161	2.9
67.05499	14.6
68.99755	3.6
69.03430	34.0
69.07057	10.0
69.74071	8.0
69.74498	10.8
70.06258	3.3
70.06592	34.5
71.04999	22.2
71.08624	25.8
72.08154	7.8
73.02921	4.5
81.03419	24.1
81.07045	7.0
83.05023	3.8
83.08620	7.8
83.85086	2.9
84.04507	6.3
84.08141	20.5
85.02908	85.9
86.09702	28.9
87.00825	33.9
88.30716	3.1
91.03941	4.4
91.05466	10.5
93.07018	3.8
95.04941	3.3
95.08601	2.9
97.02892	31.3
98.21526	3.4
99.04447	9.0
99.07597	3.0
99.08112	33.9
100.11257	3.5
101.31545	2.8
105.01868	35.4
107.04962	6.1
109.02874	24.9
109.10163	51.8
110.07124	5.0
116.07087	11.9
117.03408	3.4
120.08085	9.1
127.03916	48.4
127.11166	8.8
129.06836	2.6
129.10222	6.8
131.04918	5.7
137.05905	7.8
145.04962	18.8
145.12241	100.0
152.07056	5.8
153.12669	4.9
159.02882	7.9
171.13766	16.6
177.05449	5.2
184.07298	3.4
189.14865	25.0
213.04109	3.5
218.06293	3.2
231.04984	12.7
283.10782	5.9
339.14343	4.9
343.12869	3.3
357.21780	3.1
380.53183	2.9
454.19177	12.1
454.34262	3.5
455.18604	12.9
468.21539	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	454.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.01868	8.2
55.05502	5.7
56.05032	3.9
57.03428	12.1
57.07065	4.1
61.02923	5.7
62.07078	2.7
67.05487	10.4
69.03430	34.3
69.07055	11.1
69.34550	2.9
70.06585	40.5
71.05000	20.9
71.08636	20.4
71.51482	5.6
72.08143	9.5
73.02915	5.7
76.02200	2.7
79.05505	4.1
81.03400	26.2
81.07063	9.3
82.82659	2.8
83.08630	9.0
84.04505	7.0
84.08153	20.1
85.02900	75.9
86.09705	29.9
86.40950	3.0
87.00828	35.1
91.05461	7.1
93.07053	4.1
95.08611	5.5
97.02893	23.8
99.04457	11.0
99.08099	29.8
100.11269	8.1
105.01864	36.4
105.07034	3.8
107.04958	3.2
107.08583	3.3
109.02874	26.2
109.09409	4.2
109.10143	40.9
110.07168	4.5
113.77393	2.9
116.07076	21.0
120.08099	11.0
124.99952	4.7
127.03905	47.3
127.11194	8.9
128.26057	2.4
129.10223	4.2
131.04904	2.9
137.06013	8.4
139.08586	3.2
140.73131	2.8
145.02913	3.0
145.04956	18.5
145.11082	5.0
145.12227	100.0
147.04369	3.9
153.12709	3.4
159.02930	5.9
171.13805	26.1
177.05380	6.2
180.01271	3.9
182.15439	3.3
184.07388	17.3
189.14845	26.4
210.14832	3.2
213.03886	6.7
231.05014	10.8
235.13403	4.7
331.14337	2.9
343.12500	4.2
357.15549	6.1
454.19434	14.2
454.26614	4.4
454.34467	8.1
455.18970	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	452.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35533	2.8
53.03942	8.9
55.01870	4.7
55.05501	7.7
57.03424	3.4
61.02913	4.2
67.05499	7.9
68.99772	5.2
69.03425	28.2
69.07061	8.5
70.06598	25.5
70.11035	11.7
71.04989	13.1
71.08621	14.3
72.08150	10.7
73.02904	4.8
79.05480	7.1
81.03426	21.3
81.07054	42.5
84.04488	9.1
84.08125	11.2
85.02903	66.7
85.06534	3.5
86.09704	24.8
87.00829	27.5
88.98633	2.0
91.05487	12.6
93.07030	8.2
95.04953	4.8
95.08602	8.7
97.02901	28.1
97.06531	4.2
99.04461	11.2
99.08081	12.8
105.01870	41.2
105.07011	9.8
107.08597	4.9
109.02882	33.9
109.10146	11.7
110.07167	7.5
117.07016	3.3
119.08600	5.0
120.08109	10.4
121.08426	2.9
123.11687	2.5
124.07603	2.5
127.03918	60.7
129.10236	7.3
133.10175	9.3
136.07567	5.1
137.06010	9.5
141.12737	78.4
145.04950	17.0
151.11194	3.1
159.02908	8.1
159.09247	2.7
169.12245	100.0
184.07352	8.2
187.13268	11.6
189.03897	2.6
192.61867	2.6
213.03931	7.1
231.05000	17.7
238.09775	2.8
249.06108	3.5
257.71497	2.3
287.08939	6.0
295.15219	4.0
323.32025	2.7
334.68979	2.4
452.17188	2.9
452.26834	15.1
453.25653	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	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
56.05021	0.9
57.26783	0.2
60.04516	0.3
67.05495	0.5
69.03420	0.5
69.07064	0.6
70.06591	4.1
70.76802	0.6
72.08159	1.1
74.06075	1.3
79.05489	0.3
81.03411	0.5
81.07069	0.4
83.06107	0.2
83.08611	0.4
84.04496	0.8
84.08149	1.6
85.02899	0.5
86.09702	23.8
87.05600	0.2
87.10026	0.4
88.03981	0.8
91.05465	1.4
93.07053	1.8
95.04969	0.6
95.08575	0.4
97.02892	0.4
103.05462	3.9
105.07037	0.4
107.04955	0.6
110.07159	1.1
118.06699	0.2
119.04909	0.3
120.08099	100.0
121.08444	2.8
123.04447	0.2
127.03871	0.3
129.10255	1.0
130.04974	0.3
130.06516	0.6
132.08072	0.3
132.10181	1.2
133.10074	0.2
135.04390	0.2
136.07530	0.4
137.05975	0.9
140.52852	0.2
141.10211	0.3
143.11792	11.8
144.08035	0.3
147.04361	0.2
153.01817	0.4
155.08194	0.3
158.09706	0.3
159.09186	0.2
164.07133	0.4
166.08562	0.4
169.13356	0.2
171.11290	3.7
173.13377	0.2
174.00810	0.2
177.10225	1.9
187.14656	0.2
191.11736	0.3
197.13013	0.2
201.12332	0.4
205.09698	0.9
211.07498	0.2
215.13870	0.4
219.11507	0.3
221.12794	0.6
229.11787	0.2
233.14844	0.4
235.10844	0.4
243.14894	0.2
245.16856	0.3
247.12933	0.6
249.12285	0.3
263.10251	0.5
273.15961	1.5
281.11298	16.7
282.11646	0.7
287.05420	0.3
289.06924	0.3
318.18066	1.2
320.12402	0.5
320.16037	0.2
433.20712	1.0
452.26553	1.3
469.93051	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57089	0.3
55.01874	0.4
55.05501	1.0
56.05026	1.2
60.04512	0.8
67.05481	1.0
69.03427	1.1
69.07057	2.5
69.50734	0.3
70.02936	0.5
70.06207	0.7
70.06590	13.4
70.67254	0.8
71.04987	0.4
71.06914	0.8
72.08159	3.1
73.02890	0.4
73.08464	0.5
74.06083	2.1
79.05495	0.8
81.03425	1.0
81.07061	1.0
83.08595	0.4
84.04488	2.1
84.08143	4.5
85.02896	1.3
85.04015	0.5
86.06053	0.4
86.09704	27.6
87.05589	0.4
87.10030	1.0
88.03986	5.7
89.03905	0.5
91.05476	2.4
93.07033	1.1
95.04975	0.7
95.08589	0.5
96.08178	0.3
97.02898	0.8
97.06509	0.4
98.02435	0.7
101.07129	0.9
102.05531	0.5
103.05465	2.7
104.10743	0.5
105.07028	1.1
107.04987	0.5
109.02885	0.4
110.02394	1.5
110.06038	0.7
110.07172	2.2
110.07780	0.3
112.08698	0.7
113.10762	1.1
115.08685	0.4
116.07114	0.5
117.03393	0.7
117.55290	0.3
118.06843	0.5
119.04931	0.7
120.08099	100.0
121.06527	0.4
121.08440	2.2
121.10123	0.4
122.09660	0.4
123.04511	0.5
124.03928	0.4
124.54698	0.3
127.03927	4.1
127.08688	0.5
129.10228	2.3
130.06526	0.3
130.08551	0.3
132.08119	0.7
132.10191	7.6
135.04445	1.3
136.07600	1.8
137.05974	0.8
138.09146	0.9
141.10210	3.1
143.11821	0.4
145.02866	1.4
145.09834	0.5
146.11694	0.4
147.57088	0.3
148.07542	0.4
150.09122	0.4
152.07140	0.5
153.01813	1.9
155.11765	0.4
156.10226	0.7
159.09193	0.7
161.05980	0.6
163.03896	6.6
164.07083	0.5
166.08676	2.2
168.10216	0.9
172.07637	0.3
177.05435	1.0
177.10225	34.7
178.10567	0.8
183.11266	1.4
184.07364	0.4
184.09697	0.4
187.10757	2.0
201.12331	6.1
205.09729	14.6
206.10130	0.6
211.10757	0.7
212.09177	2.2
213.09122	0.8
219.13229	0.4
221.12914	0.6
223.10765	0.5
229.11826	4.0
229.15480	1.1
238.08653	0.4
241.08684	0.5
244.17027	0.7
245.17271	1.7
247.12889	17.5
248.13765	1.3
250.95380	0.3
259.09726	1.3
263.10364	2.5
287.05292	0.4
289.06625	0.8
289.10623	0.5
289.19812	0.7
307.08194	0.6
320.12393	8.7
407.22726	0.4
431.17001	0.3
433.20728	1.8
450.01904	0.3
451.15558	0.8
451.24994	1.6
451.33023	0.4
452.26376	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	451.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.7
55.01868	8.5
55.05506	14.5
56.05038	1.8
57.03424	3.7
57.07056	4.3
61.02909	4.1
61.18095	1.5
65.03931	3.4
67.05503	22.2
68.99767	4.5
69.03094	2.6
69.03427	34.0
69.07068	21.0
70.06573	6.7
70.54019	5.3
71.01357	2.2
71.04969	5.5
71.08624	1.4
72.08118	2.3
73.02903	5.0
79.05488	21.7
81.03415	25.1
81.07050	50.2
83.04970	9.4
83.06081	3.2
83.08617	8.1
84.04465	2.0
84.08146	2.4
85.02905	35.5
85.06531	2.7
86.09689	5.6
87.00819	19.4
87.04456	1.4
91.05474	28.3
93.07036	42.6
95.04975	8.4
95.08597	38.2
97.02891	16.1
97.06524	7.2
97.10165	2.9
99.04455	6.4
99.08035	1.6
101.02343	1.6
103.03912	2.2
103.05447	3.5
105.01825	7.3
105.07027	56.6
107.04943	5.8
107.08588	36.5
109.02875	14.1
109.06524	11.1
109.10152	28.7
111.04431	5.2
111.08062	4.7
113.09669	1.4
115.03927	8.9
115.05465	2.8
117.01825	2.2
117.07009	10.6
119.08576	100.0
120.08115	9.7
120.08826	2.2
121.06473	6.8
121.10136	25.4
123.04403	3.6
123.08062	6.8
123.11697	11.4
125.05963	2.6
125.09593	2.5
127.03902	17.4
128.06155	2.4
129.01816	5.1
129.05721	1.4
129.06665	8.7
130.07758	3.0
131.08580	19.7
131.52470	1.6
133.06487	2.2
133.10110	29.6
135.04393	1.5
135.08064	7.3
135.11674	15.0
137.05949	4.3
137.09641	7.4
137.13261	2.7
141.06973	2.4
142.07765	4.9
143.08565	9.2
145.04947	4.8
145.06378	2.6
145.10092	25.2
147.02916	2.2
147.07977	5.3
147.11678	97.7
148.12025	2.0
149.05942	1.6
149.09605	5.8
149.13237	9.3
151.07535	4.8
151.11122	4.8
155.08505	5.3
156.09305	2.2
157.10123	15.6
158.10838	1.7
159.02876	6.6
159.08115	3.1
159.11681	20.7
161.09592	8.4
161.13225	15.7
163.03897	6.2
163.11171	4.1
163.14804	2.8
165.09050	2.2
165.12706	2.5
167.08453	1.9
169.10118	5.4
171.11687	10.7
173.09619	4.3
173.13254	10.8
175.07509	1.8
175.11192	4.1
175.14803	5.1
177.09007	2.6
177.12706	3.4
179.10652	3.3
181.10077	4.9
181.12093	2.4
183.11676	6.2
185.09555	2.7
185.13240	6.2
187.11147	4.3
187.14778	6.3
189.03911	3.1
189.12733	4.4
189.16374	5.7
191.10692	1.7
192.09264	1.9
193.12321	2.0
195.11687	4.0
196.12326	1.6
197.13268	4.2
199.11142	2.8
199.14774	5.0
200.11842	1.6
201.03848	2.3
201.12746	3.6
201.16388	15.9
203.14294	2.0
203.17909	16.8
205.12148	2.1
209.13254	5.2
211.11224	2.1
211.14781	4.0
213.12753	1.8
213.16365	6.5
215.14438	1.8
215.17947	11.4
219.04999	1.6
219.17407	2.7
223.14854	1.5
225.16313	4.7
227.14230	2.1
227.17908	7.0
231.04968	3.4
231.17419	5.6
237.16386	1.7
239.18002	2.7
241.15916	2.0
243.17337	3.6
245.18939	4.4
251.17917	1.9
253.15897	2.5
257.19043	4.0
259.09656	6.0
269.18991	3.7
275.20322	1.7
279.17218	1.7
287.20099	2.2
293.18979	4.1
305.24640	1.7
311.20056	11.3
329.21161	8.4
347.22006	2.6
397.20041	2.1
415.21265	8.1
433.22116	11.4
451.23138	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	450.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	21.3
57.03438	16.8
67.05504	71.2
69.07075	19.0
69.49841	38.0
69.50273	39.9
79.05478	29.8
81.07052	61.8
83.39533	11.0
91.05477	14.4
93.07043	44.3
95.08590	48.1
96.34400	9.6
98.02601	9.7
98.98463	54.6
99.81692	8.8
105.07037	12.1
107.08608	17.5
109.10176	22.5
115.31017	10.2
120.17821	10.5
121.10141	17.2
131.08553	17.2
155.01079	14.0
163.14745	10.1
173.02101	13.1
173.04164	8.3
243.21080	15.4
261.22168	22.4
300.56335	10.4
335.25830	100.0
359.05283	11.5
428.50262	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	451.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78030	3.5
56.96556	12.8
57.67563	3.8
70.05079	17.4
70.06570	5.7
81.07059	5.7
84.04541	3.9
84.96030	13.4
86.09696	5.2
91.05526	3.6
97.06480	4.0
98.97575	42.2
110.97510	17.1
116.98614	29.4
119.08658	4.8
120.08051	4.9
128.98610	12.8
134.99669	6.9
137.06055	4.5
143.00172	4.7
146.99634	10.8
161.01216	6.0
169.92900	4.1
170.99661	4.1
177.00760	5.6
185.01265	4.4
203.02240	4.7
219.01793	21.4
224.03555	9.7
237.02777	43.4
261.02780	7.2
270.17136	4.2
281.06888	7.2
358.71112	3.9
365.08981	13.5
383.10080	36.7
400.90582	3.7
407.11060	5.8
425.11063	6.6
451.09973	100.0
452.10339	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	451.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96542	0.4
53.72450	0.5
55.05462	0.5
59.49536	0.4
67.29649	0.4
70.71454	1.3
84.04500	0.5
91.05476	4.6
110.03526	0.8
110.07180	0.7
110.69698	0.4
114.49926	0.5
119.04935	2.5
128.04533	0.4
135.02992	2.0
135.04427	0.6
137.04480	1.0
137.04799	0.7
137.05975	24.9
152.05666	100.0
153.04124	3.1
153.06081	0.8
166.04974	0.6
168.10202	16.0
169.10400	0.6
284.09924	7.0
415.78461	0.5
422.84540	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	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57089	0.3
55.01874	0.4
55.05501	1.0
56.05026	1.2
60.04512	0.8
67.05481	1.0
69.03427	1.1
69.07057	2.5
69.50734	0.3
70.02936	0.5
70.06207	0.7
70.06590	13.4
70.67254	0.8
71.04987	0.4
71.06914	0.8
72.08159	3.1
73.02890	0.4
73.08464	0.5
74.06083	2.1
79.05495	0.8
81.03425	1.0
81.07061	1.0
83.08595	0.4
84.04488	2.1
84.08143	4.5
85.02896	1.3
85.04015	0.5
86.06053	0.4
86.09704	27.6
87.05589	0.4
87.10030	1.0
88.03986	5.7
89.03905	0.5
91.05476	2.4
93.07033	1.1
95.04975	0.7
95.08589	0.5
96.08178	0.3
97.02898	0.8
97.06509	0.4
98.02435	0.7
101.07129	0.9
102.05531	0.5
103.05465	2.7
104.10743	0.5
105.07028	1.1
107.04987	0.5
109.02885	0.4
110.02394	1.5
110.06038	0.7
110.07172	2.2
110.07780	0.3
112.08698	0.7
113.10762	1.1
115.08685	0.4
116.07114	0.5
117.03393	0.7
117.55290	0.3
118.06843	0.5
119.04931	0.7
120.08099	100.0
121.06527	0.4
121.08440	2.2
121.10123	0.4
122.09660	0.4
123.04511	0.5
124.03928	0.4
124.54698	0.3
127.03927	4.1
127.08688	0.5
129.10228	2.3
130.06526	0.3
130.08551	0.3
132.08119	0.7
132.10191	7.6
135.04445	1.3
136.07600	1.8
137.05974	0.8
138.09146	0.9
141.10210	3.1
143.11821	0.4
145.02866	1.4
145.09834	0.5
146.11694	0.4
147.57088	0.3
148.07542	0.4
150.09122	0.4
152.07140	0.5
153.01813	1.9
155.11765	0.4
156.10226	0.7
159.09193	0.7
161.05980	0.6
163.03896	6.6
164.07083	0.5
166.08676	2.2
168.10216	0.9
172.07637	0.3
177.05435	1.0
177.10225	34.7
178.10567	0.8
183.11266	1.4
184.07364	0.4
184.09697	0.4
187.10757	2.0
201.12331	6.1
205.09729	14.6
206.10130	0.6
211.10757	0.7
212.09177	2.2
213.09122	0.8
219.13229	0.4
221.12914	0.6
223.10765	0.5
229.11826	4.0
229.15480	1.1
238.08653	0.4
241.08684	0.5
244.17027	0.7
245.17271	1.7
247.12889	17.5
248.13765	1.3
250.95380	0.3
259.09726	1.3
263.10364	2.5
287.05292	0.4
289.06625	0.8
289.10623	0.5
289.19812	0.7
307.08194	0.6
320.12393	8.7
407.22726	0.4
431.17001	0.3
433.20728	1.8
450.01904	0.3
451.15558	0.8
451.24994	1.6
451.33023	0.4
452.26376	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	449.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89081	3.3
53.03922	3.1
55.01861	3.8
55.05493	15.0
57.03423	11.3
57.07072	3.8
58.29663	3.1
67.05502	47.6
69.07057	14.6
70.06583	5.6
71.08625	29.9
71.58028	5.5
79.05482	41.1
81.03397	6.0
81.06659	4.3
81.07056	49.6
83.04967	8.4
83.08604	8.6
85.06544	4.0
89.19169	4.0
91.05467	28.8
93.07035	50.3
95.08602	36.1
97.06509	7.7
97.10140	9.1
98.98450	23.6
99.08083	23.5
105.07019	18.2
107.04946	3.8
107.08585	32.1
109.10141	13.6
111.08057	5.1
117.06983	4.0
119.08566	15.3
121.10159	24.8
131.08524	4.8
133.10115	15.4
135.11676	29.3
137.05989	9.4
145.10063	6.3
147.11676	6.5
149.13240	6.6
151.11156	15.2
155.01057	7.1
159.11722	5.6
161.13222	10.9
163.11136	4.4
173.13322	4.2
175.25165	3.1
179.12781	5.1
179.14313	75.9
187.08009	3.2
256.80954	3.5
259.20639	7.9
277.21631	44.1
287.05472	22.1
315.19382	6.6
335.30301	3.6
340.62003	3.5
351.25287	100.0
352.25595	7.2
449.21539	6.7
449.28760	7.3
463.69769	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	449.2533
Annotation	Ugaferin
Peak:m/z	Relative Intensity
55.05492	6.7
67.05504	38.7
69.07061	6.2
70.47466	8.1
74.79154	2.4
79.05476	10.3
81.07055	38.7
83.08606	7.2
85.06521	2.5
89.03903	5.0
91.05467	7.5
93.07021	9.7
95.08608	38.2
98.21480	2.6
105.07007	3.3
107.04964	4.2
107.08591	7.8
109.10141	21.7
117.03361	9.9
119.08533	6.4
121.10140	8.9
123.08080	2.9
123.11684	8.1
132.15950	3.1
133.10126	7.0
135.04425	21.4
135.11693	6.7
137.09660	5.2
137.13203	5.5
145.02875	13.5
147.11665	2.5
149.13232	3.9
151.11192	10.2
163.03902	100.0
180.75662	2.8
181.04939	18.4
195.13751	2.7
198.94525	2.8
207.47311	2.9
215.17909	9.8
233.18968	6.4
251.20003	19.4
254.78647	3.2
287.05417	16.5
378.46417	2.9
428.21814	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	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03934	0.5
54.30965	0.1
55.01865	0.6
57.03428	0.8
57.68698	0.2
59.04987	0.2
61.02927	1.5
68.99792	0.5
69.03423	3.2
70.06536	0.9
70.06910	0.4
71.04990	0.4
72.08150	0.2
73.02905	0.5
79.05463	0.2
81.03403	1.4
81.07052	0.2
83.01334	0.1
84.08153	0.2
85.02901	9.7
86.03220	0.2
86.09692	0.9
87.04443	0.4
87.10048	0.2
91.03934	0.3
95.04976	0.2
97.02880	2.8
99.04439	0.6
105.03392	0.4
107.04941	0.4
109.02865	1.1
111.00819	0.8
120.08070	0.4
121.02857	3.4
121.06577	0.2
127.03895	1.7
129.06960	0.2
129.10204	0.2
133.02866	0.4
137.02353	1.0
141.06953	0.3
145.04942	1.7
145.06485	0.3
147.04411	0.5
147.99388	0.1
153.01823	4.9
157.06490	0.5
161.06009	0.3
165.01828	2.0
171.04372	0.4
183.02937	0.7
185.05974	0.5
197.05991	0.2
213.05475	1.5
213.07339	0.3
231.06540	0.7
241.04924	0.9
247.23279	0.1
258.05237	1.3
259.06015	0.4
267.64432	0.1
269.04385	0.2
269.92612	0.2
287.05475	100.0
288.05807	3.6
288.08896	0.3
299.05362	0.2
329.06097	0.2
376.31644	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03942	0.5
55.01857	0.7
55.05502	0.7
57.03424	0.8
61.02917	1.4
68.99791	0.8
69.03091	0.2
69.03429	3.3
69.07054	0.3
69.55523	0.5
69.55937	1.4
70.06587	3.0
71.04990	0.6
72.08145	1.1
73.02903	0.4
79.05486	0.8
81.03423	1.6
81.07043	0.7
82.06583	0.3
83.01296	0.3
83.08608	0.4
84.04498	0.5
84.08127	1.2
85.02901	7.9
86.09721	2.1
87.04479	0.4
91.03944	0.6
91.05457	0.7
93.07076	0.3
95.04996	0.4
96.08128	0.5
97.02888	2.7
97.06515	0.7
98.09705	1.0
99.04461	0.4
100.07628	0.3
100.11245	0.9
105.03375	0.4
107.04967	0.7
109.02884	1.0
110.06063	0.3
110.07164	0.4
111.00785	0.9
111.04475	0.4
119.04993	0.3
120.08089	1.1
121.02863	3.4
121.77011	0.3
126.05471	0.2
127.03899	1.4
129.10258	0.4
133.02888	0.4
136.07590	0.3
137.02339	1.1
145.02853	0.3
145.04933	1.3
145.06456	0.3
147.04445	0.5
153.01823	5.1
157.06430	0.4
161.06001	0.4
165.01839	1.9
171.04314	0.3
177.05453	0.5
178.12299	0.4
180.13844	0.3
182.15402	1.0
183.02881	1.1
185.05948	0.4
195.13823	0.3
208.13371	0.3
210.14893	0.8
212.59790	0.2
213.05446	1.5
213.14804	0.4
229.05046	0.3
231.06412	0.8
241.04964	0.9
246.14876	0.3
246.64943	0.3
258.05093	1.3
259.06024	0.4
269.17276	0.4
287.05493	100.0
288.05847	2.8
299.05530	0.3
329.06433	0.4
337.21124	0.5
344.31195	0.3
344.35416	0.2
345.13675	0.3
354.23737	0.5
374.07687	0.2
380.25427	0.4
431.29996	0.8
449.31079	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	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.05474	0.1
56.05008	0.1
60.44797	0.1
67.01871	0.5
67.05484	0.1
68.39516	0.1
68.99769	0.4
69.03392	0.3
69.07052	0.2
69.85547	0.5
70.06578	0.6
72.08112	0.3
73.02887	0.3
79.05474	0.1
81.03414	0.2
81.07024	0.2
84.08090	0.2
85.02898	0.4
86.09702	1.0
91.05412	0.1
93.06995	0.1
95.08549	0.1
97.02831	0.2
98.21521	0.2
107.04908	0.2
109.02846	0.1
109.10088	0.1
111.04404	0.1
117.03349	0.2
120.08086	0.8
124.25867	0.1
127.03848	0.2
129.01822	0.3
129.10236	0.1
133.08800	0.1
135.04413	2.0
137.02364	0.6
153.01814	5.4
153.13986	0.1
154.02016	0.2
161.02339	0.7
164.06973	0.1
171.02905	0.7
173.05896	0.1
177.05489	0.1
179.03372	0.3
181.04865	0.1
185.05894	0.1
203.03441	0.1
203.13731	0.1
213.05463	0.2
231.06473	0.1
241.04922	0.6
245.04410	0.1
259.05893	0.1
263.05453	0.2
269.04401	0.5
286.04788	0.1
287.05469	100.0
288.05807	4.2
303.04953	0.1
317.06390	0.6
449.10757	19.8
450.11124	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	449.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56434	1.3
51.17272	1.1
56.05031	11.5
58.06597	2.4
60.04520	16.4
61.01142	1.5
61.80789	1.3
69.07065	12.3
70.02953	5.1
70.06589	8.5
70.07436	1.3
71.58753	1.7
72.08154	5.6
73.02928	1.6
74.06078	17.1
75.56036	1.2
76.54140	1.2
82.06614	1.4
83.06094	4.8
84.04501	97.4
84.08130	8.1
85.02903	1.8
85.04031	5.2
86.09702	46.1
87.05584	14.9
88.03985	1.9
96.04482	4.7
97.02901	1.5
98.02409	5.2
98.06036	4.0
98.09698	2.1
101.07143	14.0
102.05517	7.5
104.05325	3.9
110.02396	15.8
110.07179	2.0
112.07637	1.4
113.10786	8.8
119.04932	1.3
121.02868	1.7
124.03961	3.9
124.11241	3.8
125.07055	1.7
126.05512	100.0
126.09096	1.7
129.10236	4.3
130.05008	5.2
130.08630	3.2
132.10191	4.3
136.07574	2.9
138.05486	12.7
138.09143	2.8
141.06578	1.3
141.10223	22.6
142.12259	4.5
143.11806	4.0
144.06523	3.2
147.11269	2.4
148.06029	11.3
150.05490	2.1
155.11752	2.2
163.03914	1.6
164.07071	2.4
166.08644	25.9
168.06592	3.5
170.04578	1.9
173.12756	2.3
183.11320	3.8
185.09239	2.2
186.07610	3.7
187.10802	12.1
187.14407	42.0
200.13982	10.7
201.12357	5.7
203.10284	2.3
204.08672	24.7
211.10782	3.4
212.09142	17.4
215.13899	14.3
217.08189	5.8
221.07689	2.1
228.13370	6.7
229.09570	1.8
229.11803	33.3
235.06877	1.9
235.09256	37.0
246.14481	49.7
247.14871	2.4
258.14587	1.9
302.17041	4.0
329.18018	1.4
431.21304	4.0
449.21567	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	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01869	0.1
55.05492	0.3
56.05025	0.1
61.02909	0.2
67.01858	0.4
67.05492	0.2
68.86155	0.1
68.99792	0.8
69.03414	0.3
69.07058	0.3
70.06590	1.9
71.04971	0.1
71.57793	0.1
72.08147	1.5
73.28531	0.1
74.06047	0.1
79.05466	0.2
81.03419	0.3
81.07027	0.2
83.06077	0.1
84.04488	0.3
84.08143	0.9
85.02916	0.6
86.09707	3.1
88.03977	0.1
89.03914	0.2
89.87167	0.1
91.05472	0.3
93.07036	0.6
94.07347	0.1
95.04962	0.3
95.08593	0.3
97.02871	0.3
97.06506	0.1
103.05421	0.2
105.03365	0.2
105.07040	0.2
107.04964	0.5
107.08595	0.2
109.02875	0.3
109.06486	0.2
109.10121	0.1
110.07134	0.3
111.00800	0.6
111.04437	0.3
116.07085	0.2
117.06999	0.2
119.08570	0.2
120.08102	3.7
121.02860	2.0
121.06425	0.1
121.10146	0.2
123.04436	0.1
127.03884	0.3
129.06979	0.2
129.10255	0.3
130.06540	0.3
132.08084	0.2
133.02843	0.3
135.04410	1.1
135.08026	0.1
136.07565	0.3
137.02339	0.7
137.05959	0.8
138.06322	0.2
141.06931	0.1
141.10205	0.1
143.11813	0.4
145.06458	0.2
145.10052	0.3
146.10455	0.1
147.04416	0.4
147.11702	0.1
152.07047	0.1
153.00578	0.3
153.01831	5.2
154.02150	0.2
157.06490	0.3
157.13210	0.1
159.09167	0.3
159.11624	0.2
161.02315	0.3
161.05949	0.1
163.11124	0.1
163.45529	0.1
165.01817	1.3
169.06436	0.1
170.06056	0.1
171.02893	0.3
171.04343	0.2
171.11369	0.3
173.09564	0.2
179.03340	0.2
181.04898	0.2
183.02914	0.6
185.06000	0.4
189.05400	0.2
189.09175	0.1
189.12375	0.2
199.18060	0.2
199.37970	0.1
203.03421	0.2
203.06960	0.1
206.12492	0.1
213.05487	1.0
231.06485	0.6
231.17052	0.2
233.16521	0.3
234.12199	0.2
241.04988	0.8
251.12784	0.3
251.15161	0.1
252.13214	0.5
258.05240	0.7
259.06039	0.4
261.15952	0.2
266.61490	0.1
269.04459	0.4
270.14172	0.2
279.17087	0.3
287.05490	100.0
288.05820	3.5
303.05151	0.1
306.15897	0.3
417.15555	0.2
449.10626	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	448.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10738	2.1
53.03921	2.3
55.01862	2.8
55.17405	1.9
57.03407	2.2
60.23077	2.4
61.02899	2.6
64.37270	2.0
67.05499	2.4
69.03406	9.6
69.07046	4.0
70.06575	5.6
70.83276	5.0
71.04982	12.5
79.05479	9.2
81.03403	2.9
81.07033	9.6
83.04952	6.0
85.02895	28.4
85.06522	8.9
86.09692	4.9
89.11308	2.3
91.05485	17.0
91.23067	2.2
93.07031	49.4
95.04947	8.3
95.08599	9.8
97.02864	7.8
97.06518	6.4
97.10101	2.1
99.04419	7.6
105.07020	13.3
107.04901	2.8
107.08585	20.4
109.06509	16.2
109.10165	3.2
111.04417	19.7
111.08057	2.8
117.07006	6.0
119.04957	3.7
119.08567	8.6
121.06487	5.4
121.10112	8.1
123.08096	2.5
124.47424	2.2
125.05953	3.7
127.03922	4.5
127.07546	3.8
131.08553	8.8
133.10167	2.4
135.08014	10.0
135.11626	6.1
137.05963	100.0
137.09581	1.9
139.17830	1.9
143.08530	2.4
145.04915	4.8
145.06427	3.4
145.10107	29.4
147.11681	4.1
149.09579	4.0
153.09102	15.8
153.12688	5.6
159.11678	12.0
161.09587	2.3
163.11166	11.5
167.10628	4.3
173.09608	7.0
177.05437	4.9
177.12709	4.8
180.10132	2.4
181.12204	5.1
187.11124	11.5
189.09137	2.6
189.12682	3.6
191.10628	19.3
205.12236	22.0
209.11670	14.8
215.10635	8.1
223.13257	4.9
225.14828	6.1
227.12811	4.8
233.11716	23.1
251.12764	57.5
269.13837	11.4
287.05469	18.3
303.04993	21.0
385.48688	2.4
433.56744	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	446.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.3
55.01853	7.1
55.05511	34.1
57.03409	6.2
67.05512	43.0
69.07076	22.9
69.72580	12.7
69.72994	12.3
79.05479	38.7
81.03418	7.0
81.07058	47.1
81.82854	3.7
83.04955	6.6
83.08610	16.3
84.04526	4.7
85.02883	4.4
91.05437	55.4
93.07041	34.0
95.04980	39.2
95.08616	30.1
97.06553	5.1
97.10150	7.9
98.20857	6.9
105.07021	30.3
107.04301	3.6
107.04950	17.1
107.08598	28.4
109.06496	17.7
109.10153	13.9
111.08060	4.6
112.54600	3.8
117.07026	11.0
119.04947	13.3
119.08572	27.0
121.06499	10.3
121.10142	13.9
123.04440	14.0
123.08032	7.5
123.80281	4.0
125.09634	5.6
129.07030	6.5
131.08583	13.5
133.06458	9.2
133.10150	26.8
135.04428	13.1
135.08026	3.8
135.11668	14.2
137.05957	68.1
145.06502	6.7
145.10127	11.9
147.04417	11.1
147.08061	6.9
147.11699	5.2
149.05911	4.8
149.09602	15.7
149.13268	5.9
151.11148	6.3
152.07065	12.3
157.10120	5.7
159.07834	3.9
159.11687	5.6
161.05998	14.9
161.09616	4.8
163.11182	11.2
165.09143	4.7
165.12756	5.5
166.09601	3.8
167.05597	6.3
169.21577	4.4
173.06023	6.0
175.07507	10.8
177.12741	4.1
189.11153	4.6
191.07007	5.5
205.12172	7.3
223.13255	12.8
275.19998	20.7
277.21719	8.2
293.21078	33.7
303.15829	6.0
360.02805	7.6
383.25491	6.2
393.24335	9.7
411.25275	100.0
428.27850	26.7
429.26285	49.5
446.29068	91.1
447.28384	14.8
464.96860	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	447.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.9
56.05032	10.6
60.04512	4.7
61.01124	2.9
64.80791	2.2
69.07058	4.4
70.02934	6.9
70.06588	48.8
72.08151	93.0
72.18034	1.9
73.04729	4.0
73.08480	4.0
74.06065	6.2
83.06085	7.6
84.04502	95.6
84.08142	18.8
85.02874	7.0
85.04815	5.6
86.09702	100.0
87.10020	5.9
88.03993	21.9
91.05818	16.4
96.04473	8.2
97.07708	1.9
98.02402	4.4
99.05581	4.6
101.07127	16.2
102.05540	64.8
102.07442	4.8
104.05328	2.7
104.07100	2.4
107.04932	5.1
110.07161	8.7
113.07100	2.8
114.05547	5.6
115.08688	4.6
116.07122	4.2
120.04480	2.8
120.08087	2.4
124.03941	2.3
129.06535	5.6
129.10233	12.2
130.05026	5.3
132.10194	25.3
133.06076	3.2
136.07565	3.3
139.05006	2.5
141.06563	41.4
142.06949	2.8
143.11844	2.5
144.06544	9.8
147.07545	2.6
149.02313	9.1
150.05487	2.5
155.08174	2.4
157.06126	2.3
158.10077	2.1
159.07666	33.8
160.07961	3.5
162.07616	13.9
163.03900	8.4
163.07484	2.7
164.07068	2.3
167.05537	6.3
167.06824	2.2
167.08144	2.4
169.06036	7.0
173.12817	5.1
181.06041	10.5
183.11194	3.6
185.05569	5.8
187.07153	52.5
187.08684	1.9
187.14418	3.8
188.07410	4.6
189.12431	3.8
197.12860	18.2
198.13438	2.1
201.12355	9.5
203.10258	3.2
213.39264	2.6
217.08125	9.3
217.11781	8.2
225.04268	2.7
225.12164	2.1
227.06619	3.1
229.11945	5.4
231.06203	3.3
242.14886	2.4
243.13329	43.0
244.13853	3.2
245.07655	13.5
246.14595	2.2
261.14352	12.5
269.12704	2.3
282.22290	2.2
298.10269	4.5
316.11179	15.7
317.62921	2.3
358.16370	2.2
360.03030	2.7
361.02454	7.6
365.18353	3.9
383.19208	5.8
448.19543	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	447.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03413	0.7
55.05509	8.0
56.05035	10.0
56.37120	0.6
57.05809	1.4
58.06597	3.3
60.04523	4.3
61.01115	0.8
64.33495	0.7
65.29859	0.6
67.87411	0.7
68.05036	0.8
69.07055	5.6
70.02942	1.0
70.06591	16.6
71.06901	1.0
71.51537	1.0
72.08151	100.0
73.04043	0.9
73.04740	0.9
73.08485	1.7
74.06072	22.8
74.09704	0.7
74.95840	0.7
83.06080	0.8
84.04501	22.7
84.08144	9.0
85.02904	2.2
85.04844	1.1
86.06062	1.7
86.09700	84.0
87.05600	2.6
87.10039	2.7
87.37049	0.7
88.03980	3.7
91.05788	3.4
92.05766	1.7
95.04948	0.9
96.04520	1.0
96.08145	0.9
98.02409	0.9
98.06080	1.1
98.09666	1.0
101.07137	18.0
101.07764	1.2
102.05538	11.7
104.05322	1.2
104.07104	1.8
107.04961	1.0
110.07156	5.0
111.04483	1.2
112.04000	0.7
113.07104	1.4
115.08690	1.3
116.07092	2.8
117.03341	0.8
119.04972	2.0
120.08112	2.2
124.11250	2.6
126.05560	1.1
126.09202	1.4
126.12798	1.2
127.08730	0.9
128.10716	1.9
129.06610	1.5
129.10245	6.2
130.04985	2.4
130.08638	1.1
130.10516	0.8
132.10242	2.6
133.39735	0.8
134.04486	1.8
135.04428	1.6
136.07562	6.6
137.06010	0.9
137.07912	3.0
140.07095	2.6
141.06566	1.4
141.10268	0.9
142.12253	10.5
143.11780	4.7
144.06604	1.8
146.05988	0.8
148.06079	3.3
149.02362	3.4
150.05608	1.4
152.07080	1.3
155.08145	0.7
157.13344	1.1
159.07709	2.6
159.09096	0.9
159.11327	2.0
161.09273	1.4
162.07684	3.1
163.03909	4.2
165.05606	0.8
167.05641	1.1
167.08208	1.2
168.10245	1.0
169.13515	1.1
173.12801	8.6
176.07005	0.7
180.39053	0.7
181.06151	2.4
182.08107	0.9
185.09219	0.7
185.16493	1.7
187.07123	4.5
187.10886	4.3
187.14407	65.7
188.07375	1.1
188.14824	1.5
192.10300	1.5
193.10562	2.2
197.12895	2.8
199.07150	1.6
199.18083	2.8
201.12323	6.0
203.14000	2.3
205.11908	1.7
213.08842	1.2
213.15932	1.2
215.10712	3.6
215.13893	36.5
216.14325	1.2
217.08264	3.3
217.15511	1.0
219.55199	0.7
221.07703	1.4
227.17584	1.2
229.11821	1.6
231.09834	1.8
233.11316	31.3
237.12318	1.7
238.12668	1.6
240.13391	0.9
243.13312	4.5
245.07674	6.3
247.12839	5.3
258.14624	0.8
261.14539	2.8
266.12073	0.9
284.13406	0.8
300.19409	0.7
314.20776	4.7
315.13214	1.1
316.11331	1.4
339.74185	0.8
357.14505	1.0
361.02667	2.0
394.98178	0.8
447.25156	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	447.22
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
56.05036	0.3
67.05502	0.6
69.03431	0.5
69.07081	0.4
70.06580	0.9
70.62953	0.5
70.63302	0.7
71.04968	0.4
76.41568	0.3
79.05476	0.5
81.03403	0.5
81.07041	0.8
83.04922	0.3
85.02892	0.3
86.09698	1.0
86.88921	0.3
90.00167	0.3
91.05479	0.4
93.07040	0.5
95.08590	0.5
97.02869	0.5
98.20874	0.4
102.67687	0.3
105.07018	0.4
107.08610	0.3
109.02970	0.3
110.07122	0.3
112.65649	0.3
120.08125	0.8
121.10141	0.5
131.01787	0.3
133.10123	0.4
134.32785	0.3
159.08000	0.3
173.02925	0.4
203.05238	0.5
217.47137	0.4
275.07336	1.3
312.17502	0.4
315.17776	1.1
335.09515	2.6
447.22015	100.0
448.22360	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	445.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	32.9
57.07074	37.3
60.03943	5.1
67.05499	38.1
68.86682	4.9
69.07063	77.3
69.28389	52.5
71.08627	34.6
77.03919	4.9
79.05482	24.2
81.07048	89.8
83.08616	33.5
85.10169	20.8
91.05485	21.5
93.07040	60.4
95.04981	10.9
95.08603	93.2
97.10149	26.4
98.20826	13.0
105.07027	65.7
105.83840	5.7
107.08595	72.6
109.10155	50.7
110.43700	5.3
111.11710	17.2
115.03841	5.6
117.07008	15.5
118.87333	5.7
119.08570	44.1
120.34074	5.8
121.10133	64.7
123.08100	7.2
123.11686	34.9
129.06969	6.8
130.83992	5.4
131.08537	37.9
133.10091	47.6
135.11685	31.2
137.13197	9.8
143.08545	17.6
145.10086	59.0
147.08064	6.9
147.11708	46.3
149.13274	31.6
155.07014	12.5
157.10078	15.1
159.11671	39.8
161.13297	28.7
163.11194	7.2
163.14809	10.4
165.09099	19.3
167.05603	5.9
171.11618	11.2
173.13269	13.4
175.14774	14.4
177.16382	6.6
185.13210	12.8
187.14853	14.0
189.16360	14.9
191.10628	26.2
199.14848	8.5
201.16362	10.7
203.17827	9.6
219.13637	8.1
227.17859	9.1
231.13791	9.0
233.15308	11.4
245.15364	8.2
247.24208	8.3
261.25598	8.3
273.18478	10.5
273.25580	5.9
287.20020	14.7
335.45990	6.7
341.31976	14.2
343.33609	36.6
359.02924	7.3
385.34351	7.1
427.35803	36.8
445.36832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
51.20338	0.4
53.03949	0.9
54.65630	0.4
55.01863	0.7
55.05502	1.0
56.05027	1.0
57.03421	0.6
60.04522	1.2
61.02924	1.0
65.03933	0.6
69.03430	3.0
69.07057	1.3
69.76488	2.5
70.06590	10.0
71.06931	0.6
72.08154	7.2
73.08480	0.9
74.06078	1.0
79.05515	0.6
81.03404	2.6
81.07052	0.4
84.04490	1.7
84.08147	5.9
85.02901	6.4
86.03227	0.6
86.09706	17.0
87.00809	0.9
87.04502	0.4
87.05577	0.8
87.10045	1.9
88.03995	1.0
90.05556	1.0
91.05453	8.1
93.07047	6.3
95.04967	1.6
97.02894	1.6
97.12154	0.4
99.04456	0.6
102.05538	0.6
102.31567	0.4
103.05444	3.8
103.05939	0.3
105.01876	0.4
105.06985	0.4
107.04930	0.5
107.08585	1.0
109.02867	1.1
110.07137	2.2
112.08781	1.0
115.08684	0.7
116.07091	2.4
119.04940	16.8
119.08563	0.5
120.08115	3.6
121.02912	0.5
121.06500	32.5
122.06850	0.8
127.03929	2.5
128.04239	0.5
129.10248	2.8
130.04994	1.1
130.06534	0.7
131.04959	1.3
132.08101	0.5
132.10194	0.4
133.10179	0.6
134.10432	0.5
135.11612	0.4
136.07574	1.5
137.06013	1.2
138.09105	0.7
138.74039	0.4
141.10208	0.8
145.04935	0.7
147.04405	100.0
148.04750	3.0
155.11844	0.9
159.09200	0.9
159.11263	0.8
163.07544	0.7
164.07077	1.9
167.05617	0.5
167.06987	0.6
173.09250	1.4
173.12848	0.8
180.11089	0.6
183.11339	1.1
187.10818	1.0
197.11708	2.0
198.12076	2.2
200.13866	2.2
201.12296	0.9
203.13783	0.4
211.10744	0.5
216.10655	0.4
219.13329	0.4
228.13429	1.2
284.12808	54.9
285.13110	3.1
286.09201	0.4
340.73026	0.4
360.02829	0.4
391.62561	0.4
446.18188	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	446.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
55.05503	4.7
56.05040	9.0
58.06581	2.0
59.05238	1.1
60.04519	5.1
61.01144	1.0
67.05524	1.0
69.07066	4.7
70.02949	2.7
70.03731	5.1
70.06591	18.0
72.04508	0.9
72.08156	51.8
73.04764	1.2
73.08494	1.7
74.06075	7.6
77.71829	1.0
83.06106	23.6
84.04504	95.1
84.08140	16.1
85.02902	1.9
86.09705	100.0
87.05584	3.0
88.03994	17.2
89.07150	3.5
91.05818	10.4
96.04482	5.3
98.02406	4.8
98.20805	1.3
99.05570	12.5
101.07141	79.7
102.05545	13.0
103.05502	1.4
104.07111	5.7
107.04937	2.6
110.06038	1.1
110.07167	3.2
110.09670	1.4
113.07135	4.7
114.05505	8.0
114.07388	1.3
115.05043	1.0
116.07091	1.1
119.04941	1.6
120.08121	1.5
124.03938	2.7
129.06587	7.2
129.10242	14.2
130.05009	5.0
130.08672	1.2
131.04982	1.9
131.08177	2.1
131.11813	4.7
132.10201	13.2
133.06090	5.1
135.04401	2.3
136.07578	3.8
138.05504	1.1
140.07076	2.5
141.06587	23.7
141.10326	1.4
142.04987	4.3
144.06619	2.0
147.07623	6.4
147.11258	2.2
150.05507	1.1
152.07074	3.8
152.10728	2.1
155.08139	2.1
157.09708	1.3
157.13335	1.6
158.09268	1.6
159.07655	57.4
162.07657	1.8
163.03860	1.8
167.05611	2.2
168.05525	1.3
168.10257	1.7
169.06091	4.7
169.13278	2.1
173.09210	2.8
173.12837	8.0
173.82994	1.1
181.06142	1.1
183.11366	1.3
184.10857	1.5
185.09195	1.5
185.12976	1.3
186.08748	4.4
187.07146	36.8
187.10797	4.0
187.14607	1.2
196.14470	11.0
197.12859	18.5
197.14520	1.5
200.10321	3.1
201.12337	5.9
204.09828	11.1
205.11833	4.4
208.09747	1.9
210.08704	1.1
214.15529	6.5
215.13948	1.7
217.07973	1.2
224.14059	3.2
225.12334	5.1
228.09692	1.2
229.11809	1.9
232.12994	1.4
238.08406	1.1
242.14990	36.8
243.13406	27.4
245.07698	1.4
246.14412	6.1
260.16058	11.7
261.14471	2.0
280.09277	1.2
287.13358	1.9
296.19739	2.9
297.11993	3.4
297.15067	1.2
298.10480	1.3
315.12961	15.0
315.16443	1.5
316.11398	1.3
323.20999	1.3
324.15814	1.1
324.19312	1.5
341.18082	1.6
341.21799	2.6
343.19769	1.3
343.99533	1.3
359.02963	1.8
360.02914	4.2
361.02603	1.9
399.40488	1.1
411.22797	1.9
428.24960	4.4
446.26068	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	445.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61689	0.2
55.05509	8.0
56.05031	1.6
57.05809	1.1
58.22738	0.3
60.04530	0.9
61.01134	0.4
67.05532	0.4
68.05004	0.3
69.03408	0.6
69.05337	0.4
69.07054	2.2
70.02946	0.6
70.06205	0.6
70.06589	10.4
70.73159	1.1
71.06924	0.6
72.08150	100.0
73.04745	1.1
73.08481	1.7
74.06077	0.8
81.03414	0.5
82.06566	0.4
84.04507	4.0
84.08144	4.9
85.02899	0.5
85.04028	0.4
85.08491	0.4
86.09701	38.0
87.05572	0.7
87.10023	1.3
88.03986	2.8
91.05843	3.6
93.07042	0.4
97.02879	0.4
98.09681	0.4
101.07125	0.3
102.05531	2.1
104.05313	0.8
107.04947	0.3
110.02422	0.6
110.07156	1.9
110.09682	0.5
112.08723	0.5
113.07062	0.3
113.10750	0.7
115.05016	0.3
115.08698	0.5
116.07088	1.1
117.07005	0.3
119.04929	0.5
119.08540	0.3
120.06584	0.3
120.08101	1.7
121.02874	1.4
122.06000	0.3
124.03996	0.4
127.03906	0.4
129.10242	2.9
130.04996	0.8
130.06534	0.6
131.04889	0.5
132.08064	0.4
132.10188	5.3
136.07544	1.0
137.05957	0.5
141.10204	1.9
142.08572	0.3
143.11803	0.8
144.06563	1.4
147.04309	0.3
148.06099	0.4
149.04543	0.5
153.10228	0.9
155.08138	0.3
155.11768	1.0
156.10152	0.6
157.13365	3.2
159.09166	0.6
162.07614	1.9
166.08630	2.3
167.05595	1.8
169.09711	1.0
170.05910	0.3
171.14912	26.4
177.05377	0.3
182.04903	0.4
183.11247	0.7
183.14882	0.3
184.09642	0.3
185.12823	3.7
185.16484	1.3
187.10779	2.3
197.12904	0.7
199.14410	14.6
200.14496	0.2
201.08722	0.6
201.10577	0.5
201.12300	3.9
202.08278	0.6
203.12157	0.7
203.13876	0.5
212.09201	1.6
213.16000	1.3
215.10278	2.6
215.13846	1.0
225.04303	0.4
229.10033	0.6
229.11829	2.2
231.11511	0.7
232.95216	0.3
233.14923	1.0
239.17459	0.3
242.18588	0.3
243.13330	2.3
247.12889	15.3
261.14426	4.1
283.06168	0.4
284.19696	0.4
298.21170	0.4
314.17062	6.2
332.18130	0.5
342.99652	0.4
346.19800	1.2
359.02829	2.5
360.03009	0.4
435.51309	0.3
445.14661	0.9
445.20441	0.5
445.25903	0.7
447.23529	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	445.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01858	0.8
55.05512	9.8
56.05029	2.7
56.05555	0.6
57.03442	0.7
57.05794	1.2
59.24147	0.6
60.04522	1.4
61.02922	1.1
67.05499	2.0
69.03439	3.3
69.07062	2.5
70.06593	12.7
71.04974	1.0
71.59342	1.3
72.08155	100.0
73.04747	1.6
73.08466	0.6
74.06077	2.3
74.32397	0.6
79.05476	1.8
81.03403	3.0
81.07049	1.5
82.06594	1.4
83.06113	1.0
84.04504	19.4
84.08140	7.3
85.02898	4.0
85.06519	0.8
86.09705	65.1
87.00824	0.7
87.05576	0.7
87.10014	1.3
88.03994	1.8
91.05883	6.1
92.91490	0.5
93.07048	2.3
94.06585	1.1
95.04998	1.2
95.08633	1.8
97.02908	1.9
97.06565	0.6
98.02429	0.7
99.04480	0.9
101.07137	1.4
102.05541	43.6
105.07050	2.4
105.83833	0.7
107.04951	1.0
107.08598	6.0
109.02896	1.7
109.10146	0.7
109.70090	0.7
110.06039	1.6
110.07182	2.1
112.08691	0.8
115.08731	0.7
117.03388	0.8
119.08598	1.9
120.08132	4.1
121.02870	2.6
121.06476	1.1
121.10152	1.3
123.04453	0.8
127.03912	2.3
127.08692	1.9
128.07109	2.1
128.98616	0.6
129.10254	4.4
130.05028	1.5
130.06560	1.0
132.08092	0.8
133.10120	3.8
135.04437	1.1
135.11778	0.8
136.07556	1.4
137.06009	1.6
138.05498	1.6
138.09106	1.1
141.10204	1.1
143.11852	1.3
145.02866	1.4
145.04997	1.0
145.10130	1.2
146.11760	31.2
147.04370	0.9
147.07784	0.6
148.63206	0.6
151.07539	0.9
151.11163	1.8
152.07063	0.7
155.06201	0.9
155.08134	11.9
156.06548	1.0
156.10236	1.8
159.09213	1.4
161.09628	1.5
163.03900	0.9
163.11276	0.8
167.05614	3.5
167.10744	1.8
169.07582	0.9
173.09221	38.8
173.12895	1.2
174.09726	0.7
175.31009	0.6
177.05499	1.9
179.04756	0.7
179.10710	2.8
183.11287	3.3
185.16411	1.4
187.14462	1.6
197.11711	18.8
198.12086	0.7
199.18156	1.3
201.08705	65.9
201.12352	9.5
202.09070	1.2
213.15999	1.2
216.13327	0.7
217.15543	3.4
219.13342	0.8
225.04385	1.4
225.06622	1.6
227.02304	0.7
227.17708	1.1
229.06064	1.1
229.11850	5.4
245.18607	30.8
246.19073	0.9
255.13423	1.3
262.77908	0.7
267.07773	0.8
271.07233	1.6
272.16019	3.0
282.14737	0.9
283.08319	1.3
285.08875	1.2
295.07150	1.8
300.15521	12.6
301.09598	1.0
313.08200	1.6
327.86865	0.6
331.08807	0.8
342.99774	0.8
359.02930	5.7
385.11334	1.0
427.12503	1.5
428.11432	1.4
445.13269	3.4
446.13977	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	444.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62140	3.2
65.22806	3.0
65.92300	3.1
69.34307	2.9
69.48508	22.3
73.04754	25.4
86.06071	4.2
91.05791	100.0
93.03758	3.2
94.94708	3.2
106.31657	3.2
114.07427	5.3
124.45351	4.4
141.52351	3.5
149.04408	4.4
167.05551	42.3
177.97807	3.2
184.97153	8.4
208.96977	11.5
211.37625	4.1
225.00027	8.6
225.04324	13.3
226.98027	30.3
234.98431	5.7
252.99644	8.4
254.97598	4.0
270.97025	21.0
276.99600	4.2
278.97571	5.2
286.95230	3.2
288.98071	21.1
295.00574	7.1
296.98572	6.0
311.00098	19.2
320.98578	12.4
329.01120	6.4
338.99606	28.3
340.97583	31.9
341.01538	5.7
342.99631	9.5
354.99081	6.4
359.02835	81.1
364.97607	15.3
382.98499	27.8
408.96588	36.9
426.97574	62.2
444.98602	48.3
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
53.03938	1.4
55.01870	1.3
55.05512	0.7
56.05023	0.8
57.03446	0.9
58.87904	0.5
59.05005	0.6
61.02914	1.0
67.05504	1.3
68.99765	0.7
69.03429	6.1
69.07050	1.1
69.37487	1.7
69.37909	2.9
70.06585	5.8
71.04984	0.9
72.08149	4.3
73.02891	1.3
73.04733	0.8
73.95461	0.5
74.06063	1.3
79.05482	1.6
81.03413	4.1
81.07031	1.0
84.04491	3.2
84.08135	1.9
85.02904	16.5
85.10450	0.5
86.09704	25.4
87.00829	4.6
91.05389	3.2
93.07050	5.8
95.04951	1.8
97.02894	3.6
99.04450	1.3
102.05543	2.3
105.01862	2.9
105.07029	6.0
107.04931	1.2
107.08595	15.3
109.02889	4.7
109.06482	1.1
109.10107	1.3
110.07146	1.1
119.04872	0.7
119.08573	2.1
120.08075	1.5
121.06503	1.7
121.10111	0.6
123.04391	1.5
123.11661	0.7
127.03920	8.1
129.10246	1.4
132.10155	1.0
133.10127	17.4
135.11684	15.3
137.05966	1.3
137.09625	0.9
143.11819	1.0
144.06523	0.9
145.04942	2.0
147.02901	0.5
147.04410	1.6
151.11183	1.8
157.13344	2.6
159.02916	0.9
159.74408	0.6
161.09615	8.6
162.07611	1.9
167.05540	1.5
167.10629	1.1
171.11275	0.9
179.10658	29.6
180.11037	0.7
185.12831	2.0
185.16508	0.7
189.03891	0.9
197.11717	100.0
198.12059	1.8
215.13904	1.5
231.05017	1.6
233.14832	0.9
243.13394	2.2
245.18549	0.8
257.31406	0.5
261.14377	1.1
275.15906	1.0
284.12689	0.9
359.02957	1.2
453.07709	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	445.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39952	1.1
52.38822	1.1
53.03925	4.1
55.01870	3.3
55.05510	8.9
57.03434	11.8
59.04995	2.4
59.98531	0.9
60.76727	1.0
61.02906	1.5
63.82252	0.9
65.03926	1.6
67.05505	48.1
69.03427	17.1
69.07056	8.3
70.06587	9.5
70.48406	3.5
71.04990	100.0
71.31654	1.1
72.05318	1.9
72.08143	2.6
72.33887	1.1
73.02918	1.3
73.04755	3.3
74.99734	0.9
79.05492	20.0
81.03423	30.2
81.07051	60.7
83.04971	10.7
83.08601	5.5
84.04470	3.7
84.08143	4.2
85.02907	10.2
85.06552	9.5
86.09702	21.5
87.04437	2.1
91.05434	34.6
93.07035	17.3
95.04968	4.7
95.08607	11.3
97.02889	34.9
97.06528	7.7
98.21442	1.3
99.04466	7.0
99.08066	2.0
101.05995	1.4
103.03933	2.5
105.07022	22.3
107.04962	2.8
107.08597	17.0
109.02881	7.9
109.06523	3.9
109.10163	11.3
110.07175	1.7
111.04424	6.2
111.08086	3.2
117.07020	4.4
119.08578	3.7
120.08092	6.1
121.02815	1.7
121.06525	2.6
121.10159	3.1
123.04364	1.4
123.08056	1.6
123.11688	11.3
127.03911	10.8
129.05476	4.0
129.10271	2.1
130.05057	2.0
131.08531	6.5
132.10176	1.3
133.10126	30.8
135.08083	1.5
135.11702	4.3
137.05984	3.0
137.09612	1.4
137.13245	1.6
143.08597	1.4
145.04942	1.7
147.07904	1.5
147.11710	2.7
149.05887	1.3
149.09648	2.2
149.13268	8.8
151.07573	1.6
151.11180	18.6
157.10130	1.7
159.11691	9.9
161.13287	2.2
165.09079	1.5
167.05515	3.6
167.06981	2.5
169.12238	3.6
173.04439	10.3
175.11115	1.3
177.12746	4.9
183.06564	3.4
183.13800	9.4
187.13298	27.8
193.12221	1.9
195.13757	6.0
201.12827	1.6
201.14853	16.7
213.14877	2.1
225.04323	1.6
239.16321	1.2
243.15971	4.3
257.17468	64.4
258.17813	1.2
267.15738	1.3
269.17526	5.2
283.19070	2.1
301.20172	7.5
303.15906	1.2
315.57077	1.3
321.17029	2.1
329.19598	1.2
339.18027	2.2
342.99890	1.8
359.02612	5.8
366.21448	1.6
377.19672	1.3
395.20670	4.9
413.21567	8.6
445.18231	2.8
445.24329	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	444.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.9
55.05488	11.8
61.72870	2.9
67.05509	16.6
69.07047	12.5
69.30684	13.3
69.31117	19.3
70.06591	11.6
72.08147	3.4
73.04743	4.2
79.05482	15.5
81.03410	6.3
81.07061	20.7
83.04954	5.3
83.08605	6.7
84.04489	5.1
84.08127	6.1
86.09673	8.9
91.05383	21.1
91.05936	3.8
93.07040	16.6
95.04949	9.1
95.08602	14.2
97.06521	4.3
103.05477	3.2
105.07028	16.0
107.04974	15.5
107.05569	3.2
107.08584	10.7
109.06480	5.0
109.10124	7.4
117.07000	10.4
119.04939	6.0
119.08608	19.7
121.06493	7.8
121.10117	8.8
123.04420	13.7
131.08548	15.0
133.06447	7.1
133.10107	9.0
135.04396	8.5
135.08038	4.0
137.05983	29.6
145.10110	8.7
147.04433	8.5
147.08051	7.4
147.11742	3.5
149.05945	3.1
149.09636	4.9
152.07143	3.6
157.10175	5.4
159.08037	5.2
161.05978	11.7
161.09605	6.7
163.07542	6.1
163.11165	3.7
165.05365	3.0
165.09114	4.2
167.05591	5.7
171.11609	7.2
173.05948	4.7
175.07521	8.2
223.07387	3.9
225.09030	3.7
273.18420	4.9
291.19473	5.0
305.36804	3.5
336.72028	3.8
359.02832	7.8
359.18579	4.4
381.24307	3.6
391.22592	3.8
409.23645	39.6
426.26425	4.9
427.24814	43.0
444.27438	100.0
445.28009	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	444.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60874	1.5
55.01856	2.1
55.05487	5.1
56.05027	1.6
59.92337	1.7
60.07970	1.3
62.03116	1.6
67.05492	5.2
69.07052	5.5
69.19336	18.0
70.06577	5.4
72.08163	1.8
78.00360	1.5
79.05491	8.9
81.03411	2.3
81.07040	6.2
84.08126	3.1
86.09704	2.1
89.71763	1.5
91.05441	5.7
91.05891	2.6
93.07042	4.9
95.04938	2.1
95.08595	6.3
98.20800	2.6
103.05475	1.7
105.07009	4.8
106.06567	7.6
107.04948	40.3
107.08577	4.7
109.02874	2.7
109.10139	2.9
117.06938	2.7
119.08553	3.9
121.06495	2.2
121.10137	4.0
123.04424	2.7
127.54290	1.4
129.10178	1.5
131.08577	2.9
133.10136	3.8
134.05997	7.9
135.03416	2.9
135.04404	32.7
135.08043	1.9
135.11668	3.0
137.05989	3.9
143.08572	1.7
145.10086	3.0
147.04424	3.2
147.11676	2.1
149.06012	4.3
149.09612	1.7
152.07060	100.0
153.07166	1.9
159.11795	1.6
161.05936	2.0
165.09082	3.3
167.05577	2.5
173.06001	2.2
214.17909	1.9
215.18338	3.3
225.04167	1.7
229.08563	3.0
275.20102	4.7
293.21152	3.8
359.02829	3.3
391.22769	3.5
401.75909	1.8
408.25101	4.1
409.23672	13.5
426.26129	5.7
427.24411	9.2
428.25546	2.0
444.27441	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.7
55.05511	27.1
61.65516	3.9
66.66070	5.0
67.05515	21.4
69.07058	11.3
71.60353	5.9
72.08142	5.6
79.05480	19.8
81.03401	6.5
81.07047	21.2
83.04990	7.4
83.08612	16.4
89.02410	5.4
91.05394	10.0
93.07046	22.1
95.04971	31.4
95.08584	14.7
97.06510	7.4
97.10181	7.8
99.87749	4.3
105.07046	24.9
106.49361	4.1
107.08591	14.4
109.10148	10.7
117.07010	8.6
119.08562	24.7
121.10123	11.8
125.09613	7.9
129.07066	5.6
131.08609	15.1
133.10115	14.3
135.07970	6.4
135.11723	10.0
137.05962	6.3
137.09570	5.7
143.08481	4.8
145.10086	22.3
147.11720	12.2
149.09630	18.5
157.10143	7.1
159.11607	11.0
161.09589	5.7
163.11177	26.3
167.05502	6.3
171.11656	6.6
173.13263	6.1
197.13179	5.8
223.13252	17.0
239.17851	8.3
257.19034	16.3
275.20044	100.0
276.20596	4.7
293.21036	37.8
300.45764	5.7
359.02631	9.3
378.30414	4.5
456.93195	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	444.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.5
55.05509	31.4
56.36978	5.9
62.40432	5.1
67.05497	21.2
69.07059	21.3
70.06587	9.5
71.58057	10.0
79.05493	30.3
81.03413	8.8
81.07056	28.2
83.04974	6.8
83.08632	16.0
83.84115	5.6
84.08128	7.3
86.09680	7.3
88.86694	5.2
91.05426	49.5
93.07039	25.2
95.04951	34.3
95.08611	15.6
97.10186	6.1
105.07043	17.5
107.04957	35.6
107.08584	16.8
117.07029	10.2
119.04940	8.4
119.08561	16.0
121.06517	12.6
121.10158	11.2
123.04414	34.8
123.08115	9.3
129.06999	6.2
131.08572	15.3
133.06467	13.7
133.10127	10.3
135.04398	52.1
135.07983	10.6
137.06000	65.3
145.06461	7.2
145.10097	12.4
147.04391	15.5
147.07994	7.9
149.06000	11.1
149.09605	8.4
150.05548	7.2
150.44615	5.7
161.09691	7.9
163.11133	12.6
165.09109	7.9
167.05533	13.1
173.06058	7.4
175.11150	7.5
177.09062	10.3
182.75520	5.4
195.61963	5.9
215.30743	6.3
223.13284	12.7
273.18405	13.0
291.19604	8.8
305.14041	6.4
357.16980	44.5
359.02866	6.9
359.57883	6.8
374.19775	7.8
409.23471	9.2
426.26425	9.3
427.24719	100.0
444.27371	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
56.05019	1.8
56.23455	0.3
56.96546	0.4
57.03440	0.3
58.94102	0.4
60.04513	1.3
67.05495	0.5
67.83389	0.4
69.03413	0.8
69.07064	4.8
70.02952	0.5
70.06588	15.9
71.06926	0.8
71.50864	0.6
72.08152	14.4
73.04764	0.5
74.06076	1.3
79.05470	0.5
81.03414	1.0
81.07056	0.4
83.06107	1.9
84.04499	9.0
84.08139	7.5
85.02907	1.5
86.00642	0.4
86.09702	100.0
87.05591	1.2
87.10034	2.6
87.10506	0.4
88.03975	0.9
88.57864	0.3
89.07140	0.7
91.05781	3.1
93.07032	0.4
96.04515	0.4
97.02896	1.0
97.06475	0.4
101.07127	4.9
101.93142	0.4
102.05523	1.2
103.05485	0.5
106.19848	0.3
107.04971	0.6
110.06033	1.5
110.07134	1.8
112.08731	0.7
115.08700	4.4
116.07070	2.1
117.03346	0.4
119.04937	1.0
120.05277	0.5
120.06611	0.3
120.08096	7.3
121.02896	0.8
121.08423	0.9
127.03870	0.5
127.08686	0.4
129.06595	4.2
129.10243	6.2
130.05006	3.6
130.06480	0.4
130.08559	0.3
131.11818	2.4
132.10197	15.3
135.04428	0.3
136.07539	3.2
137.06015	0.6
141.10231	1.1
143.08147	3.1
143.11801	6.3
144.06537	3.0
145.02846	1.0
145.04916	0.7
147.04404	1.3
147.07629	5.0
147.11243	0.6
152.07092	0.6
155.08171	0.5
157.13356	12.9
161.09210	3.4
164.07054	0.5
165.05440	0.4
166.08670	1.1
167.05563	1.4
169.13347	0.6
171.11269	1.9
171.14966	1.2
175.03838	0.7
176.04372	0.5
177.05463	1.7
177.10248	0.5
181.04924	0.4
184.92082	0.4
185.12846	22.2
186.13300	0.5
187.10773	0.4
189.12346	11.2
189.13991	0.7
191.11852	0.7
196.09720	0.6
196.14398	0.8
197.12802	1.7
199.14458	0.9
199.18057	0.7
200.10342	1.6
203.13908	1.0
207.06549	1.6
208.06943	1.4
211.14482	1.3
213.12421	0.5
213.15901	0.4
214.15494	0.8
215.13989	1.5
217.11821	1.2
218.12192	0.5
225.04378	0.6
225.12376	1.0
227.17526	0.4
228.17865	0.4
229.11856	1.0
242.14973	8.5
242.18668	0.6
243.13399	1.6
246.14374	2.1
250.08000	0.5
253.19179	0.6
256.16562	6.8
260.16040	15.1
261.14328	0.5
270.14746	0.8
270.17789	0.4
274.17651	1.1
285.19336	1.3
298.21274	1.3
306.13446	0.5
312.12079	0.5
313.18674	3.8
314.16980	0.5
331.19800	3.6
335.69217	0.5
355.23398	0.9
359.02698	2.2
391.63153	0.3
411.97571	0.5
416.24689	0.5
426.21844	0.4
426.27380	1.5
444.27673	3.2
445.21301	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	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01874	7.4
57.03438	16.3
57.07076	1.2
59.04993	1.6
60.04531	0.6
61.02926	14.5
69.03429	36.3
70.05586	1.2
70.06005	1.7
70.90203	0.5
71.01365	3.5
71.05002	1.8
71.08631	0.7
73.02917	63.0
81.03415	6.7
85.02905	100.0
87.04466	3.7
91.03942	3.3
94.50667	0.6
97.02891	58.7
99.04454	4.1
101.02396	1.1
103.03959	2.9
109.02882	9.4
115.03931	26.6
120.08199	0.6
123.04481	0.6
127.03918	31.0
133.04965	39.3
143.03580	0.6
145.04958	46.7
146.05328	0.6
150.07643	1.6
153.05632	0.6
163.06015	28.2
193.05057	1.7
199.06076	1.6
217.07179	1.6
223.05966	5.4
241.07063	7.2
259.08163	7.6
277.09094	0.9
293.19537	0.8
295.10306	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	443.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.3
67.05462	0.7
69.03396	0.3
69.07023	0.6
70.06548	0.6
70.80479	0.6
70.80825	0.2
71.20808	0.2
72.08117	0.2
79.05472	0.5
81.03386	0.3
81.07003	0.8
83.08584	0.2
84.04461	0.3
84.08092	0.3
85.02859	0.4
86.09708	3.2
91.05463	0.5
93.07031	0.4
95.08578	0.5
97.02900	0.2
97.06465	0.3
99.08028	0.2
105.06990	0.4
107.08571	0.5
109.02828	0.3
109.06496	0.3
109.10084	0.6
111.04390	0.4
117.07049	0.2
119.01859	0.6
119.08540	0.5
121.10079	0.5
127.03893	0.3
131.01889	0.2
133.10083	0.3
137.05890	0.3
137.09612	0.3
139.46100	0.2
146.11746	0.4
147.11510	0.3
151.07478	0.5
155.01775	0.3
157.13307	0.5
161.02951	0.4
161.05922	0.3
165.09106	2.6
167.07002	0.3
170.05908	0.2
173.02974	0.4
185.04230	0.4
185.12836	0.5
195.13551	2.4
205.12624	0.5
212.80080	0.2
214.18036	0.3
223.12991	0.9
227.05237	0.7
241.12830	0.2
259.20169	0.7
271.04297	0.6
331.15848	0.3
339.17841	0.5
357.18829	10.6
358.19147	0.4
375.18784	0.7
381.18747	0.6
389.24124	0.3
397.70743	0.2
399.19888	41.5
400.20258	1.4
443.18875	100.0
444.19299	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	443.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	16.2
55.01866	9.0
55.05504	28.6
55.51487	2.9
57.03425	25.4
60.65015	3.2
61.02617	3.4
61.02922	57.9
65.03935	4.4
67.05499	60.5
67.93938	3.2
69.03423	38.7
69.06745	3.3
69.07051	22.8
69.40132	28.8
70.06573	13.8
70.24342	3.4
71.04981	12.1
72.08160	6.5
73.02913	19.0
73.06521	3.0
79.05491	93.0
81.03416	34.0
81.07047	69.1
83.04970	21.3
83.08595	9.8
84.04469	4.7
84.08145	9.2
85.02899	51.8
85.06529	7.0
86.09692	34.8
87.04449	9.0
91.03961	22.3
91.04443	3.4
91.05467	77.8
93.07037	100.0
95.04960	28.6
95.08602	39.2
97.02879	44.4
97.06525	9.6
98.36237	3.1
99.04438	14.6
101.02374	12.1
103.03922	9.6
105.04528	3.5
105.07030	64.4
107.04950	13.7
107.08588	32.8
109.02860	18.6
109.06509	13.4
109.10155	13.9
111.08161	3.5
115.03976	3.1
115.05431	6.0
117.07013	24.6
119.04924	4.3
119.08573	38.0
121.06492	9.8
121.10107	14.0
123.08089	8.4
123.11678	4.7
127.03894	26.2
128.06259	3.7
129.05475	4.4
129.06978	28.6
129.10204	3.9
131.04919	4.4
131.08565	17.4
133.06503	6.1
133.10120	16.2
135.08067	4.9
135.11649	5.4
137.05986	4.4
137.09604	9.6
142.48634	3.2
143.08542	25.9
145.04916	10.2
145.06140	4.6
145.10103	12.4
147.07973	6.3
147.11684	53.7
149.09612	6.6
149.13196	3.6
151.07516	3.9
159.08034	3.6
159.11572	5.2
161.09618	9.6
161.13219	18.5
163.11128	5.8
165.09103	40.0
169.10149	4.3
171.11671	37.5
172.12154	3.5
173.13196	5.4
173.84503	3.3
177.12689	4.4
183.06458	6.1
183.07982	4.6
189.12726	22.4
207.13777	43.3
225.14655	5.0
281.17462	64.8
287.16580	7.0
357.18747	5.7
389.19485	4.4
399.19812	13.4
405.55347	3.5
443.18466	30.7
443.28168	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	441.3724
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05504	2.4
55.33686	0.6
56.23905	0.5
57.07055	0.9
61.60655	0.5
67.05502	5.4
69.07069	5.5
70.71414	1.6
75.09793	0.5
79.05478	2.2
81.07056	9.5
83.08610	1.7
91.05459	1.4
93.07047	6.0
95.04968	0.7
95.07993	0.8
95.08601	14.9
97.10175	1.1
103.03905	0.5
103.58250	0.5
105.06989	2.7
107.08587	10.2
109.06474	0.8
109.09394	0.7
109.10153	12.5
111.11725	1.7
119.08603	2.5
120.15127	0.5
121.06515	2.0
121.10141	7.6
123.08064	1.5
123.11701	10.9
125.09695	0.6
131.08539	0.7
133.10095	1.7
135.08009	3.0
135.11710	5.7
137.13240	3.0
144.50711	0.5
145.10098	1.4
147.08110	0.5
147.11684	1.7
149.09648	2.1
149.13268	5.5
151.11150	0.5
153.73528	0.5
159.11694	1.0
161.09677	1.3
161.13260	1.3
163.11191	1.4
163.14815	1.6
168.99144	0.5
171.11678	0.7
173.13219	0.8
175.11140	0.8
175.14818	1.2
177.12720	0.6
177.16365	0.7
187.14795	0.8
189.16412	0.9
201.12718	0.5
203.17944	0.6
205.15862	1.1
205.19527	2.2
231.17444	0.6
243.17371	0.6
249.86511	0.6
281.45831	0.5
287.23718	1.1
301.25223	4.2
441.37256	100.0
442.37543	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	443.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05037	0.8
56.96542	0.3
57.05802	0.3
60.04517	0.4
60.05645	6.6
61.65340	0.2
66.57185	0.3
67.05497	0.3
69.07064	7.9
69.80272	1.3
70.00845	0.2
70.06587	24.7
70.13206	0.2
71.04996	0.5
72.08152	7.5
81.03416	0.3
82.94289	0.2
83.84203	0.2
84.04503	0.6
84.08145	1.4
85.02901	0.3
86.09701	100.0
87.09487	0.2
87.10020	1.2
89.47202	0.3
91.05487	0.3
95.06068	0.3
97.07684	0.4
98.06017	0.3
102.05547	0.3
110.07179	0.5
112.08730	3.3
113.07139	0.7
114.10282	0.6
115.08686	3.8
116.07085	10.0
120.08104	0.9
121.08472	0.6
128.10718	15.2
128.11807	1.0
129.10239	0.6
130.04907	0.2
130.09755	3.0
131.11778	0.4
133.09706	0.7
136.07603	0.4
151.28815	0.3
152.75232	0.3
155.11809	0.4
156.10188	1.4
156.11314	6.8
157.10846	0.5
158.09239	7.0
158.10545	0.3
163.03899	0.4
169.09557	0.3
175.11894	16.3
177.05403	0.3
183.11317	0.5
186.12514	0.3
187.10796	0.6
193.72282	0.2
199.18094	0.5
201.12378	0.5
215.13992	0.5
226.15532	0.5
229.11861	0.8
229.15495	0.9
253.16745	0.5
254.14751	0.4
263.16431	0.3
269.18628	0.9
271.17624	8.3
281.63400	0.2
288.20267	1.0
298.18655	0.3
328.18689	0.3
338.76062	0.3
357.70230	0.2
425.28745	0.7
443.29752	79.6
444.30045	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	441.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05515	2.5
56.05035	1.1
60.04510	0.6
67.05504	0.6
69.03443	0.5
69.07054	1.8
69.39837	2.9
70.06589	25.9
71.06891	0.6
72.08152	41.7
73.08503	0.4
74.06077	0.3
79.05488	0.4
81.03438	0.5
81.07054	0.6
81.84486	0.4
83.08620	0.6
84.04501	4.4
84.08144	3.6
85.02886	0.4
85.08528	0.3
86.06059	0.4
86.09702	100.0
87.10036	1.0
91.05483	1.0
93.07030	0.7
95.04945	0.4
98.79900	0.4
100.11260	1.3
101.07131	0.4
102.05539	3.4
103.05468	1.3
105.06971	0.4
107.04963	0.7
107.08600	0.6
109.02891	0.4
109.10114	0.3
110.07148	1.6
115.08632	0.4
116.07088	39.7
119.04963	0.3
120.08099	27.0
121.08396	0.4
121.10155	0.3
122.06046	0.4
127.03969	0.4
129.10222	2.4
131.04881	0.3
136.07597	1.9
137.06009	0.7
142.12300	0.8
149.05922	0.7
149.09602	0.4
152.07118	0.5
156.13817	1.1
159.09154	0.4
166.08643	3.0
169.13382	0.7
173.81026	0.3
183.14989	0.9
184.07242	0.3
185.16489	31.6
186.09090	1.8
186.16818	0.8
197.12816	0.5
199.18025	0.8
201.12309	2.4
204.10161	0.5
210.14864	0.7
211.14410	1.1
213.15971	50.3
214.16399	1.5
215.14021	0.5
227.17442	1.7
229.12065	4.0
229.15462	27.0
230.15785	0.8
231.11354	1.7
234.80278	0.4
243.04825	0.8
249.12340	4.9
249.15163	0.4
249.16011	0.5
261.14920	0.5
269.18695	0.6
272.00961	0.3
277.11807	3.3
281.22302	2.3
287.03720	8.3
289.05267	4.7
326.24384	7.1
326.62729	0.4
327.24646	0.4
328.18747	0.8
331.19000	0.4
343.61356	0.4
349.59338	0.3
397.18176	2.1
398.18863	0.5
423.16223	1.9
441.17255	12.3
441.35144	1.5
442.17609	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	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.63622	4.1
55.05495	14.0
57.07075	4.8
67.05489	14.2
69.07068	28.7
70.42854	9.1
70.43221	7.7
79.05483	13.8
81.07038	27.0
83.08624	5.8
83.83234	3.8
91.05480	11.0
92.00095	4.1
93.07048	20.0
95.08601	49.2
105.07019	13.1
107.08594	34.1
109.10155	39.0
111.11738	7.5
111.59361	3.9
119.08607	23.1
121.10144	47.3
123.11686	16.6
131.08574	10.3
133.10123	18.7
135.08058	12.6
135.11685	14.1
137.13281	8.7
143.08620	4.1
145.10138	17.6
147.11722	10.6
149.13249	6.4
151.14845	11.3
159.11752	13.4
161.13258	10.4
163.11159	4.6
163.14845	8.7
165.11232	3.8
171.11516	10.1
173.13219	11.1
175.14801	12.2
183.11716	5.9
185.13326	7.7
185.14955	3.6
187.14856	11.5
189.16362	12.6
190.81671	3.8
191.17973	11.3
193.15773	4.9
199.14835	4.4
203.17903	6.1
205.15849	7.1
205.19492	4.8
217.19444	5.5
223.16931	8.5
227.18045	5.9
231.17415	8.5
235.16922	4.5
241.19467	7.2
245.22702	11.5
259.20590	7.9
271.20624	7.7
285.22049	4.8
301.76788	3.8
405.34988	9.8
423.30832	8.1
423.36197	100.0
424.36398	8.3
441.37527	36.1
442.37405	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	441.3728
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05505	6.4
55.09760	3.0
57.03093	3.0
60.25317	2.7
67.05502	15.3
69.07079	13.9
70.78503	8.7
79.05487	11.7
81.07053	35.0
83.08624	4.1
91.05482	7.7
93.07044	34.1
95.04964	4.4
95.08605	86.7
96.08909	3.2
105.07016	12.5
107.07960	4.1
107.08601	30.4
109.10158	83.9
111.08072	11.2
111.11700	7.5
117.48611	2.9
119.08581	8.3
121.10141	56.8
123.08051	5.0
123.11689	39.5
133.10164	4.2
135.08073	7.6
135.11713	19.6
137.13266	8.2
139.11183	7.3
145.10139	4.7
147.11742	4.9
149.09622	100.0
149.13257	30.7
151.11171	13.0
153.34161	3.4
159.11688	5.8
161.13290	3.4
163.11172	8.2
163.14806	22.5
167.10651	11.8
175.14908	4.4
177.12758	6.4
177.16393	4.1
185.50250	3.4
187.14954	5.2
191.17955	6.1
199.14841	4.0
203.14354	5.1
205.15923	29.6
205.19487	28.2
217.15833	6.8
217.19516	4.2
219.17412	13.7
219.21059	25.7
221.53923	2.9
231.77789	3.1
313.25143	3.6
423.36246	58.9
424.36359	4.6
441.37296	95.3
442.37158	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	441.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01860	3.1
55.05503	6.5
57.03419	2.1
57.07071	2.7
60.04522	1.2
61.02909	2.2
61.35643	1.1
63.65752	1.3
67.05501	6.1
68.99757	1.3
69.03432	11.8
69.07069	10.4
70.06593	11.6
70.86913	3.2
71.01302	1.1
71.04990	2.0
72.08147	9.8
79.05488	6.3
81.03405	5.8
81.07065	7.2
83.08615	5.0
83.90604	1.4
84.04490	2.1
84.08129	5.4
85.02907	17.0
85.06535	4.8
86.09732	8.7
87.00816	8.6
91.03974	1.3
91.05486	9.6
93.07042	9.9
95.04963	1.5
95.08612	17.4
97.02312	1.3
97.02897	16.6
97.06554	2.2
99.04440	3.4
99.08080	1.5
101.02378	2.5
102.05520	2.3
105.01859	9.3
105.06532	1.3
105.07051	14.4
107.04932	1.5
107.08594	22.9
109.02854	4.7
109.06487	1.7
109.10162	11.4
110.07156	1.6
111.08076	3.2
112.03996	1.3
113.02364	1.5
115.03936	2.4
115.08695	1.3
119.08578	39.2
120.08089	13.2
121.09338	2.3
121.10136	29.1
123.08075	2.9
123.11720	2.7
125.02336	5.3
127.03920	10.9
129.10210	3.6
130.01913	1.2
131.08563	3.7
133.10127	33.4
134.10855	1.4
135.08104	1.5
135.11693	8.8
136.07574	2.4
137.06004	2.0
141.05438	1.5
141.16479	1.2
143.03351	2.8
143.08624	1.9
145.04968	3.8
145.10133	8.0
147.11713	9.7
149.13219	4.2
151.07509	1.3
159.02873	4.1
159.11685	5.7
160.12415	2.2
161.13266	7.8
164.54268	1.5
171.11777	1.4
173.13290	4.3
175.14825	100.0
176.15083	1.9
177.16391	31.1
185.13252	1.4
187.14824	9.5
189.16386	1.8
193.15877	9.2
201.12360	1.4
205.15868	20.7
214.05272	1.5
229.03412	1.5
229.11882	2.5
231.04953	4.7
245.11644	1.3
249.06026	2.5
283.16922	3.1
301.17953	4.0
405.18976	3.0
423.20193	2.5
441.21213	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	441.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.5
56.96555	17.1
63.71764	3.6
67.05500	5.8
69.07118	4.8
69.85538	26.0
79.05469	4.7
81.03396	3.6
81.07054	18.9
84.04482	3.6
84.96012	7.7
91.05472	4.7
91.33025	4.0
93.01372	3.7
95.08590	7.5
98.97582	100.0
110.97540	5.9
111.14941	4.0
112.99111	14.8
116.98621	61.4
120.08102	3.8
121.10110	4.4
128.98631	8.7
131.00171	24.4
134.99648	20.0
140.98607	4.8
144.98140	4.2
145.10033	4.7
146.99625	3.8
149.01202	13.6
158.99669	33.5
162.99101	5.8
173.01218	16.2
177.00742	34.0
189.00661	4.3
191.02283	14.5
201.00804	5.1
202.98653	8.2
219.01811	15.8
237.02899	20.3
244.99741	11.7
320.33008	4.2
347.59436	3.9
355.14230	46.9
373.15323	49.3
396.16684	4.3
397.15256	37.9
415.16272	7.1
441.15598	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	441.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.5
56.96555	17.1
63.71764	3.6
67.05500	5.8
69.07118	4.8
69.85538	26.0
79.05469	4.7
81.03396	3.6
81.07054	18.9
84.04482	3.6
84.96012	7.7
91.05472	4.7
91.33025	4.0
93.01372	3.7
95.08590	7.5
98.97582	100.0
110.97540	5.9
111.14941	4.0
112.99111	14.8
116.98621	61.4
120.08102	3.8
121.10110	4.4
128.98631	8.7
131.00171	24.4
134.99648	20.0
140.98607	4.8
144.98140	4.2
145.10033	4.7
146.99625	3.8
149.01202	13.6
158.99669	33.5
162.99101	5.8
173.01218	16.2
177.00742	34.0
189.00661	4.3
191.02283	14.5
201.00804	5.1
202.98653	8.2
219.01811	15.8
237.02899	20.3
244.99741	11.7
320.33008	4.2
347.59436	3.9
355.14230	46.9
373.15323	49.3
396.16684	4.3
397.15256	37.9
415.16272	7.1
441.15598	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	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28483	0.6
52.60504	0.6
55.05505	0.9
56.05034	1.0
60.04531	0.7
60.57949	0.6
66.00914	0.6
67.05492	1.4
69.03419	1.2
69.07070	0.9
69.22609	7.7
70.06592	12.2
72.08158	6.7
79.05491	1.1
81.07050	1.0
84.04537	0.8
84.08157	3.3
85.02908	1.8
86.09705	17.7
91.05454	1.3
93.07038	2.1
97.02871	0.8
98.20822	1.7
105.07046	1.6
107.04971	0.9
107.08582	1.0
110.07157	0.7
116.07085	3.7
119.01920	1.0
120.08083	6.5
127.03955	1.1
129.10213	1.5
136.07593	1.0
152.07054	1.7
160.81953	0.6
161.02991	1.0
175.14900	0.8
183.15010	1.8
185.16521	2.9
185.29066	0.6
193.11974	3.6
197.12723	0.7
203.05376	0.9
211.14438	1.7
213.15987	4.1
227.05229	0.7
229.15451	3.0
243.04771	0.7
245.06293	3.6
271.04248	0.7
277.09576	0.7
289.05383	6.5
289.12363	0.8
328.22321	0.9
337.16306	1.0
343.61417	1.1
355.17261	8.1
379.17142	0.9
397.18335	54.0
398.18692	2.5
423.16211	1.6
441.17303	100.0
442.17587	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	440.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.2
57.07074	26.2
59.04990	1.4
60.55597	1.2
67.05502	1.7
69.51898	1.4
71.08631	24.2
73.06543	5.7
79.05527	1.6
81.07039	2.1
83.08640	3.2
85.10184	24.7
87.04463	2.3
89.06026	100.0
99.11734	2.7
100.30458	1.3
107.07076	3.4
115.05035	1.4
117.09134	2.0
124.64046	1.3
130.08617	4.2
130.17119	1.2
131.07025	1.6
133.08603	41.6
135.68683	1.5
141.16348	4.0
142.80742	1.2
155.78874	1.3
177.11243	14.5
184.07416	1.4
185.18993	3.8
195.12390	1.5
221.13751	2.5
229.21590	10.3
229.55437	2.1
239.14845	2.1
271.65298	1.2
273.24210	2.7
283.17548	12.3
423.33145	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	440.9235
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06594	3.1
71.58490	3.9
75.26846	1.5
87.30482	1.5
94.93018	13.6
136.43243	1.6
138.59605	1.8
186.91736	6.4
202.89091	100.0
212.85146	2.9
218.92218	2.8
243.83394	1.9
244.90134	4.6
246.88033	7.6
305.34528	1.7
306.90161	37.8
354.84991	2.4
393.54971	1.6
440.14194	2.4
441.09189	5.3
441.15384	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	441.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
56.05019	1.9
56.96553	2.5
60.04510	1.6
64.14525	1.1
69.03418	1.3
69.07066	1.4
70.02919	1.0
70.06207	1.9
70.06588	33.8
72.08148	16.9
74.06077	2.8
83.06071	1.0
84.04513	5.9
84.08138	15.2
84.96017	1.3
85.02892	3.6
86.06055	2.4
86.09701	24.5
87.05573	3.1
88.03974	3.8
89.03870	1.4
91.05483	6.5
94.06610	1.1
97.02892	2.1
98.97578	6.2
102.05545	1.6
103.05488	1.7
104.05324	1.6
109.02877	1.0
110.07192	6.3
110.97574	2.6
112.08740	1.2
114.05556	2.2
116.07125	2.0
116.98613	3.8
120.08096	8.7
128.50591	1.1
128.98589	4.5
129.10255	8.1
130.04965	1.6
134.99690	2.1
136.07570	5.0
137.05949	8.4
138.06305	4.3
146.99591	2.1
147.04398	2.2
152.07152	1.4
161.01277	1.5
163.03886	1.6
171.14984	2.4
177.05484	2.8
185.09247	1.3
187.10657	1.1
193.04984	4.1
196.06017	1.5
197.10358	1.2
199.14336	2.3
207.03343	1.4
213.08682	1.2
213.12477	1.4
219.01750	2.3
221.42464	1.2
231.13310	1.5
237.02762	5.9
242.10081	1.9
250.84050	1.1
278.13864	3.2
279.14133	7.6
309.06445	1.3
327.07346	9.8
423.13812	1.5
441.11502	100.0
442.11688	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	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05513	13.2
57.07064	7.3
67.05251	2.3
67.05511	24.0
69.07069	19.3
70.77885	6.5
71.08616	2.4
77.01281	2.1
79.05494	13.4
81.07052	60.1
83.08617	11.7
89.06024	6.8
91.05484	10.8
93.07046	26.5
95.08603	100.0
97.10169	4.3
98.63133	2.1
105.07015	29.5
107.08583	49.9
109.09441	1.8
109.10154	53.0
111.11710	2.9
112.02444	2.3
117.07055	3.0
119.08578	48.1
121.10146	45.5
123.11703	24.3
126.67702	2.2
129.06926	3.0
131.08568	6.2
133.08585	3.1
133.10129	29.6
135.11708	32.7
137.13257	45.1
145.10118	12.8
147.11688	35.5
149.13242	32.9
151.14838	6.9
153.09084	5.2
159.11665	14.1
161.13248	32.2
163.14825	22.7
171.11740	3.8
173.13177	10.8
175.14792	18.2
177.16377	7.9
185.13237	3.1
187.14833	18.2
189.16383	38.6
191.17937	35.9
193.12215	2.9
199.14722	3.0
201.16400	12.4
203.17957	63.6
205.19504	9.9
207.13802	3.5
213.16367	4.1
215.17975	8.5
217.19475	13.5
229.19553	6.6
231.13770	5.1
231.21051	10.7
235.16866	6.1
239.14833	4.2
239.65204	2.7
240.15195	2.4
241.19537	4.9
243.21066	10.1
245.22632	45.2
246.23035	2.6
249.18488	10.0
255.21086	13.0
257.22678	17.9
269.22729	6.8
289.21561	5.3
301.21655	9.7
315.23157	3.6
393.35086	22.9
421.34830	4.0
439.35782	62.1
440.36166	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	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	11.5
57.07062	9.3
66.04495	3.3
67.05499	22.8
69.07066	17.7
70.86586	5.2
70.86926	5.7
71.57159	4.0
79.05495	18.2
81.07047	50.3
83.08620	10.0
89.06026	5.1
91.05457	16.1
93.07035	32.8
95.08609	98.0
97.10183	8.8
105.07031	36.0
105.77712	3.7
107.08586	50.1
109.10158	46.3
119.08568	49.6
121.10140	42.3
123.11687	18.4
128.63756	3.9
131.08559	9.8
133.10126	48.1
135.11690	29.7
137.13237	25.6
145.10059	8.1
147.11671	43.8
149.13254	28.0
153.09038	5.3
157.10110	3.9
159.11693	10.1
161.13239	31.7
163.14815	13.6
165.92955	3.7
167.10693	4.5
173.13225	9.3
175.14754	16.7
177.16364	5.4
177.90280	4.4
187.14789	9.8
189.16350	40.3
191.17921	70.3
201.16330	7.9
203.17924	100.0
205.19539	13.3
215.17918	3.8
217.19518	9.1
231.21031	7.0
243.21117	4.9
245.22665	21.2
249.18457	20.5
249.34401	3.4
255.20984	4.1
257.22601	11.5
301.21536	5.0
393.35190	11.2
422.92734	3.5
425.26993	6.4
439.28268	3.8
439.29422	4.5
439.35681	37.6
440.29260	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	439.3568
Annotation	13,28-Epoxy-11-oleanene-3-one
Peak:m/z	Relative Intensity
51.55019	1.5
53.74416	1.8
55.05498	5.5
57.07081	1.9
67.05493	8.8
69.07067	10.3
75.53661	1.9
79.05490	4.5
81.07052	25.7
83.08604	4.8
86.26225	1.7
91.05439	8.9
93.07031	12.2
95.08604	30.2
97.10202	2.1
105.07044	10.8
107.08588	18.9
109.10160	12.7
111.11700	2.9
117.07025	2.8
119.08574	19.5
121.10133	20.5
123.08128	3.2
123.11690	18.1
125.13250	1.8
129.07007	2.7
131.08556	8.9
133.10146	13.9
135.11711	7.8
135.97598	1.9
137.13260	7.0
143.08551	14.6
145.10106	25.3
147.11668	9.1
149.13289	5.5
150.58638	1.7
151.14807	2.5
157.10091	11.9
159.11684	32.2
160.12068	1.9
161.13232	18.2
163.14789	3.8
169.10136	3.6
171.11687	10.0
173.13222	13.4
175.14777	4.9
177.16435	3.1
183.11719	4.7
184.07401	1.8
185.13220	11.4
187.14815	10.4
189.16412	5.8
191.17862	9.1
193.15891	3.1
195.11641	3.1
197.13295	4.7
199.14803	7.4
201.16379	3.8
203.17984	5.8
205.19589	2.0
209.13239	3.3
212.15646	3.1
213.16377	20.6
215.17950	69.3
225.16385	3.7
227.17970	6.8
229.19548	2.7
229.23192	2.8
231.17378	13.6
233.18988	29.4
239.18001	3.4
241.19469	10.3
255.21048	9.0
259.20554	5.4
265.19626	5.9
273.22269	2.4
283.20493	8.4
301.21518	6.0
398.04453	1.9
403.33597	5.3
421.34698	14.0
439.35739	100.0
440.36209	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	438.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84853	0.7
53.03935	3.5
55.01853	2.6
55.05512	9.0
55.87740	0.9
57.03423	1.8
57.07076	5.1
59.04979	3.5
61.02916	6.8
67.05502	2.1
68.99786	1.4
69.03428	11.5
69.07059	3.7
69.36591	7.1
70.06575	1.2
71.04978	4.3
71.08635	8.0
73.02903	1.8
73.06554	34.4
81.03413	9.9
81.07054	14.5
83.08619	5.7
85.02901	28.1
85.06535	5.7
87.00824	12.1
91.03896	1.0
95.08603	15.3
97.02885	12.1
97.10168	8.9
98.20731	1.6
99.04457	4.3
99.08120	1.6
105.01860	11.1
109.02867	7.5
109.10168	1.5
111.11716	1.8
113.13267	2.4
120.08093	1.2
127.03915	15.1
137.13246	34.1
145.04962	4.7
155.14294	100.0
156.14699	1.0
159.02925	4.0
173.15367	50.8
213.03871	1.3
218.63147	0.8
231.04988	2.1
293.27325	0.8
321.57281	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	438.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55611	1.1
55.05507	1.2
57.07076	6.0
58.06580	2.1
65.03928	2.5
67.05489	2.3
69.07045	1.6
70.06587	19.8
71.01749	2.1
71.08623	2.4
72.08147	1.4
79.05502	1.4
81.03441	1.5
81.07066	2.2
84.08162	1.2
85.10184	1.4
86.09695	2.3
88.07626	20.5
91.05501	1.4
93.07055	1.1
95.08674	1.3
97.10223	1.2
102.09164	15.2
105.07043	1.2
107.08584	2.0
109.10137	2.3
119.08588	1.4
120.32622	1.1
121.02826	1.0
133.52249	1.0
147.11717	1.7
149.02339	59.9
149.03426	4.2
173.01129	1.0
184.07410	1.0
185.73378	0.9
189.16264	1.0
193.04950	60.9
199.90834	1.0
220.83385	1.0
227.69652	1.0
228.23213	61.0
229.23601	2.0
237.07558	77.4
238.07964	2.8
266.11868	1.4
270.32907	1.2
272.25897	2.1
355.03720	1.0
425.62921	1.0
438.28497	100.0
439.28558	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	439.357
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.29415	4.6
55.05501	22.7
57.07051	14.9
67.05495	32.6
69.07069	36.5
71.08624	7.4
71.52234	7.5
72.82728	4.6
79.05479	8.8
81.07054	58.7
81.67914	5.0
83.08637	11.8
89.06035	42.0
91.05463	22.4
93.07043	36.2
95.08604	100.0
100.86147	5.2
105.07031	38.8
107.08588	76.7
109.10154	69.7
111.08063	24.6
111.11723	6.2
117.07005	7.1
119.08573	60.4
121.10126	56.7
123.08047	11.1
123.11698	83.6
131.08553	18.4
133.08568	20.0
133.10138	60.3
135.11714	29.2
137.09596	8.0
137.13225	14.2
143.08528	12.0
145.10077	27.1
147.11678	33.3
149.13214	18.0
151.14810	14.9
157.10132	19.4
159.11661	29.2
161.13248	23.1
163.14810	18.9
169.10106	8.3
171.11687	16.2
173.13248	17.0
175.14775	11.8
177.11194	6.5
177.16383	28.5
181.15788	7.7
183.11713	7.3
185.13293	14.2
187.14850	10.1
189.16264	25.9
191.17932	53.2
191.62859	5.8
197.13133	8.1
199.14854	9.7
201.16370	38.0
203.17906	45.5
205.19493	14.7
211.14882	9.3
212.15504	6.5
213.16330	10.4
215.17903	10.5
217.19604	12.7
219.17450	15.1
225.16541	6.9
227.17847	27.8
231.21260	5.7
239.14810	19.1
239.17387	5.9
240.15236	18.0
245.18961	23.1
249.18440	6.7
265.19656	8.9
269.22650	7.2
283.20602	13.6
311.27267	5.8
327.26855	33.6
393.35086	9.1
403.33514	20.9
421.34631	89.8
422.34210	5.9
439.35910	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.9715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93527	57.5
56.59647	4.1
61.00924	3.7
62.00719	4.6
62.04164	3.6
69.96185	27.8
70.95847	5.6
71.50901	6.7
71.93010	49.6
71.94090	43.5
72.93787	93.5
73.94588	8.5
87.97220	8.6
88.96910	4.9
89.94044	44.0
89.94543	4.7
89.94644	3.7
89.95123	27.2
90.94820	93.3
105.93512	23.1
107.95083	31.8
107.96165	6.5
108.95869	38.3
113.96424	6.5
118.94261	6.1
121.10056	4.0
123.94566	27.9
124.95367	5.8
125.96124	47.6
129.97214	8.2
129.98242	18.4
130.97881	5.0
131.95041	11.0
131.96149	18.5
132.95842	19.9
135.94574	5.0
136.95320	9.7
143.98724	7.0
145.96625	34.2
147.98183	7.3
147.99237	29.9
148.98924	9.0
149.96101	63.0
149.97217	41.1
150.96878	40.4
151.97668	13.5
155.99759	7.9
157.97710	77.0
159.95692	11.6
161.96098	73.5
161.99785	7.9
163.97655	40.0
164.94792	5.8
165.99226	32.7
166.00392	3.8
167.97128	31.0
173.96072	9.8
175.97351	7.9
175.98773	100.0
176.98489	5.6
177.96701	35.3
179.97139	27.6
180.99252	5.6
183.99356	4.3
184.97736	5.7
187.94112	8.0
188.02467	5.9
189.95663	10.1
190.00406	4.8
191.97118	50.7
193.99840	7.2
198.00812	14.2
199.98732	8.6
201.96709	14.4
205.95108	36.9
209.98224	7.3
213.99286	14.0
216.01910	12.3
217.99838	7.8
219.93057	9.2
219.96719	28.4
223.96329	7.9
226.00331	42.9
227.98293	4.9
237.93945	19.7
242.00093	5.4
244.01288	7.2
250.76424	4.7
260.00735	9.9
263.96793	8.0
269.99326	11.1
288.00327	9.6
303.99109	9.6
313.98080	6.4
329.96826	26.4
331.99222	7.6
347.97729	16.7
357.97409	7.3
393.98312	22.6
401.95868	7.4
419.97147	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	438.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79553	0.8
53.00297	2.2
55.01869	2.6
56.05027	4.0
57.03436	2.0
60.04521	2.8
69.03429	33.3
70.06593	9.8
70.97198	2.3
71.01345	2.0
71.04998	0.9
72.08143	4.5
73.02921	1.7
74.06071	1.4
79.05500	0.9
80.39452	0.8
81.03413	2.2
84.04501	5.8
84.08137	11.2
85.02899	16.4
85.53960	0.9
86.09708	7.9
87.05595	1.5
87.10039	1.0
89.03891	0.8
91.05482	1.6
97.02872	6.7
99.00813	5.1
99.04464	1.5
101.02390	2.2
102.05534	2.6
104.04991	1.4
104.05338	1.1
107.04934	1.8
109.02880	2.3
110.07173	4.1
112.08748	1.1
120.08120	4.7
123.04490	1.0
127.03909	18.2
129.10233	3.7
130.04982	1.7
130.06549	1.7
132.04445	24.0
134.05989	0.8
135.04430	2.7
135.08000	0.8
136.07541	1.9
137.05954	1.7
143.08168	1.3
145.04951	2.7
147.04344	1.0
148.03909	1.3
149.04730	1.2
150.05498	100.0
151.05865	1.6
152.07054	5.5
156.04420	3.4
156.07661	1.3
156.22664	0.8
160.03952	3.3
162.05537	1.0
163.03860	2.3
174.05508	2.5
178.04955	7.8
184.03926	4.0
186.05635	1.6
194.04587	1.9
195.05280	21.0
196.06068	8.7
202.04956	12.1
204.06490	1.3
206.04530	1.8
212.03435	12.1
214.05045	1.8
230.04489	22.2
230.06685	1.8
239.08167	1.4
248.05533	12.9
258.03934	4.4
276.05032	98.8
277.05344	2.2
294.06079	17.9
299.10251	3.3
392.09833	7.3
420.12308	1.9
438.10037	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	437.266
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
51.99330	4.0
55.05523	18.7
57.03413	11.3
57.07061	10.0
58.98039	3.2
67.05486	16.7
67.55329	3.2
68.46271	3.7
69.07058	26.1
69.25687	11.6
69.26105	27.1
71.08575	3.3
79.05481	8.3
81.07054	22.8
83.08619	20.7
91.05466	3.4
91.68971	3.5
93.07040	13.0
95.08587	21.7
97.10152	16.2
98.98463	85.7
107.08571	7.7
109.10107	7.6
110.38637	3.3
111.11668	4.3
116.99438	4.2
121.10120	12.2
135.11670	9.8
155.01001	20.9
173.02086	5.5
221.07030	4.2
247.24106	4.3
265.25308	16.3
322.91562	4.1
339.28928	100.0
456.52274	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	437.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01860	3.8
55.05507	8.2
57.03429	1.6
57.07060	1.8
67.05504	18.9
69.03426	8.3
69.07064	9.8
69.94527	2.2
69.94935	4.3
70.06571	3.4
71.04977	3.9
72.08151	1.8
79.05491	15.0
81.03403	12.3
81.07059	24.4
83.04996	6.6
83.08594	3.8
84.08143	2.2
85.02904	26.0
85.06538	2.0
86.09697	1.4
88.07651	1.4
91.05480	17.5
93.07036	21.0
95.04964	6.8
95.08601	14.5
97.02873	8.4
97.06514	3.6
97.10159	2.2
99.04456	3.0
101.99460	1.3
102.61150	1.3
105.07026	21.1
107.04948	7.3
107.08594	13.2
109.02870	9.2
109.06506	7.7
109.10149	5.2
111.08063	1.7
115.05461	1.6
117.07018	6.2
119.08585	12.1
121.06499	8.9
121.10132	7.7
123.08060	4.3
123.11655	1.7
127.03909	20.5
128.06194	1.3
129.06963	3.0
131.08585	15.1
133.06503	2.5
133.10127	13.5
135.08057	4.6
135.11697	4.4
137.09592	2.1
143.08540	3.6
145.04980	2.3
145.06482	3.3
145.10124	10.9
147.08041	3.4
147.11649	10.5
149.02371	2.2
149.09615	4.7
149.13277	2.4
151.11159	4.3
155.08543	1.9
157.10107	3.9
159.08046	4.8
159.11694	6.0
161.09615	4.9
161.13197	1.6
161.41327	1.2
163.11191	5.8
171.11659	2.7
173.09624	3.2
173.13268	4.5
175.11185	2.5
175.14783	2.2
177.12834	1.6
180.05783	1.3
183.11659	1.7
187.11143	1.8
189.88019	1.1
191.14372	2.1
193.05019	2.1
201.12808	2.1
203.53326	1.2
207.13832	2.1
209.07936	1.6
215.18060	2.2
219.13834	3.7
229.08528	2.2
229.19537	2.2
239.17987	3.1
247.20407	1.5
257.19012	13.8
275.20050	100.0
276.20416	3.4
293.21188	11.8
335.22195	2.2
350.21988	1.3
355.17633	1.2
375.93253	1.3
383.22241	2.2
401.23053	1.7
419.24078	7.6
437.25473	11.5
437.34415	2.2
438.28775	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	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04910	2.0
53.03939	7.0
53.46378	2.4
53.71650	2.2
55.01858	4.5
55.05502	9.3
56.05033	4.9
57.03433	2.9
57.07059	3.9
61.01124	3.3
61.02913	3.1
65.03931	6.7
66.04277	1.9
67.05495	11.3
68.99775	2.8
69.03428	13.8
69.07050	9.8
70.06592	26.4
71.05014	3.2
71.28581	4.9
72.08139	3.7
73.02890	2.7
79.05496	14.3
81.03429	14.8
81.06599	3.3
81.07058	58.9
83.08589	2.4
84.04485	7.1
84.08130	10.0
85.02899	31.7
85.06541	11.5
86.03220	2.7
86.09701	23.0
87.00813	9.3
91.05479	27.4
93.07043	100.0
95.04955	5.9
95.08611	28.9
97.02898	14.8
97.06537	3.2
99.04433	5.0
104.05305	3.1
105.01864	11.9
105.04540	2.4
105.07016	5.5
107.04941	9.1
107.07892	3.5
107.08598	61.1
108.05270	3.2
109.02861	10.9
109.06522	4.7
109.10152	12.3
119.04873	2.4
119.08569	5.6
120.08068	8.2
122.06042	2.7
123.04429	2.9
127.03921	17.7
129.10220	5.5
135.04457	2.8
135.11696	96.1
136.07571	2.5
137.05910	3.8
137.13255	32.0
138.85526	2.3
143.11824	4.0
145.04918	11.2
145.06622	2.7
145.10097	2.6
147.04367	2.8
151.77377	2.3
153.01801	5.7
159.02896	6.8
161.05966	2.8
167.07033	19.3
168.07417	11.3
172.05130	2.8
172.06839	2.5
177.05482	3.6
181.04977	34.1
182.05325	24.7
189.09369	2.8
190.77435	2.4
201.05049	2.5
209.53954	2.3
210.14824	3.9
214.05894	4.3
222.08459	2.9
231.06656	21.0
232.06865	36.0
233.08080	13.3
234.08452	21.5
252.09645	2.4
264.09448	3.9
273.07562	22.4
274.07953	46.6
278.24115	2.2
318.06189	2.6
347.02151	9.2
388.14807	6.4
400.14996	3.4
418.15833	20.6
418.21185	3.9
436.12567	6.9
436.18402	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	435.2504
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05511	22.6
57.03414	5.2
57.07062	4.1
67.05505	44.6
69.07063	26.8
69.87444	14.3
79.05502	13.9
81.07055	49.1
83.08610	11.0
91.05470	10.6
93.07061	14.7
95.04988	3.2
95.08602	45.1
97.06529	4.4
97.10168	6.9
98.98461	74.1
105.07027	7.7
107.08553	9.8
109.10153	13.5
119.08575	4.6
121.10168	8.4
123.11687	7.9
133.10118	7.7
135.11690	3.1
137.13350	2.8
147.11670	4.9
149.13235	3.6
155.01036	13.2
163.14793	3.3
164.74068	2.7
173.02083	9.5
245.22635	7.8
263.04037	3.0
263.23645	18.1
337.27335	100.0
387.75055	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	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48008	1.3
55.05507	2.3
59.04976	1.4
59.90654	1.1
69.03428	3.5
69.07074	2.1
70.06583	4.9
70.96401	3.3
71.04995	13.8
73.06554	3.3
79.05476	4.1
81.03419	1.5
81.07057	17.1
85.02905	5.0
86.09708	2.5
87.00838	2.6
93.07051	9.5
95.08611	3.1
97.02867	1.7
97.06482	2.7
99.04462	1.3
105.01874	3.2
107.04953	1.3
107.08582	8.8
109.10146	1.8
116.27599	1.2
120.08137	1.7
127.03895	2.2
135.11699	22.8
153.12741	100.0
154.13074	3.1
163.01334	1.2
167.06993	1.7
181.04962	3.5
210.15004	1.5
234.08305	1.7
349.52612	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97115	6.1
51.34625	5.9
55.05500	8.9
56.05014	8.2
56.96534	6.5
57.03441	6.4
61.02909	6.6
67.05502	15.4
68.96110	7.2
69.03415	22.6
69.07049	14.2
70.06587	100.0
71.04988	12.9
71.51383	7.2
72.08147	22.6
75.80953	5.8
79.05487	16.8
81.03408	20.8
81.07043	14.0
82.97879	5.6
84.04486	15.6
84.08138	26.5
85.02898	49.0
86.09705	51.5
87.00814	23.7
91.05497	31.5
93.07032	23.9
95.04973	7.3
95.08574	15.5
97.02895	22.1
99.03024	6.5
99.04470	10.2
105.01865	31.7
105.07033	10.4
107.04970	9.9
107.08568	16.7
109.02861	13.1
109.06548	8.6
109.10150	9.9
110.07163	18.3
119.04901	12.7
119.08593	10.2
120.08092	17.5
121.06478	16.2
121.10139	11.2
123.04382	10.9
127.03920	28.2
129.10248	10.3
131.08589	6.3
135.11664	12.5
136.07602	10.3
137.05960	31.7
145.04959	16.7
145.06375	8.9
153.12775	20.4
167.07048	29.3
168.07361	16.2
177.05251	7.6
181.04932	36.2
182.05315	23.4
219.05000	6.2
231.04919	8.0
233.08058	12.4
234.08389	23.2
270.28403	6.5
320.46521	6.0
350.17291	11.1
379.77139	7.4
392.94876	7.1
418.15704	13.4
431.69751	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85510	2.9
53.03933	10.4
55.01874	6.5
55.05508	14.8
56.05008	5.2
57.03441	5.3
58.06594	4.1
60.04519	3.2
61.02925	6.5
65.03949	5.1
67.05490	14.0
68.05011	3.4
68.99783	3.9
69.03427	30.0
69.07054	9.7
69.77934	14.4
70.06592	100.0
71.04981	7.1
71.06912	8.9
72.08150	75.7
73.02922	5.0
73.08485	3.2
74.06079	4.9
76.02219	3.7
79.05489	16.9
81.03423	21.3
81.07045	17.2
83.04941	6.7
84.04510	17.7
84.08147	37.8
85.02898	65.4
86.06048	3.6
86.09703	97.3
87.00833	18.1
87.10034	10.3
88.03977	4.9
91.05473	28.9
93.07043	80.0
94.55624	3.1
95.04948	9.6
95.06084	3.7
95.08610	27.9
97.02895	30.4
97.06522	4.3
97.33027	4.3
98.20874	3.8
99.04438	10.2
101.07117	2.9
103.05450	5.3
105.01853	33.9
105.07017	13.3
107.08596	93.6
109.02874	20.4
109.06519	6.4
109.10130	5.5
110.06037	42.2
110.07162	35.2
112.08704	6.5
115.03876	4.5
116.07127	5.2
117.07019	6.2
119.04907	5.1
119.08581	6.7
120.08102	56.0
121.06559	4.7
121.08390	6.1
121.10080	3.0
121.70034	3.2
123.04397	9.3
127.03918	51.6
129.01865	3.4
129.10257	24.0
133.10184	4.1
135.11690	55.0
136.07550	11.3
137.06017	6.4
138.05492	46.3
145.04950	23.3
145.10136	6.3
147.04420	4.2
152.07091	6.4
153.12747	5.6
156.07680	17.0
157.10208	3.3
159.02844	8.5
159.09172	3.8
159.11591	3.1
161.05913	5.3
162.05504	7.2
162.09207	4.1
167.07042	6.8
177.05475	5.2
181.04968	6.1
183.14926	4.2
185.16422	4.5
186.16820	5.3
213.12311	4.3
231.04976	11.6
257.04449	10.2
264.08627	22.8
274.10703	3.3
279.17093	4.2
285.12329	4.2
294.33704	3.6
303.05011	5.1
304.05298	17.2
418.21954	7.3
436.22968	12.0
458.27808	5.5
458.78000	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18728	1.5
53.03944	9.2
55.01862	6.8
55.05508	9.6
56.05019	4.4
57.03429	3.4
58.30064	2.2
59.04997	3.0
60.04514	2.0
61.02923	3.7
67.05490	6.6
69.03436	18.4
69.07073	11.3
70.06593	34.3
70.33146	6.5
71.04987	3.5
71.06926	2.5
72.08159	13.3
73.02894	6.2
74.06077	2.5
74.70192	1.5
79.05492	12.9
81.03416	22.0
81.07059	12.1
83.04985	2.2
83.06075	1.5
84.04498	7.3
84.08138	10.9
85.02906	55.8
85.06567	2.7
86.09707	29.3
87.00828	22.2
88.03954	1.8
91.05473	21.3
93.07044	84.7
94.07369	2.6
95.04980	8.0
95.08601	15.6
97.02891	25.1
97.06522	6.1
99.04440	10.4
105.01869	25.9
105.07030	9.5
107.04954	2.6
107.08590	100.0
109.02876	19.5
109.06516	1.9
109.10124	8.3
110.07151	6.4
115.08690	2.4
117.01849	2.6
119.08582	2.9
120.08102	14.4
121.06525	1.7
121.08409	2.4
123.04418	2.5
126.05464	1.7
127.03918	46.3
129.01799	2.1
129.10228	7.6
130.10614	1.7
131.08539	1.7
133.10150	1.8
134.06015	2.4
135.11690	60.7
136.07588	2.7
137.13252	1.9
145.04955	20.3
147.02861	2.8
152.07037	2.0
153.12769	5.9
159.02908	14.3
165.12738	2.3
167.07082	3.2
168.07285	2.1
177.10271	2.0
181.05031	2.4
184.07280	5.5
191.10472	2.1
198.31393	1.5
199.12329	2.7
199.75153	1.4
212.09485	2.8
227.11815	17.4
231.04980	10.0
243.13786	2.3
249.06111	1.8
255.11224	12.8
257.04205	2.1
269.12833	6.2
287.13885	4.5
297.12320	10.0
315.13437	22.2
418.22256	2.0
448.24762	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79011	2.8
53.03941	6.3
53.69651	3.0
55.01857	5.7
55.05509	6.0
57.03432	4.0
61.02919	4.0
65.03928	4.0
67.05495	6.1
67.54172	2.5
69.03437	15.8
69.07052	5.4
70.06580	23.2
70.78529	7.8
72.08162	7.2
73.02896	5.1
79.05477	17.9
81.03415	20.5
81.07051	15.8
83.81439	2.6
84.08144	8.2
85.02898	52.8
86.09691	17.2
86.69660	2.8
87.00832	21.0
88.74873	2.6
91.05479	24.9
93.07040	91.0
95.04975	6.6
95.08594	15.6
97.02912	20.4
98.21445	2.7
99.04466	7.9
103.85321	2.8
105.01864	21.1
105.04487	3.5
105.07021	10.0
107.04930	3.5
107.08586	100.0
109.02885	19.7
110.07173	6.7
116.61292	3.1
119.08607	3.3
120.08047	5.4
127.03905	41.8
135.10704	5.7
135.11687	70.8
136.07593	4.3
137.13226	7.1
145.04942	20.8
153.12637	3.1
159.02925	9.3
159.11790	2.7
167.07010	6.8
168.07457	3.8
172.05223	4.0
173.05533	3.7
177.07549	2.8
181.04951	4.0
219.06181	3.5
231.04898	7.9
233.08092	14.4
234.08380	24.6
264.09415	5.8
313.94556	2.9
398.12402	3.1
418.15576	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	435.1285
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
55.01871	0.9
55.05506	1.1
56.05038	0.6
57.03425	2.1
65.03938	2.0
67.01862	1.4
67.05499	1.4
68.99792	2.0
69.03423	1.9
69.07037	0.7
70.06590	6.5
70.13295	2.6
70.13674	1.0
72.08152	6.7
73.02913	0.7
76.06157	0.5
79.05484	2.3
81.03416	2.3
81.07075	0.7
84.04504	0.6
84.08136	1.6
85.02898	6.3
86.09706	8.6
91.05467	3.8
91.63393	0.5
93.03394	0.5
95.04970	2.5
97.02899	1.6
103.03902	0.5
103.05445	0.6
105.07028	0.8
107.04958	5.4
107.08599	0.5
109.02884	1.4
110.03685	0.7
110.07178	0.6
110.08260	0.5
111.04430	0.6
114.41373	0.5
115.05459	1.0
117.07053	1.0
119.04947	9.1
120.08087	2.6
121.02880	3.4
121.06516	1.6
123.04431	4.8
124.05215	0.5
125.02294	0.6
125.06015	1.4
127.03910	2.0
129.07018	0.7
129.10231	1.2
131.08548	0.8
133.06534	0.8
135.04488	0.8
136.07576	0.6
137.02307	0.6
137.05954	1.5
138.03085	0.8
141.01854	0.5
141.06924	1.0
142.02539	0.8
143.11823	1.8
144.05661	0.7
145.06465	2.4
147.04407	34.0
148.04729	1.0
149.05934	0.6
151.03905	1.3
153.01825	65.7
154.02158	1.5
157.06404	1.1
159.08031	1.0
161.05997	1.4
163.03896	1.7
165.01820	7.9
165.05484	0.5
167.07039	13.4
167.08447	0.9
171.02913	3.9
171.06543	1.4
171.11330	1.2
172.05197	2.8
173.06081	1.2
177.01875	2.5
177.05486	0.7
179.03406	0.9
180.99715	0.5
181.04955	25.2
183.02872	6.8
183.14960	0.7
187.07558	1.7
189.01782	0.9
189.05481	1.4
191.03375	4.9
191.10535	0.7
195.02882	19.4
196.03207	0.8
198.24524	0.5
200.04781	1.0
201.05521	1.3
203.03433	1.0
205.04875	0.6
205.08609	1.3
206.05733	0.6
215.03383	0.7
218.05714	1.5
219.02884	8.8
219.10185	1.6
221.08104	1.8
225.15782	0.7
231.02892	4.8
231.06567	1.6
233.04562	0.7
233.08083	15.9
234.08646	0.7
237.04033	0.6
243.02924	1.2
245.08098	0.7
249.03906	3.0
251.09097	0.7
255.06425	0.9
261.03915	4.3
263.09222	3.4
265.15448	1.5
273.07565	100.0
274.07880	4.2
276.96005	0.5
279.05099	2.2
279.16714	0.6
285.07538	7.8
297.07468	2.1
315.08624	4.1
339.08606	5.6
343.39929	0.5
351.08701	4.0
355.11707	0.9
363.08618	1.8
369.09610	1.7
371.15125	0.5
381.09564	2.0
387.14273	2.7
399.10651	1.8
399.14896	1.1
417.15765	7.2
435.12964	1.1
435.26010	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	435.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
54.68603	0.9
55.01870	2.4
55.05511	4.9
56.05031	3.2
56.55492	0.9
57.03423	2.4
60.04531	1.1
62.48145	0.9
65.03935	7.9
67.05502	3.4
68.99786	1.6
69.03432	6.8
69.07067	4.7
70.06592	43.2
71.04980	1.2
71.06931	1.0
71.57953	1.6
72.08154	46.2
74.06067	1.3
74.75946	0.9
75.05587	1.8
76.01006	0.9
76.04028	1.0
78.44939	1.0
79.05496	9.2
81.03418	6.1
81.07050	2.7
82.04202	2.8
84.04508	3.9
84.08142	10.1
85.02901	11.2
86.09706	59.0
87.10053	1.5
91.05482	8.4
93.03392	1.5
93.07034	2.7
95.04958	7.5
97.02892	2.4
97.06521	2.6
99.04500	1.0
103.05473	2.5
105.04514	1.1
105.07005	2.4
106.04125	1.7
107.04951	20.8
107.08570	1.4
108.02095	1.5
109.02876	2.6
109.06467	1.3
110.03660	2.7
110.07165	3.1
111.04439	2.8
112.08717	2.9
115.05474	2.3
116.07085	2.3
117.07021	4.5
119.04924	9.6
120.08110	18.1
121.02861	4.2
121.06508	2.4
122.05950	1.1
123.04433	8.7
124.05212	4.6
125.02338	1.2
125.05988	3.3
127.03866	6.2
129.07010	3.6
129.09354	1.6
129.10233	12.0
131.04910	3.9
131.08604	2.7
133.02856	1.1
133.06497	2.7
135.04416	1.2
136.07584	2.9
137.02451	1.1
137.05989	2.9
138.03143	1.6
141.06966	1.9
143.11790	10.7
144.05673	4.6
145.06487	10.0
147.04402	32.8
147.08067	1.4
149.05960	2.6
152.04681	2.0
152.07039	1.6
153.01828	53.9
153.05411	1.3
154.02193	1.4
155.04906	1.5
155.06024	2.0
155.07161	1.9
156.05627	1.3
157.06502	2.9
157.09766	1.2
159.04343	1.0
159.08038	3.1
161.06024	5.1
165.01840	7.7
165.05385	1.3
166.08665	4.3
167.07037	54.9
171.02867	3.5
171.06528	6.1
171.11259	6.3
172.05182	11.2
173.05954	6.7
175.07492	2.8
177.01860	3.4
177.05469	3.2
179.03491	1.4
181.04953	100.0
182.05334	3.0
183.02876	5.4
183.06558	1.3
183.14874	2.1
185.06061	1.3
185.16501	3.6
187.03847	1.3
187.07541	8.9
189.05476	3.9
190.06212	1.7
191.03392	4.4
191.07065	2.1
191.10611	2.3
193.08575	1.4
195.02898	16.6
195.06487	3.2
200.04707	3.7
201.05495	6.0
203.03374	1.4
203.07033	2.3
205.08609	3.8
206.05746	3.2
209.04462	1.2
209.08058	2.1
215.03485	1.2
217.08691	2.8
218.05698	7.0
219.02907	6.8
219.06384	2.2
219.10150	3.9
221.07996	6.1
225.16028	3.0
231.02881	3.3
231.06541	6.1
233.08072	61.1
234.08571	1.6
235.07556	1.7
235.09645	2.7
245.08055	2.5
248.08263	1.1
249.03836	1.3
251.09184	4.3
261.03973	4.5
263.06778	1.1
263.09158	13.9
265.08478	1.1
265.15607	5.4
270.18188	3.8
271.06113	1.5
273.07571	89.9
274.07944	4.5
279.17056	3.6
281.10327	1.8
285.07651	5.8
297.07556	1.6
306.08914	1.2
307.09521	1.8
309.07388	1.5
315.08640	2.5
323.09085	2.4
327.12259	1.2
331.07941	1.1
339.08630	5.1
339.12247	2.0
351.08630	2.4
355.11804	3.8
363.08640	1.2
367.11829	3.0
369.09485	1.6
371.14746	1.9
381.13687	2.1
387.14432	9.1
399.14859	5.1
417.10132	1.8
417.15485	30.4
418.15750	2.2
435.12314	3.6
435.26907	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09122	1.8
53.03967	1.6
55.01883	2.5
55.05510	4.5
56.04996	1.7
57.03435	2.3
59.04995	31.5
61.02927	2.3
67.05486	5.0
69.03429	5.5
69.45680	14.2
70.06593	18.0
72.08149	7.8
79.05493	21.6
81.03429	4.3
81.07047	13.2
83.04971	12.1
84.04483	3.6
84.08144	7.0
85.02898	9.8
86.09689	18.8
87.39755	1.7
91.05475	5.3
93.07052	5.7
95.04964	3.9
97.02890	4.8
97.06550	2.7
101.06026	9.7
105.07043	5.9
107.04954	16.6
107.08591	7.5
109.06512	8.6
109.10180	2.0
110.06045	6.8
111.04441	3.9
117.07028	2.3
119.08588	3.0
120.08134	6.6
121.06503	2.9
121.10136	4.4
123.04442	6.0
125.06078	2.8
127.03873	2.6
127.07561	6.4
129.05429	2.9
129.10219	3.4
131.08565	2.5
132.86993	1.5
133.10094	1.5
135.04414	22.7
135.11661	2.4
136.07564	3.2
137.05983	4.4
138.05510	9.6
145.10104	9.3
147.11617	2.3
149.05998	3.7
149.09612	15.1
151.11189	1.7
153.05516	4.0
163.11185	16.1
167.07083	7.2
169.12189	2.3
173.09618	6.0
177.09085	27.2
181.05023	2.0
191.10655	77.1
192.10915	2.2
194.88408	1.7
195.10207	5.7
201.64034	1.9
208.30003	1.7
219.10161	28.1
233.08028	2.5
237.11214	60.2
237.13504	3.3
255.12267	100.0
256.12683	2.0
264.08823	3.8
270.39728	1.8
303.04965	18.0
316.25909	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	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01865	1.1
55.05511	7.3
56.05022	4.6
57.03446	1.3
58.06597	1.0
59.04990	2.2
60.04517	1.6
61.02941	1.9
67.05497	1.3
67.83105	1.1
69.03432	5.2
69.07064	2.2
70.02969	1.0
70.06590	21.5
71.49994	1.2
72.08148	13.2
72.73590	1.0
73.08473	1.2
74.06061	1.7
79.05486	22.9
81.03423	2.3
81.07048	8.4
83.04977	71.2
83.06042	3.2
84.04494	6.7
84.08146	10.6
85.02899	13.7
86.09698	15.7
87.05599	1.8
87.10062	1.5
88.03996	1.9
91.05463	4.4
93.07052	2.9
95.04962	2.7
97.02876	5.3
97.06519	3.4
97.66369	1.1
100.57939	1.1
101.07124	1.0
102.05526	3.6
103.05450	1.4
104.05314	2.8
105.07008	4.6
107.04958	16.5
107.08566	2.3
109.02855	1.6
109.06517	9.7
110.07146	7.2
111.04366	1.0
112.08759	1.1
113.06024	1.2
113.07079	1.6
116.07119	1.1
119.04845	0.9
119.08640	2.4
120.08080	8.5
121.06514	2.0
121.10136	2.7
123.04401	1.7
125.03457	1.1
125.05989	2.9
127.03910	4.1
129.10217	8.7
130.05011	2.4
130.06541	1.1
131.08546	3.1
135.04411	54.1
135.08023	1.8
136.07579	2.5
137.05965	1.7
138.05513	1.3
138.09128	10.8
140.07100	1.2
145.04897	1.3
145.10118	4.8
146.06033	1.2
147.07867	1.3
149.05952	1.8
149.09602	6.3
152.07042	2.5
153.05437	5.9
155.08264	1.6
159.07945	1.1
163.03909	2.0
163.11174	2.8
164.07094	1.1
166.08627	16.7
173.09578	3.8
177.09100	4.6
187.10814	1.7
188.07106	1.9
189.08665	1.1
191.10664	100.0
192.11028	1.9
192.27023	1.3
193.12280	2.1
197.10698	1.2
201.09081	1.5
209.11699	9.0
219.10143	36.3
225.10245	3.9
237.11171	9.2
239.08252	1.6
240.08949	1.4
253.09683	9.1
255.12253	17.1
260.99600	1.3
272.15033	1.1
285.06744	3.2
295.10678	5.2
299.10172	3.0
300.12164	2.6
313.11880	1.5
368.18375	1.5
377.18958	1.7
434.14325	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	435.126
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.4
69.03426	0.8
69.54375	1.9
69.54810	1.5
69.69755	0.4
70.06579	1.2
81.03411	1.2
85.02886	0.7
86.09700	0.7
95.04961	0.5
98.20770	0.9
107.04940	0.8
107.08665	0.4
109.02882	0.4
120.20577	0.3
123.04457	0.6
126.99964	0.4
127.03905	1.1
167.07045	1.5
181.04955	3.8
185.04257	0.5
186.06563	1.0
187.07341	1.4
221.08073	0.4
227.05284	2.5
229.07101	0.4
233.08063	1.9
253.06128	0.4
263.08975	0.4
265.09232	0.5
271.04266	3.0
314.07352	0.9
334.09201	0.6
349.12503	6.1
373.12677	1.6
391.13614	43.8
392.13986	1.2
411.59790	0.4
417.15192	1.0
420.09958	0.5
435.12598	100.0
436.12985	2.2
451.69925	0.4
453.42612	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.17560	1.4
55.05512	10.3
56.05017	4.0
59.04991	1.9
59.32508	1.6
60.04512	2.6
67.05501	1.8
67.18905	1.8
68.27254	1.6
69.03436	10.1
70.06591	15.8
71.04987	1.7
71.09050	2.0
71.09386	2.9
72.08152	29.2
73.08471	3.4
74.06077	3.6
79.05495	18.7
80.16519	1.4
81.03412	3.3
81.07045	8.5
83.04979	73.2
83.06083	2.8
84.04478	7.6
84.08129	8.7
85.02898	9.7
86.09704	23.0
87.10035	2.9
88.03964	2.5
91.05457	6.6
92.04993	1.5
95.04958	2.9
97.02882	6.1
97.06490	3.8
99.04436	2.2
101.07112	1.5
102.05547	3.5
104.05312	6.0
105.07031	2.5
107.04935	10.1
107.08611	3.9
109.02846	2.6
109.06516	10.0
110.06036	53.3
110.07136	11.9
111.07494	1.8
116.07108	2.0
119.08553	3.0
120.08091	4.2
121.06464	2.9
121.10178	2.7
122.59052	1.5
123.04421	2.5
125.06008	2.9
127.03893	5.5
129.10217	6.4
130.04973	3.1
130.06581	1.4
131.08591	1.7
132.10225	2.8
134.06096	1.9
135.04405	37.1
135.08037	2.2
136.07588	4.1
137.05977	3.4
138.05498	75.1
145.10083	4.0
147.07941	3.1
149.09621	5.8
150.63768	1.5
151.07460	3.4
153.05470	3.0
158.08153	1.5
163.03984	3.0
163.11189	2.7
173.09615	4.1
177.09126	4.6
185.16486	4.0
187.10660	1.8
191.10660	100.0
192.10936	1.6
193.08545	2.0
193.12308	2.2
201.88556	1.5
209.11656	11.5
219.10167	36.6
237.11247	8.3
246.07690	2.1
255.12308	13.5
260.10468	1.7
264.08673	36.2
282.09698	7.1
310.15265	1.9
329.86783	1.6
347.88840	1.5
407.14630	1.9
434.16107	3.7
454.05038	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.0
55.01863	9.9
55.05495	3.7
57.03422	5.1
61.02911	10.3
67.05493	7.4
68.99802	4.4
69.03423	32.6
69.07064	72.9
69.66766	23.4
70.06580	14.0
71.04988	6.2
72.08137	3.3
73.02911	10.7
79.05508	4.2
81.03405	38.1
81.07053	18.9
84.04519	5.1
84.08147	8.1
85.02901	100.0
86.09681	9.7
87.00828	44.1
91.05446	5.7
95.04958	3.8
97.02895	66.4
99.04468	17.7
105.01862	46.1
105.07031	4.0
106.07372	3.4
107.08594	4.8
108.04497	4.7
109.02873	48.4
109.10144	7.7
110.07137	4.1
117.01852	6.8
120.08096	7.0
123.11691	33.8
127.03909	83.8
129.01845	3.6
133.69348	3.6
138.31677	3.2
145.04947	39.2
147.02898	5.4
151.11176	51.5
159.02907	19.2
181.04950	4.9
213.04001	4.9
231.04938	18.0
253.09296	3.4
266.45056	3.7
351.88721	3.9
399.16287	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	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
55.05505	6.5
56.05021	6.8
57.03424	3.1
59.04992	2.7
60.04520	4.4
60.14044	2.5
67.05488	5.0
68.05051	2.4
69.03411	6.4
69.07045	5.0
69.59742	17.8
70.06586	30.4
72.08154	20.6
73.02888	2.9
74.06062	5.2
79.05484	14.4
81.03397	4.1
81.07047	6.3
83.04966	21.8
83.06069	3.2
84.04501	9.9
84.08154	15.5
85.02905	23.5
85.06535	2.7
86.09702	32.3
87.10025	5.7
88.03944	3.1
91.05479	7.5
93.07043	3.6
97.02873	8.0
97.06525	6.8
98.20772	4.8
104.05316	4.2
105.07008	5.6
107.04943	15.5
107.08576	3.1
109.02866	3.2
109.06583	3.0
110.07140	5.4
115.08730	2.6
116.07072	3.7
119.04906	2.9
120.08109	9.8
121.06501	8.7
123.08062	3.2
125.05991	4.0
127.03928	5.6
129.10228	6.4
131.08521	4.6
133.06514	3.9
135.04399	12.0
135.08025	5.8
136.07541	5.9
137.05917	2.9
138.05643	3.0
140.07022	2.7
145.04955	4.9
145.10086	5.3
149.05962	3.4
149.09625	17.8
151.07518	3.1
153.05449	10.7
159.08031	5.9
159.11333	3.1
161.05956	6.2
161.07112	2.6
162.05388	4.0
163.03888	5.3
163.05943	2.3
164.07027	2.8
166.12267	2.5
167.07040	14.3
175.11177	4.2
175.92725	2.5
177.09109	20.7
179.06979	15.8
181.04781	3.4
187.10864	2.7
188.43634	2.4
191.10626	19.0
193.08600	35.4
195.10109	3.4
201.12256	5.3
206.05582	7.3
209.11777	6.7
219.10164	35.2
237.08792	5.1
237.11209	100.0
238.08354	2.8
272.11285	5.2
285.16370	3.1
290.11728	2.4
330.27576	2.5
434.15314	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.05499	8.1
56.05027	6.4
57.03402	3.5
59.05000	2.8
60.04504	3.9
61.01173	3.2
61.36047	2.3
61.56972	2.3
63.06949	2.3
67.05497	3.6
69.03399	10.0
69.07069	3.3
70.06590	44.7
72.07819	3.6
72.08156	37.8
74.06065	7.2
79.05491	14.8
81.03397	2.7
81.07035	10.0
83.04980	29.0
83.06086	4.1
84.04491	15.9
84.08138	26.3
85.02908	31.3
85.06499	4.2
86.09695	42.5
87.05583	2.8
87.10027	7.1
88.03991	5.4
91.05463	12.1
93.07025	6.6
97.02875	7.0
97.06508	3.7
98.20679	4.5
101.07104	2.2
102.05515	4.9
104.05372	3.4
105.07009	10.1
107.04956	16.5
107.08562	5.0
109.02852	4.9
109.06500	6.0
110.07162	17.4
115.08611	3.4
116.07115	4.3
119.04945	3.5
119.08559	4.3
120.08125	13.4
121.06478	8.6
121.08384	3.4
121.10128	6.5
123.04402	5.7
123.08054	6.5
125.05987	4.9
127.03920	28.6
128.04303	13.7
129.10211	15.6
130.05005	4.7
130.06516	4.6
131.08511	5.1
133.06445	3.5
135.04395	17.2
135.08046	5.3
136.07571	9.6
140.07094	3.2
145.04916	6.5
145.10066	6.0
146.05998	2.8
149.05957	4.7
149.09608	22.1
151.07458	4.1
152.07074	4.9
153.05437	10.2
154.07166	2.5
159.08012	7.2
161.05923	9.2
163.03893	9.3
163.06133	3.6
163.07521	4.8
167.07016	10.6
173.09557	5.3
175.11093	3.0
176.04547	15.4
177.05461	2.9
177.09077	27.2
179.07039	18.4
181.04964	4.2
187.10872	3.2
188.07086	3.1
191.10648	24.5
193.06848	5.1
193.08595	88.6
201.09131	3.4
203.10260	3.2
208.07240	2.6
209.11748	7.1
219.10172	50.3
230.24040	3.0
231.09674	3.2
237.11201	100.0
238.11411	3.3
405.14301	2.6
409.85455	2.6
417.14319	3.7
434.16431	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	434.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65068	0.3
52.36264	0.3
53.03930	0.7
55.01870	0.4
56.05023	0.6
57.03444	0.6
60.04501	0.6
65.03931	2.0
65.83955	0.3
69.03430	5.4
70.06589	3.8
71.05006	0.7
71.56425	0.7
72.08150	2.8
73.08496	0.3
74.06077	0.7
81.03411	3.0
83.01354	0.4
83.06105	0.5
84.04507	1.6
84.08141	2.4
85.02902	2.7
85.08480	0.4
86.09705	3.5
87.04476	0.6
87.05593	0.3
91.05491	0.3
92.04963	1.9
97.02885	6.2
99.04446	2.0
102.05522	0.6
107.04937	0.6
109.02859	2.7
110.06035	65.8
111.06381	0.9
116.07083	0.4
117.05485	0.9
120.04475	0.3
120.08088	0.4
127.03910	5.0
129.10213	2.0
130.04912	0.4
135.04414	0.5
136.07603	0.8
138.05493	100.0
139.05798	1.7
163.03877	0.4
180.06519	2.1
191.10716	0.6
202.08574	0.4
218.08052	0.4
219.10133	0.5
228.06615	1.0
234.07593	0.8
246.07588	2.3
246.53040	0.3
264.08661	50.7
265.08984	1.8
282.09714	5.8
416.15515	0.5
424.72070	0.4
434.16687	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	434.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36157	0.7
55.05510	1.2
56.05038	5.0
56.59542	0.8
56.96547	1.1
57.03412	1.3
61.01149	5.1
63.93709	0.8
67.05498	2.4
69.03441	0.8
69.07053	0.9
70.06594	10.7
71.04980	2.4
71.06939	0.8
71.57866	1.2
72.08143	3.4
74.06077	2.1
79.05489	1.3
81.03397	1.7
81.07080	1.1
84.04500	28.4
84.08137	6.2
85.02885	4.5
86.09705	100.0
87.10023	1.2
89.04266	1.6
91.05476	3.6
93.07021	1.0
95.04961	1.2
97.02871	1.1
97.06527	1.0
98.09711	1.3
102.05531	9.9
103.05464	1.4
104.05317	6.8
105.07039	2.0
107.04941	2.7
107.08556	1.3
109.06499	0.9
109.10172	2.3
110.07160	3.5
116.07094	3.3
117.03358	0.9
117.06998	1.0
120.08102	6.5
123.04411	1.1
127.03869	1.6
129.10219	4.0
130.05040	1.0
135.04404	0.9
136.07594	2.2
137.05963	1.4
144.06564	21.5
145.06537	0.9
159.04477	1.0
159.09273	0.8
160.04239	0.9
161.05954	1.2
162.07620	36.3
167.07054	5.2
172.11639	1.0
177.05449	1.2
179.11734	1.8
181.04932	9.4
182.05402	1.9
195.06570	0.9
207.06401	1.0
217.13779	1.0
221.08028	1.5
226.70958	0.8
227.12111	2.4
228.07887	1.1
233.08109	4.2
245.13245	1.3
255.11636	7.5
271.09665	2.5
273.12674	2.4
275.16025	4.0
287.05423	2.6
288.05881	4.3
344.48016	0.9
404.14154	2.2
416.18503	5.4
417.15408	2.8
429.06946	1.0
434.25391	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	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
56.05021	2.4
60.04512	1.7
65.03914	1.7
67.05492	0.8
68.64452	0.8
69.03420	8.8
69.07059	1.0
70.06593	11.9
71.04989	0.8
71.20214	1.4
72.08155	12.0
73.08492	1.1
74.06063	2.4
79.05481	1.3
81.03411	4.0
81.07024	0.9
83.04990	1.9
83.06087	1.0
84.04504	4.7
84.08148	7.5
85.02873	2.1
86.09706	10.9
86.10202	1.4
87.05585	1.2
87.10036	1.4
87.96922	0.7
88.03967	1.5
91.05492	1.6
92.05029	2.1
97.02885	5.5
99.04447	2.2
101.07127	1.1
102.05492	1.6
104.05357	1.6
107.04942	2.0
109.02850	3.1
110.06037	73.9
110.07220	2.6
116.07104	1.8
119.04920	1.1
120.08103	3.0
127.03918	5.3
129.10234	2.9
130.04984	1.5
130.06512	1.6
130.08658	0.8
132.08095	1.4
135.04428	2.8
136.06210	0.7
136.07584	2.4
138.05493	100.0
139.05875	1.8
152.07062	1.1
156.97177	0.7
159.07724	0.9
159.09123	1.4
163.03879	1.2
169.07605	1.3
170.06004	0.9
173.09291	0.9
173.12848	0.9
176.57809	0.8
180.06516	1.9
188.06952	0.7
190.08652	0.8
191.10675	3.3
201.12448	0.7
203.06662	0.7
218.08261	0.8
219.10159	1.7
228.06593	1.4
237.11192	3.1
239.08369	0.8
246.07677	2.3
264.08652	46.4
265.09012	1.0
272.11542	0.8
273.13620	1.2
282.09763	11.0
361.99234	0.8
434.16260	6.1
453.21817	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	433.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.05516	34.3
58.43232	3.5
59.04997	53.7
67.05501	12.7
69.03440	5.8
69.07052	7.0
69.57591	28.1
79.05492	17.8
81.07058	17.1
83.04998	5.3
85.06028	6.2
85.06540	100.0
90.89275	3.6
91.05485	42.9
93.07040	28.9
95.05003	4.1
95.08578	17.3
99.08113	4.8
105.07030	42.2
107.08590	24.0
109.06501	10.0
109.10155	20.6
111.08065	12.5
115.05457	4.4
117.07028	19.2
119.08579	73.3
121.06500	7.5
121.10132	22.9
123.08139	7.8
125.09618	21.1
128.06197	6.1
129.07021	10.5
130.07808	4.2
131.08588	23.5
133.10124	25.1
135.08037	8.5
135.11691	8.2
137.09625	26.1
140.77576	3.2
141.07014	5.3
142.07771	11.2
143.08572	23.0
145.10094	31.1
147.08008	4.7
147.11690	7.8
149.09569	5.3
151.11157	30.6
155.08543	11.4
156.09393	9.9
157.10132	28.0
158.10907	4.4
159.11731	16.4
163.11176	7.5
167.08546	5.2
169.10143	15.7
171.11674	17.5
173.13272	3.8
175.11237	4.3
179.08574	5.7
181.10046	8.0
183.11688	16.2
185.13243	10.3
189.12732	7.2
193.10190	5.2
195.11746	9.3
197.13254	9.5
206.10912	6.2
209.13269	12.7
211.14751	5.1
214.08032	4.4
215.14291	4.7
221.13239	8.5
223.14804	6.3
235.14842	5.3
249.16467	4.2
369.50528	4.4
388.45233	3.7
433.31006	6.1
437.18475	3.6
458.39517	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	433.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69788	4.6
53.03938	8.8
55.05516	33.9
55.23607	4.8
57.07083	5.2
59.04996	64.5
63.45371	4.0
64.76088	4.4
67.05499	22.1
69.03413	4.5
69.07047	9.9
69.29115	10.6
69.29538	40.6
79.05476	16.0
81.07043	11.0
83.04963	7.5
83.08601	7.0
85.06541	100.0
91.05483	39.9
93.07044	35.3
95.04963	8.1
95.08592	26.1
97.06502	6.3
99.08059	8.3
103.05477	4.5
105.07037	47.7
107.08611	23.7
109.06490	11.4
109.10135	16.9
111.08064	10.9
117.06998	17.6
119.08573	64.5
121.06514	8.7
121.10117	21.1
122.07228	4.6
123.08063	11.3
125.09624	17.5
127.35828	4.6
128.06233	7.3
129.07016	8.4
130.07712	6.2
131.08601	24.1
131.78024	4.3
133.10120	17.1
135.08041	7.4
135.11693	8.7
137.09596	28.1
142.07774	14.7
143.08562	16.8
145.10114	31.0
147.08044	5.9
147.11732	8.3
149.09605	9.5
151.11180	28.7
155.08540	8.5
156.09305	8.4
157.10159	31.7
159.11678	9.8
163.11108	6.8
169.10088	14.9
171.11717	16.7
179.08560	12.3
181.10126	5.4
183.11681	17.9
185.13332	5.1
187.14798	5.2
189.12759	8.0
193.10201	9.6
193.12170	4.2
194.11006	5.1
195.11726	7.5
197.13351	4.9
203.14323	8.4
206.10901	8.4
207.11533	4.6
209.13275	12.7
215.14326	6.2
219.11626	5.6
221.13326	9.9
223.14732	6.2
265.19553	5.5
433.30997	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	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03932	3.1
54.67896	2.0
55.05513	12.5
55.77985	1.7
57.03444	12.1
57.07069	3.3
63.72823	1.7
65.03934	2.4
67.05509	52.4
69.07057	9.0
69.31998	8.0
69.32427	10.7
75.04451	2.1
79.05490	30.6
80.97298	1.8
81.07055	60.0
83.08625	7.7
83.98843	1.9
85.06507	1.9
87.77616	1.6
91.05482	15.1
93.07041	42.8
95.04990	3.6
95.08604	46.9
97.06525	3.1
98.98466	87.1
100.36377	1.6
105.07047	13.8
107.08577	22.4
108.17494	2.0
109.10141	24.7
116.99488	2.6
117.07022	7.3
119.08567	13.0
119.43266	1.8
121.10133	18.7
123.11708	9.0
131.08543	8.6
133.10153	9.3
135.11679	15.3
135.93097	1.7
137.13275	4.8
141.15521	1.8
145.10114	10.9
147.11694	5.5
149.13237	10.9
151.14807	2.2
155.01035	10.1
159.11662	11.1
161.13258	4.2
163.14842	7.6
173.02095	15.4
173.13277	7.9
175.14905	2.5
183.84241	1.9
187.14839	3.8
224.11952	1.9
233.22554	2.9
243.21071	13.9
249.23759	2.0
261.22150	55.2
262.22342	2.4
298.07056	2.0
317.24777	4.7
335.25803	100.0
336.26172	5.4
389.78696	2.2
415.22778	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	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03953	1.9
55.05511	12.9
57.03428	13.0
57.07063	4.7
59.47784	1.7
61.91821	1.5
67.05499	60.0
69.07067	12.2
70.01334	3.0
70.01727	4.4
70.06572	1.9
71.08617	3.6
74.87486	1.7
75.04498	2.0
79.05487	41.7
81.07050	69.4
83.08636	8.9
85.06513	2.7
91.05470	25.1
93.07039	49.1
95.04957	4.3
95.08601	46.4
97.06530	3.0
98.98457	76.3
99.08119	3.4
105.07037	16.7
107.08585	32.5
109.10152	18.7
113.09701	2.7
117.07013	8.3
119.08583	11.0
121.10136	23.1
123.11710	7.8
127.60296	1.7
131.08557	16.9
133.10132	10.5
135.11665	19.1
137.13213	2.6
145.10115	13.0
147.11661	8.5
149.13272	16.8
151.14868	2.0
152.48100	1.7
155.01051	8.7
159.11661	9.3
161.13269	7.3
163.03896	4.3
163.14821	12.3
173.02144	11.7
173.13263	13.8
177.16409	6.5
187.14815	5.3
201.16522	2.1
233.22629	3.1
243.21080	28.9
261.22125	51.4
279.23306	2.0
317.24933	8.7
335.25787	100.0
336.26126	3.6
359.95255	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	433.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64880	0.6
53.03928	0.9
55.01863	0.7
55.05507	5.7
56.05026	2.8
57.03423	1.2
57.05827	1.0
60.04528	1.6
61.01133	1.0
61.02903	0.9
67.05510	0.9
68.05045	0.6
69.03427	2.0
69.07071	2.3
70.06590	83.7
71.04976	0.7
71.06921	1.0
71.57625	0.9
72.08152	60.6
73.02911	3.9
73.08500	0.8
74.06063	2.6
74.80080	0.6
79.05499	1.1
81.03398	0.6
81.07066	0.7
81.62299	0.5
83.06118	0.8
84.04502	3.5
84.08138	7.0
85.02901	7.8
86.09705	35.1
87.10047	0.9
88.03999	1.6
91.05484	4.4
93.07066	0.6
95.04967	1.3
97.02895	3.0
98.06048	0.7
99.95222	0.5
101.07185	0.5
102.05560	1.6
103.05462	1.4
104.05338	1.5
105.07014	1.5
106.18887	0.5
107.04939	2.1
109.02847	0.8
110.07136	3.0
111.04501	0.5
111.05568	0.6
112.08725	1.3
115.03911	1.5
115.08678	1.3
116.07087	33.8
117.03391	0.9
118.08619	0.5
119.04940	5.4
120.08099	100.0
121.08432	1.4
123.04404	1.3
124.11170	0.6
127.03918	2.5
127.04931	0.7
129.10223	4.2
130.05042	0.7
130.06514	3.7
132.08072	2.7
133.04926	1.8
133.08301	0.8
135.04366	0.7
136.07570	2.4
137.05957	0.7
141.10246	1.3
142.02617	0.7
144.08089	2.1
145.02841	2.2
145.04938	3.4
146.11734	1.0
147.04405	19.8
157.06087	0.6
159.09160	7.0
160.09474	2.1
161.05920	1.8
163.06105	0.8
165.07820	1.3
166.03192	1.9
167.07042	2.9
169.09592	0.6
169.13329	2.1
170.06027	2.4
172.11526	0.9
173.09184	1.5
173.12856	1.4
177.05473	4.4
178.41045	0.6
181.04927	9.3
183.06636	0.7
187.08675	0.9
188.07033	1.4
189.08691	0.7
189.12328	2.4
191.11786	37.0
192.12140	0.9
192.60588	0.6
193.08525	1.2
199.18018	0.6
200.14317	1.0
201.12364	1.3
203.12196	0.6
207.04860	0.7
215.13908	12.4
217.13393	17.8
218.13705	0.7
219.11282	53.7
220.11542	1.1
221.08130	2.8
233.16457	2.0
245.12860	17.9
245.18452	0.8
249.07552	1.8
255.14828	1.4
261.15842	1.4
270.08105	1.0
272.17563	3.2
273.15970	3.1
284.16171	1.1
287.10672	4.1
303.72723	0.6
312.12173	0.8
318.18182	6.7
336.19061	1.1
358.21127	2.5
370.10602	0.9
403.13852	3.8
404.14551	0.7
416.17963	0.7
433.14728	2.7
433.24887	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	434.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45378	0.5
53.03933	0.7
55.01845	0.5
55.05494	1.2
56.05019	1.1
57.03439	0.7
57.24034	0.5
60.04525	1.1
64.67652	0.5
66.73106	0.5
67.05493	2.1
69.03420	2.5
69.28230	0.9
69.28570	5.3
70.06595	5.5
70.59601	0.5
71.85405	0.5
72.08151	4.6
74.06090	0.7
76.02222	1.1
79.05476	2.4
81.03416	0.9
81.07055	2.8
83.04976	10.6
84.04482	2.9
84.08146	2.7
85.02896	6.3
86.09699	5.0
86.98982	1.0
87.05634	0.8
91.05469	1.6
93.07066	0.8
95.04967	0.7
95.08572	3.9
97.02872	2.0
97.06512	0.7
98.20781	1.0
100.02209	1.4
102.05550	1.0
103.45377	0.6
104.05305	1.3
105.00050	0.9
105.07040	1.0
107.04942	2.6
109.06516	1.4
110.06039	4.0
110.07156	1.7
119.04904	0.7
120.08081	0.8
122.02717	7.5
123.08057	7.8
127.03898	1.9
129.10225	1.3
135.04402	5.0
136.07591	0.9
138.05490	5.9
145.10176	0.7
146.02661	1.2
147.04483	0.7
147.11577	0.6
149.09566	0.7
151.07535	100.0
152.07906	2.1
153.56876	0.5
163.03891	1.1
163.11145	0.9
181.92686	0.6
188.03728	0.9
191.10667	10.8
209.11671	1.5
212.06758	0.6
219.10143	4.4
237.11223	1.3
244.87296	0.6
247.37389	0.6
248.05919	1.1
255.12228	1.8
264.08582	2.1
272.09412	5.9
282.09637	0.9
284.08054	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	433.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84054	1.5
55.05500	6.6
56.05030	5.8
59.87932	1.3
60.04514	1.7
69.07061	1.6
70.06581	10.7
70.44943	1.7
71.03812	1.8
71.04147	2.8
72.08152	74.3
74.06079	5.6
82.06587	6.2
84.03996	2.5
84.04500	52.3
84.08139	4.8
85.02919	2.3
86.09701	40.0
88.03983	11.0
90.05551	33.8
96.08105	2.7
98.02425	3.8
98.98441	1.5
99.09204	3.1
101.07143	3.3
101.72068	1.4
102.05536	21.9
104.07101	2.5
107.04952	1.8
110.07172	3.1
113.03500	9.5
113.65405	1.5
116.07222	1.7
123.04451	2.0
124.07561	3.4
127.03904	2.0
127.08667	19.4
128.07059	4.8
129.10260	2.3
130.05022	2.5
141.06668	1.8
141.10213	1.6
142.08629	26.2
143.11810	4.6
148.06042	2.8
150.05452	1.7
152.07085	2.3
153.01982	1.4
155.08139	12.3
157.13394	2.3
169.09753	5.9
170.08150	3.9
173.09261	2.6
183.07628	2.9
183.11397	1.8
185.16447	3.3
187.10771	100.0
197.05595	8.7
197.09303	1.7
197.12875	1.9
201.08698	82.8
201.12381	4.5
202.08989	1.8
205.11821	1.7
215.10297	39.9
219.09753	19.0
229.11856	3.1
243.13429	1.3
247.12769	1.8
263.08643	2.6
284.12366	1.8
341.55893	1.6
344.14539	7.7
433.15250	1.6
433.22885	2.2
434.17245	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	433.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13359	1.8
55.05506	15.2
57.03440	12.1
57.07074	3.7
58.13444	2.0
67.05502	63.3
69.07069	13.1
70.84322	6.6
71.04993	1.9
71.68563	1.6
79.05482	35.5
81.06591	4.1
81.07052	69.3
83.08604	6.3
91.05473	19.7
93.06481	3.9
93.07037	46.2
95.04937	2.1
95.08600	54.1
97.06542	1.6
97.10176	3.2
97.77777	1.9
98.98460	90.3
99.71152	1.9
105.07031	17.9
107.08585	30.2
109.10144	24.9
116.99516	2.4
117.07000	6.5
119.08558	12.0
121.10136	23.4
123.11744	11.7
131.08543	11.3
133.10114	11.3
135.11681	17.3
137.13293	2.4
145.10149	10.4
147.11662	7.5
149.09500	2.1
149.13237	11.5
155.01024	6.4
159.11700	7.9
161.13257	6.2
163.11040	1.8
163.14844	8.5
173.02104	15.3
173.13261	8.9
175.14833	3.0
177.16405	3.0
187.14809	4.7
201.16408	2.6
202.31038	1.9
221.33611	1.8
233.22591	2.9
243.21024	14.1
261.22095	51.6
279.23224	2.7
317.24811	7.3
335.25775	100.0
336.26053	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	431.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05510	7.0
56.05029	2.0
57.03429	0.7
57.05820	1.3
58.06593	0.6
59.54572	0.4
60.04522	5.2
60.57056	0.4
61.47192	0.4
67.05498	1.7
69.03419	1.7
69.07064	2.1
69.26601	4.7
70.02955	0.7
70.06589	12.6
71.04980	0.8
72.08150	93.0
73.08490	0.7
74.04140	0.4
74.06071	1.5
79.05506	0.9
81.03403	1.6
81.07042	2.2
83.06094	0.8
83.08617	0.6
84.04499	3.7
84.08140	7.0
85.02899	1.8
86.09701	100.0
87.05580	4.3
87.10027	1.7
88.03986	1.2
90.05524	0.5
91.05479	1.7
92.05835	0.4
93.07069	0.7
95.04959	0.8
96.08151	0.6
97.02885	2.1
97.06529	0.9
98.06003	0.5
98.97565	0.7
101.07111	0.6
102.05545	2.4
103.05467	1.0
104.05353	0.6
105.07038	0.7
107.04943	0.7
108.08086	0.5
109.02844	0.6
109.06477	0.6
110.07146	2.8
112.08753	0.5
113.07114	0.6
114.09155	3.7
115.08695	1.0
116.07076	1.3
119.04955	0.8
120.08094	5.3
121.10101	0.5
123.04446	0.7
125.10744	1.4
127.03885	0.8
128.10716	1.4
129.05444	0.4
129.10223	4.2
130.05006	0.7
132.10187	4.4
133.06625	0.4
133.10071	0.8
135.11720	0.6
136.07588	1.8
137.05959	1.3
138.09161	0.7
141.06624	0.9
141.10211	1.8
143.11815	3.5
145.02852	0.5
146.11749	1.9
151.46317	0.4
155.11792	1.4
159.07817	0.4
159.09236	0.8
159.11276	17.8
161.05908	0.5
166.08618	0.7
167.07047	0.5
169.06253	0.7
169.09761	1.2
170.05818	0.5
171.11284	2.0
173.11533	0.9
173.12854	8.0
181.04958	1.5
183.11343	4.6
184.09706	0.6
185.16478	2.1
186.08746	1.1
187.07127	0.6
187.09041	1.0
187.10750	10.2
187.14441	1.1
197.12865	0.7
201.12329	12.7
203.13916	1.3
215.13901	0.8
217.15483	0.9
219.13406	1.4
229.11792	2.5
231.14732	0.9
231.17018	17.2
234.98875	0.6
243.13420	1.8
243.15874	0.8
245.18591	6.6
246.18889	0.5
251.09744	0.4
255.17046	0.7
261.14468	0.6
269.10696	0.5
269.17334	0.6
282.18103	11.4
296.19571	1.3
300.15842	0.8
300.19019	3.4
318.20175	1.5
328.18427	0.5
353.16180	0.5
431.17990	2.1
431.23077	0.9
431.27817	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	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03465	7.5
55.05510	17.4
56.05036	7.6
60.04529	7.6
61.02908	3.3
61.07928	3.1
63.38902	2.9
65.03932	10.3
67.05503	31.7
69.03441	5.4
69.07058	13.7
70.06589	33.3
71.06942	3.2
72.08167	17.3
73.41914	3.3
73.84066	2.8
74.02447	9.7
79.05484	23.8
81.03398	5.3
81.07045	30.9
82.06586	7.2
83.05004	3.3
83.08619	8.3
84.04504	13.5
84.08101	14.5
85.02888	13.7
86.06048	2.9
86.09689	39.0
87.09998	3.1
91.05459	25.1
93.07032	19.5
94.06569	3.3
95.05000	8.5
95.08608	27.1
96.08175	3.0
97.06521	3.6
98.06079	3.7
100.03974	14.9
100.11200	5.0
102.05523	3.9
103.05430	4.7
104.03494	7.2
105.07024	21.1
107.04934	16.5
107.08597	13.5
109.10164	15.9
110.07140	9.7
111.04462	4.2
115.05447	6.2
116.98532	4.3
117.07021	9.8
119.08582	12.7
120.08106	15.2
121.10139	12.2
122.02724	3.3
123.04401	6.3
123.11750	3.5
124.05169	5.3
125.06024	5.8
129.10240	9.1
130.04997	4.2
131.04883	3.5
131.08560	12.1
133.06509	7.2
133.10120	11.2
135.11740	8.0
136.07610	6.6
137.05988	10.4
142.02573	3.9
143.08585	4.2
145.06465	6.6
145.10146	11.2
146.04485	3.6
147.04465	4.1
147.08081	3.6
147.11703	6.9
149.13266	4.9
161.05933	15.3
161.09598	3.6
161.13229	8.4
167.07068	26.0
171.06537	6.9
173.05888	4.5
173.13293	6.0
177.05568	5.9
179.10728	3.2
181.04941	100.0
181.06520	6.4
183.06599	7.4
189.05568	5.1
193.08572	8.3
207.06590	3.5
221.08057	26.0
229.19463	17.3
233.08046	7.8
239.17827	3.6
246.22221	12.9
249.07581	12.1
257.19022	9.4
264.23148	4.1
274.21738	10.9
275.20023	12.4
287.05557	5.4
292.22781	12.2
310.23495	3.4
316.22751	3.3
346.20282	3.4
348.79276	4.2
360.21606	36.8
378.22635	24.3
396.23544	9.4
403.13831	36.1
433.15222	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	431.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94434	0.5
55.05510	8.2
56.05030	1.6
57.05810	1.2
60.04515	0.7
69.07066	1.3
70.06587	7.9
71.51079	0.5
72.04504	0.4
72.08150	100.0
73.08475	1.2
74.06073	0.5
81.03461	0.5
83.02364	0.4
84.04498	14.9
84.08139	4.6
85.02900	1.0
86.09702	18.9
87.10025	0.8
88.03990	0.7
93.07101	0.5
102.05540	5.6
110.07172	2.0
112.08758	0.4
113.10802	0.5
114.67336	0.4
116.07085	2.8
117.45367	0.4
120.08099	1.9
122.11697	0.4
123.04387	0.5
124.03950	0.7
129.06589	0.4
129.10255	2.5
130.06540	0.7
130.08626	0.6
132.10233	0.9
136.07587	1.0
137.05981	0.9
141.10210	0.8
143.11792	17.7
144.06560	12.8
145.04884	0.5
147.07668	0.6
159.09209	0.7
162.07608	25.9
164.07100	0.5
171.11272	23.9
172.11674	0.5
173.09264	0.7
185.16493	0.8
197.12886	0.8
199.18130	1.3
201.08673	0.7
201.12325	0.7
205.11847	0.9
212.10626	0.4
213.16023	0.6
225.15993	4.6
227.17607	0.8
229.11929	0.5
243.13396	2.6
254.37772	0.4
261.14447	23.1
262.14963	0.6
270.18100	5.1
272.17523	0.5
300.15442	0.4
332.18182	0.9
361.37552	0.5
401.60736	0.5
431.16476	1.6
431.25107	1.0
432.14990	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	431.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87217	0.4
55.05507	3.7
56.05031	2.4
57.05808	0.6
60.04517	1.3
67.05494	0.8
67.89900	0.4
69.03428	0.6
69.07066	6.4
70.02950	1.0
70.06588	14.7
71.06932	0.6
71.59444	0.6
72.08153	41.9
73.08497	1.0
74.06066	1.2
76.04022	0.7
79.05510	0.6
82.58170	0.5
83.06096	0.7
84.04502	11.3
84.08142	7.3
85.02907	1.5
85.04829	0.6
85.08472	0.9
86.09702	100.0
87.05563	0.6
87.10024	2.4
88.03981	0.6
88.35829	0.5
90.05566	1.2
91.05824	0.6
95.04948	0.6
97.06528	2.8
101.07111	0.9
101.10783	0.4
102.05540	2.8
107.04974	1.0
109.07594	0.5
110.07162	3.4
110.16603	0.4
112.08720	0.7
116.07101	2.5
119.04915	0.7
120.08079	1.2
127.03893	0.7
127.08636	0.5
129.06596	0.5
129.10251	4.0
130.04996	3.9
130.08652	0.5
130.10611	0.9
132.08069	0.5
135.04439	0.8
136.06197	0.9
136.07576	1.8
138.09152	0.7
141.10219	0.5
143.11789	8.7
144.12209	0.6
145.06087	1.6
147.04414	1.5
148.06050	6.3
152.07068	1.1
155.08177	1.0
156.07658	0.5
157.13370	6.6
161.80405	0.6
164.07133	0.9
167.06979	0.7
171.11278	13.0
183.11339	0.7
184.09689	0.8
185.12872	3.8
185.16522	1.9
186.12476	1.0
186.59851	0.4
189.12352	1.1
197.12973	0.8
198.98837	1.3
199.18036	0.6
201.08702	2.3
201.12331	1.1
213.12325	0.8
215.13940	1.5
217.00226	0.6
217.11900	0.9
219.09943	0.6
227.17508	0.6
229.11797	1.2
229.15399	0.7
239.17499	3.5
243.13400	1.2
247.12900	0.8
261.14438	20.1
270.07855	0.7
284.19595	2.9
295.04752	0.7
332.18121	1.6
361.03079	0.4
431.14584	0.6
431.25821	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	431.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.21786	0.4
55.05505	1.9
57.03436	5.0
57.07067	1.2
60.06589	0.5
67.05504	8.9
69.07053	2.3
69.98985	2.3
71.04980	0.6
71.08610	0.6
79.05496	3.2
81.03423	1.0
81.07048	12.4
83.04992	0.6
83.08611	1.4
85.06550	0.7
91.05479	2.2
93.07044	3.8
93.10057	0.4
95.04959	1.0
95.08609	9.8
97.06544	0.8
97.10180	1.0
98.98500	0.9
99.08142	0.4
105.07025	1.8
107.08591	2.4
109.10158	5.3
111.08140	0.5
112.80715	0.4
113.00012	97.1
119.08544	1.5
121.10153	1.6
123.11686	2.1
127.88079	0.4
131.01065	0.5
133.10104	2.3
135.11658	1.3
137.09523	0.7
137.13272	0.6
139.01514	0.6
147.11678	1.0
149.13197	1.0
151.14822	0.7
155.00987	0.7
161.13266	0.8
163.14809	0.9
169.02605	100.0
170.02957	1.1
175.14796	1.5
187.03728	0.6
209.70589	0.5
245.22653	4.5
263.21127	0.7
263.23709	8.1
293.96933	0.5
302.44211	0.5
315.40564	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	431.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01870	5.9
55.05507	19.2
57.03435	24.5
57.07075	3.5
61.02927	47.2
65.03944	3.9
67.05501	62.9
69.03426	29.8
69.07069	26.0
69.20923	27.3
70.06586	16.8
71.01353	4.7
71.04984	11.8
72.08186	3.1
73.02909	20.8
74.06070	2.5
79.05493	35.1
81.03406	18.9
81.07050	100.0
83.04990	13.9
83.08611	18.9
84.04501	5.2
84.08138	3.9
85.02386	2.7
85.02898	53.9
85.06544	6.0
86.09712	22.4
87.04456	3.3
91.03951	29.5
91.05463	30.6
93.07040	60.9
95.04942	11.3
95.08611	27.3
95.09196	3.4
97.02885	40.5
97.06508	13.0
97.10161	3.3
98.20734	5.2
99.04449	11.9
99.08091	8.6
100.11249	2.3
101.02383	11.5
103.03934	4.0
105.07023	12.2
107.04932	6.3
107.08578	33.3
109.02214	2.4
109.02869	12.1
109.06504	5.1
109.10153	9.6
110.07167	2.4
111.04443	3.0
111.08091	12.3
115.03947	4.6
117.07028	9.6
119.08569	10.9
119.89884	2.5
120.08132	7.6
121.06512	5.8
121.10131	23.3
123.11740	4.1
127.03920	22.8
127.07557	2.3
129.05489	4.7
131.04939	3.0
131.08548	10.5
133.06601	2.9
133.10112	14.6
135.08060	5.1
135.11693	10.1
137.05980	6.5
141.74583	2.5
143.54156	2.2
144.12245	2.3
145.04987	5.7
145.10124	5.6
147.11702	4.6
149.05891	3.4
149.09627	3.5
149.13246	68.1
149.14397	4.3
150.96909	2.9
151.07549	3.4
158.97340	2.4
159.11679	30.3
163.07474	2.4
167.07048	4.4
169.00853	2.5
173.13010	3.3
177.12793	20.8
181.04968	5.6
183.06558	3.1
195.13823	42.1
197.57657	2.4
201.07527	3.7
202.08644	3.6
202.22621	2.4
213.14899	6.9
215.32985	3.5
217.08656	2.8
219.11485	2.7
232.10069	3.8
263.66248	2.5
269.17450	85.4
270.17834	2.4
293.21179	3.1
297.16974	5.6
311.18512	8.1
339.18167	2.5
356.96783	2.6
413.21393	5.4
431.22495	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	431.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10962	0.3
55.05505	1.5
56.05024	0.9
57.05816	0.5
58.06599	0.3
60.04521	0.7
67.05515	0.4
69.07063	6.7
69.71773	1.5
70.02977	0.3
70.06589	8.7
71.06918	0.3
72.08150	22.9
73.08456	0.5
74.06078	0.3
75.05597	3.5
81.24373	0.3
83.06073	0.3
84.04499	4.8
84.08139	2.8
85.02885	0.8
86.09699	100.0
87.05598	0.3
87.09507	0.4
87.10025	2.1
88.03981	0.4
91.05466	0.5
93.07047	0.3
102.05531	5.8
105.54097	0.3
107.04951	0.4
109.31972	0.3
110.07174	1.2
114.08203	0.3
114.09180	0.3
115.08687	0.6
116.07104	0.8
120.06614	0.3
120.08110	1.3
127.08624	0.5
129.06630	0.6
129.10236	2.1
130.04980	2.1
132.10205	0.9
136.07558	0.9
143.11783	14.6
145.02917	0.3
147.04428	0.5
148.06023	6.3
150.98378	0.3
152.07112	0.3
153.10257	0.3
155.08156	0.9
157.13350	2.7
159.09268	0.4
169.13396	0.3
171.11275	7.3
171.12738	0.4
171.14951	0.4
173.09195	3.0
183.11296	0.4
185.12865	3.4
185.16531	1.2
187.10608	0.3
189.12376	1.2
197.12868	0.7
199.18054	1.1
201.08693	5.4
201.12430	0.8
205.11865	0.3
213.15924	1.5
215.13881	2.4
219.13463	0.9
227.17561	0.9
229.11891	0.6
231.16971	2.9
239.17632	1.5
242.14987	0.5
243.13467	1.2
247.12878	2.4
261.14435	15.8
284.19632	2.9
300.15567	0.8
432.21909	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	431.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01871	2.6
55.05507	8.9
57.03435	15.4
57.07061	3.8
61.65767	2.1
67.05503	28.8
69.07059	9.1
70.97725	5.5
71.04993	4.8
79.05489	36.3
81.07056	32.5
83.05000	1.9
83.08640	4.3
84.08193	2.0
91.05479	39.9
93.07039	41.1
95.04962	2.4
95.08612	24.8
97.06542	4.4
97.10193	3.0
98.98466	100.0
99.08111	2.7
102.04911	2.0
105.07032	41.5
105.07700	3.0
107.08591	24.3
107.09220	2.6
109.10171	6.0
117.07023	13.3
119.08577	50.9
121.10171	19.0
123.11741	2.2
129.05504	3.9
129.07037	6.1
131.08546	17.4
133.10133	33.6
135.11688	21.0
143.08556	12.3
145.10124	15.8
147.08080	3.1
147.11693	38.7
147.12828	3.1
149.09644	2.4
149.13271	10.9
152.50377	1.9
155.01033	4.6
155.07098	2.4
156.09364	2.3
157.10158	8.6
159.11711	18.1
161.13258	44.4
163.11267	2.9
163.14890	7.0
171.11679	13.4
173.02113	21.0
173.13289	15.0
175.11255	2.0
175.14822	28.9
185.13239	11.5
187.14824	4.5
189.16217	2.0
199.14857	7.1
213.16458	3.3
215.17891	4.7
217.19606	6.0
230.19173	2.3
231.21097	10.7
241.19504	55.7
243.21140	3.1
259.20572	81.0
277.21600	3.1
333.24243	96.7
334.24985	2.3
383.10214	2.1
392.13351	2.1
413.21036	4.0
431.21835	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	431.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01870	3.7
55.05511	10.3
57.03439	10.9
57.07088	2.8
61.62458	2.2
67.05502	26.3
69.07065	8.6
70.06597	2.7
70.15864	9.3
70.63895	1.9
71.04965	4.3
78.98413	1.8
79.05488	31.5
81.03395	2.3
81.07050	31.3
83.08614	5.7
84.08135	2.9
85.06538	3.9
86.07014	1.9
91.05464	35.3
93.06484	3.3
93.07037	38.1
93.07579	3.7
95.04982	3.7
95.08599	24.7
97.10149	2.9
98.98462	91.2
99.08067	3.1
104.24771	1.9
105.07024	42.2
107.04955	4.9
107.08584	24.0
108.66451	1.8
109.10143	6.2
109.31763	2.2
111.08057	2.7
116.99477	2.9
117.07005	10.9
119.08570	48.2
119.09384	3.5
121.10147	18.4
123.08060	2.3
123.11720	4.6
129.05478	3.1
129.06999	8.1
131.08559	19.1
133.10130	30.5
135.11670	16.6
143.08563	7.2
144.79102	2.4
144.83041	2.1
145.10117	15.8
147.11674	36.5
149.13264	9.9
152.07036	6.5
153.07399	2.1
155.01062	4.5
157.10110	11.0
159.11699	15.0
161.09499	2.6
161.13245	45.6
163.14857	4.0
169.10106	2.4
171.11665	12.4
173.02132	16.0
173.13235	14.7
173.14519	2.3
175.11319	2.0
175.14832	24.1
178.25000	2.4
184.07309	2.4
185.13277	11.3
187.11165	2.3
187.14825	4.1
199.14861	7.2
201.16344	2.3
213.16379	3.6
215.17984	3.0
217.19548	3.6
231.21065	8.8
241.19478	53.3
241.21765	3.6
242.19888	4.8
248.25980	2.1
259.20572	78.4
260.20898	2.7
277.21643	4.2
315.23111	5.6
333.24197	100.0
333.65991	2.1
334.24548	5.2
413.20721	4.0
431.22043	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	431.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	18.8
55.05500	23.9
56.05027	9.9
57.03444	14.2
67.05502	51.2
69.03426	32.2
69.07065	18.9
70.06590	71.4
71.04994	41.7
71.54989	11.9
72.08139	45.3
79.05494	40.2
81.03423	33.3
81.07049	78.3
83.04984	25.2
84.04482	17.5
84.08151	47.4
85.02895	19.2
85.06530	21.5
86.09708	93.4
91.05475	51.4
93.07047	66.6
95.04969	14.2
95.08625	16.1
97.02897	38.3
97.06531	24.6
99.04445	20.6
103.03946	12.6
103.05416	7.3
105.07027	50.5
107.04913	11.9
107.08586	40.8
109.02902	12.7
109.06522	57.9
109.10142	20.3
110.07192	12.8
111.04438	21.0
117.06989	20.6
119.04978	7.3
119.08605	18.2
120.08073	32.7
121.06535	15.6
121.10118	10.1
123.11690	13.7
127.03928	23.0
129.10242	33.7
130.04974	7.6
131.08580	30.4
133.06454	7.9
133.10144	17.5
135.08054	28.7
135.11646	11.2
136.07576	15.1
137.05986	62.7
137.09645	11.1
143.08513	7.8
143.11766	10.2
145.10115	58.5
146.11821	8.6
149.13257	7.7
151.07559	13.5
153.09099	13.5
159.11703	21.4
163.11218	16.0
169.10034	7.9
173.09610	25.6
177.12778	12.7
181.04964	19.9
187.11150	22.5
187.13261	23.5
191.10643	45.8
195.13817	7.2
205.12225	28.8
209.11833	13.9
215.10661	14.4
233.09680	10.6
233.11685	41.2
243.15938	54.8
251.12784	100.0
269.13879	39.9
269.17358	19.8
297.91348	6.6
431.22827	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	431.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.9
56.05039	8.5
57.03426	12.2
58.57283	5.8
60.04525	5.7
63.50699	5.5
67.05505	48.9
69.03424	26.4
69.07066	13.1
70.06590	82.3
70.69456	18.6
71.05000	30.5
72.08159	35.5
74.06033	6.8
79.05495	29.4
81.03423	36.2
81.07051	51.1
83.04975	24.0
84.04495	11.9
84.08138	53.5
85.02905	17.3
85.06528	9.0
86.09698	100.0
91.05482	38.5
93.07052	49.0
95.04988	15.9
95.08604	19.1
97.02881	25.8
97.06505	16.7
99.04428	18.6
105.07046	46.0
107.04946	10.2
107.08571	32.1
109.06503	48.2
109.10123	15.2
110.07148	11.8
111.04434	17.5
113.05969	7.5
117.07003	15.6
119.04896	8.0
119.08585	15.2
120.08089	28.1
121.06541	7.6
121.10111	8.3
122.53516	5.7
127.03904	14.4
129.06985	5.8
129.10229	24.4
130.89978	6.5
131.08574	29.2
133.10106	14.9
135.04453	9.7
135.07990	15.8
136.07561	10.3
137.05972	70.7
137.09642	11.3
143.08617	11.3
145.06508	9.5
145.10152	49.1
149.13268	11.9
151.07619	7.4
152.07076	6.7
153.05441	6.9
153.09087	13.7
155.08432	7.6
157.26730	5.8
159.11688	21.5
161.06027	10.4
163.11110	11.2
171.06444	5.8
173.09581	26.9
177.05539	6.8
177.12665	8.7
181.04993	15.3
187.11166	23.4
187.13309	19.8
191.10648	58.6
197.12933	7.3
205.12206	26.8
209.11826	9.4
215.10645	18.0
233.11661	36.9
243.15947	45.3
251.12810	80.8
258.65842	6.4
269.13855	35.5
269.17419	17.6
388.72928	6.5
431.22922	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	431.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	7.2
60.77142	6.8
69.07059	8.4
69.80032	32.7
70.06599	65.7
72.08149	44.9
73.04746	11.1
81.65438	6.7
83.06102	15.1
84.04511	48.0
84.08140	39.9
85.02942	7.2
86.09705	64.0
87.05584	11.0
91.05802	16.7
95.06110	7.0
101.07153	19.5
102.05544	13.0
109.20731	7.4
110.07150	35.7
116.07077	10.9
117.07379	8.2
119.18362	7.3
129.06633	8.2
129.10277	23.2
130.04997	13.6
133.06078	9.3
135.71503	6.6
136.06183	100.0
136.07574	26.8
137.05881	21.4
137.06720	10.7
139.11444	7.1
152.07140	8.3
155.11755	7.4
156.08995	6.6
164.07040	91.1
180.01164	13.5
184.36887	7.1
185.51492	6.9
203.36008	6.7
204.09880	8.0
228.13544	13.6
231.09721	7.2
268.10275	16.6
269.11118	11.1
361.02432	8.7
400.80014	7.2
431.27814	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	431.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01864	0.3
55.05503	0.6
56.05015	0.8
60.04522	0.6
61.02921	0.5
65.03918	0.4
66.04716	0.5
67.05493	0.5
68.99791	0.6
69.07059	0.5
69.73837	2.5
70.02980	0.3
70.06586	4.9
72.08166	2.6
74.06075	0.4
79.05492	1.4
81.03430	0.5
81.07050	1.1
83.05002	0.4
84.04489	1.4
84.08150	2.1
86.09705	13.8
87.00859	1.8
87.10023	0.7
88.04013	0.4
91.05466	2.2
94.04181	3.0
95.04961	0.7
97.06470	0.4
98.21552	0.4
99.04503	0.3
102.05581	0.4
103.05460	1.1
105.07000	0.8
107.04964	0.9
109.06496	1.7
110.07117	0.6
115.05461	1.4
116.07093	0.6
117.06986	0.5
119.04916	0.7
120.08101	1.3
121.06499	1.9
122.03648	6.7
123.04481	0.4
125.06000	0.8
129.10216	1.4
131.04944	1.3
132.10243	0.8
133.02811	0.5
135.04366	0.8
136.07576	0.9
137.05972	100.0
138.06310	1.1
143.04947	1.7
143.11726	0.8
145.06467	0.6
147.04405	0.7
147.08008	0.7
148.05162	0.4
149.05960	2.6
151.03949	0.8
151.07529	0.5
152.07072	0.5
153.05505	0.4
157.07724	0.5
157.13277	0.4
159.04408	0.6
159.11555	0.3
160.05225	1.1
161.05981	4.9
162.06721	0.4
163.07536	1.0
164.07088	0.6
165.05498	0.6
165.06992	1.2
168.10204	0.6
169.10577	0.4
171.11261	0.5
172.05234	0.8
173.12892	0.6
175.07541	5.7
176.04669	1.0
177.05479	3.9
178.07767	1.2
179.07158	0.6
179.08525	2.2
181.06453	0.7
183.06525	0.5
185.16502	0.8
187.07336	0.6
189.05449	0.5
189.07043	1.4
190.06265	1.2
191.07028	5.2
191.08603	0.6
193.06520	0.5
195.08139	0.5
201.12346	0.7
203.07028	5.7
203.08760	0.4
205.06445	0.7
206.07292	1.9
207.08060	2.8
208.08754	0.5
209.05888	0.7
210.06689	0.6
210.81381	0.4
211.07547	0.6
213.15970	0.4
217.06461	0.9
219.08192	0.5
219.13480	0.6
221.05969	1.3
221.08139	1.9
223.07564	0.6
224.08348	1.4
225.09108	1.5
233.06000	0.7
234.06743	3.8
235.07491	2.5
236.08334	0.4
237.09201	1.6
238.06201	0.5
239.10709	0.8
249.09097	4.6
250.06265	0.5
251.07021	1.4
252.07816	1.2
253.08554	2.8
257.12924	0.9
262.06305	1.3
263.07068	1.3
265.08746	1.8
266.09418	1.1
267.10159	6.4
270.08795	0.7
271.09372	0.4
277.08594	12.8
278.09238	1.0
279.06589	1.0
282.08694	0.4
283.09509	0.4
284.10355	0.4
285.11386	1.5
289.06995	0.6
293.08432	0.6
294.08835	2.5
295.09607	4.5
297.11151	1.7
299.12747	1.5
307.08182	0.6
309.11209	8.3
325.10767	0.4
327.12286	2.4
341.09875	0.4
345.13388	2.4
353.10388	0.9
371.11282	1.4
387.71368	0.4
393.15048	0.4
395.11371	0.7
413.12244	1.3
431.13382	1.0
431.18320	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	430.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.8
55.01868	10.6
57.03432	6.0
57.27094	0.7
59.78569	0.6
60.02168	0.6
60.04527	1.7
61.02924	7.1
63.43106	0.6
64.31168	0.5
66.17384	0.6
68.99789	5.1
69.03425	33.9
70.67022	1.0
70.67396	1.2
71.04994	5.7
73.02913	9.9
74.54610	0.5
79.03342	0.7
80.05024	1.0
81.03413	35.2
83.01319	1.2
85.02900	100.0
86.03237	1.4
87.00824	39.1
87.04470	1.0
91.03950	2.9
92.30723	0.6
97.02885	40.6
98.03196	0.7
98.06078	0.9
98.39268	0.6
99.04449	19.4
101.02369	1.3
103.03944	0.8
105.01860	36.2
108.04471	10.1
109.02869	35.7
115.03892	1.7
117.01834	6.4
124.05170	1.1
126.05524	6.2
127.03906	82.6
128.04230	1.7
129.01854	4.7
131.76994	0.6
137.05972	3.3
144.06540	0.8
145.04948	48.3
146.05304	1.3
147.02895	4.5
148.05118	0.9
151.03905	0.8
159.02876	31.3
160.03212	1.1
160.10651	0.7
165.09108	2.4
177.03932	2.3
189.03944	2.4
189.09084	4.9
201.09236	1.0
207.10072	1.3
212.05515	1.1
213.03911	3.6
230.06624	4.1
231.04982	17.6
231.10046	2.9
248.07617	5.6
249.06064	1.5
255.10075	0.9
266.08585	1.2
273.11014	1.5
365.43399	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	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05510	3.6
57.07072	21.0
65.87161	0.7
67.05499	7.2
69.03429	1.1
69.07062	3.9
71.08627	12.6
71.30428	1.1
79.05472	2.1
81.07056	8.6
83.04968	0.7
83.08595	2.6
85.10172	6.5
91.05464	3.3
93.07037	2.8
95.04961	0.9
95.08598	7.4
97.10184	2.7
105.07017	2.9
107.08588	7.5
109.10157	6.8
111.04420	1.1
111.11724	0.8
112.26768	0.6
117.06989	1.6
119.08578	4.6
121.06511	1.0
121.10133	4.6
122.07253	1.3
123.08049	1.6
123.11702	1.5
125.05958	0.8
131.08569	2.4
133.10085	2.2
135.08032	6.1
135.11661	3.1
137.05940	1.2
137.09599	12.0
139.07539	2.6
145.10110	3.1
147.11736	1.1
149.09616	17.7
149.13231	0.8
150.14607	0.7
151.07561	1.9
152.26019	0.7
154.69240	0.7
158.10867	0.8
159.11728	3.8
161.05978	0.8
161.09534	1.2
162.06746	1.9
163.07596	1.3
163.11182	21.6
164.08289	0.9
165.09108	100.0
166.09465	1.4
173.09584	3.4
173.13266	2.2
175.11128	5.6
176.08240	2.1
177.09091	12.2
177.12753	2.3
179.10651	1.8
186.10461	1.6
187.11180	3.2
187.14832	0.8
189.09134	1.5
189.12746	1.7
190.09904	1.8
191.10663	10.2
191.14270	1.5
201.12723	3.8
203.10687	2.7
203.14310	0.8
204.11372	1.0
205.12201	9.7
215.14336	1.8
219.13788	4.9
233.15376	3.7
247.16949	1.7
261.18561	1.4
275.20059	1.2
289.21622	1.0
303.23224	2.0
317.24872	1.5
331.26163	0.8
373.31024	1.2
399.02664	0.8
401.34036	3.0
411.36392	2.1
429.37244	36.2
430.37924	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06788	5.1
53.03946	8.2
55.01870	8.8
55.05502	25.7
57.03428	28.3
61.02659	5.4
61.02924	37.9
65.03934	11.7
67.05508	43.0
67.31966	4.9
69.03432	26.1
69.07066	18.8
70.06589	10.5
71.01360	7.2
71.51771	8.3
72.08173	8.4
73.02911	18.6
73.04762	6.5
79.05499	40.2
81.03420	93.6
81.07053	45.1
83.04988	6.6
83.08620	25.0
84.04470	8.8
84.08116	13.7
85.02911	41.6
86.09698	15.5
91.03944	15.4
91.05486	35.9
93.07056	34.0
95.04965	100.0
95.08592	22.2
97.02887	45.5
97.06500	7.8
97.10134	8.0
101.02415	7.9
103.03934	11.7
105.07033	38.6
107.04955	27.9
107.08588	21.1
107.09756	4.9
109.02879	19.6
109.06515	12.8
109.10171	17.9
110.07262	5.6
111.04451	12.8
111.08074	7.7
117.06998	12.9
119.04905	7.0
119.08589	22.0
121.02861	6.7
121.06504	18.3
121.10146	15.1
123.04439	53.5
123.08052	7.6
125.09631	11.9
127.03910	13.4
129.07014	16.4
129.10216	9.8
131.04865	7.1
131.08577	15.2
133.10143	13.6
135.04489	6.2
135.08002	6.9
135.11693	16.5
137.05986	14.3
145.06496	7.5
145.10161	22.7
147.04395	16.8
147.08127	6.4
147.11646	12.0
149.02339	85.9
151.07564	11.2
153.09106	8.0
157.10109	18.8
159.11690	11.2
163.07500	6.3
163.11215	28.4
167.05562	10.8
171.11711	8.9
173.09682	11.9
175.04059	8.2
175.11192	10.8
189.12781	13.3
191.10675	7.5
193.04962	56.8
193.12228	24.9
205.12225	11.0
207.13824	11.8
217.12199	10.1
223.13245	6.8
235.13272	85.2
249.14984	9.1
257.19067	9.5
259.13293	19.8
267.15891	31.7
273.14862	20.4
277.14633	10.3
301.14398	26.4
309.16913	39.8
316.32986	6.5
319.15353	8.0
341.06436	19.2
359.02905	20.6
359.07578	10.3
375.18008	19.1
385.09042	27.3
385.37726	7.0
393.19025	14.5
411.20139	8.7
429.11926	61.7
429.21051	11.1
430.12341	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	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
55.01866	10.3
55.05510	23.5
55.78580	2.8
56.05019	2.2
57.03439	27.2
59.04973	1.9
61.02921	26.5
65.03927	5.1
67.05499	42.1
69.03429	28.6
69.07084	12.0
70.06583	36.5
71.01332	6.1
71.02935	2.6
71.03295	4.7
71.04974	4.9
72.08147	29.2
73.02921	14.2
73.47445	1.9
79.05073	3.2
79.05486	34.3
81.03414	100.0
81.06602	2.7
81.07051	33.6
83.04988	14.5
83.08624	16.4
84.04485	6.8
84.08158	10.1
85.02905	46.4
85.06508	2.5
86.06103	1.8
86.09702	75.9
87.04457	2.7
89.03962	2.0
91.03953	16.0
91.05437	39.6
93.07041	26.9
95.01330	5.1
95.04962	83.0
95.08613	14.1
97.02886	40.6
97.06520	3.2
97.10144	8.6
99.04436	9.2
101.02364	3.2
102.05480	2.5
103.03928	16.9
103.05435	4.0
105.07014	24.9
107.04955	24.2
107.08581	17.4
108.75491	2.4
109.02866	19.8
109.06513	12.6
109.10143	5.6
110.07130	7.0
111.04443	11.4
111.08048	9.6
115.03928	2.5
115.05434	3.8
116.07063	2.4
117.05519	2.0
117.07005	10.5
119.04928	8.3
119.08580	21.2
120.08056	10.7
121.02847	2.6
121.06503	13.2
121.10139	11.5
123.04427	43.6
123.08025	6.3
123.11613	2.3
125.09605	3.5
127.03909	20.2
129.05429	4.0
129.07004	13.6
129.10216	6.6
130.05022	2.4
131.04880	5.1
131.08545	18.0
133.06482	7.5
133.10167	10.8
135.04399	5.2
135.08040	7.4
135.11702	7.8
136.07567	5.6
137.02301	2.2
137.05957	9.7
137.09630	3.2
141.06911	2.1
142.07791	3.8
143.08556	7.3
145.04936	4.9
145.06441	8.0
145.10126	16.0
147.04385	11.5
147.08075	10.8
147.11679	13.3
149.05984	5.2
149.09599	8.9
153.09087	5.1
155.08551	3.4
157.06458	2.6
157.10127	10.2
161.05983	5.0
161.09566	5.8
161.13235	2.9
163.03928	3.6
163.11143	23.7
165.12730	5.1
167.05537	4.4
167.06987	4.4
171.11665	7.6
173.05965	2.9
173.09552	6.6
174.06763	2.2
175.11128	15.4
177.05467	2.7
181.04971	2.1
181.12144	2.2
189.05415	5.0
189.12770	13.9
191.10643	5.1
193.12230	38.7
193.13875	3.7
199.11166	4.7
199.17982	9.7
201.12309	3.8
203.13910	13.2
205.12234	7.5
207.13675	9.8
211.13268	37.7
213.12691	3.0
217.12135	10.3
223.13170	3.9
227.17542	11.2
229.14293	3.7
231.13831	3.1
235.13260	65.5
236.13718	2.8
247.13219	2.8
249.14720	10.7
253.14346	7.0
255.13937	4.0
259.13278	15.4
265.14169	2.4
267.15881	26.7
273.14825	26.2
277.14188	7.1
283.13016	2.8
285.11893	2.7
285.17029	4.8
289.14197	3.8
291.15924	3.1
301.11392	2.5
301.14380	21.3
309.16971	35.8
315.16190	2.2
319.15369	6.7
333.16788	3.2
337.16397	3.2
351.17914	4.1
359.02924	4.8
375.17957	19.5
393.19223	13.3
411.20258	9.8
429.16833	5.4
429.21411	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	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43127	4.8
53.03935	8.2
55.05499	15.4
57.03425	10.7
67.05489	16.5
67.81165	4.3
69.03410	16.4
69.07066	11.3
70.06575	9.7
71.04987	5.3
71.57729	4.5
71.58164	5.7
72.08122	5.4
73.04739	4.8
79.05482	17.3
81.03413	78.9
81.07048	19.3
83.04972	20.8
83.08613	19.8
85.02926	26.7
89.45139	4.6
91.05392	22.0
93.07034	19.0
95.04967	23.9
95.08591	9.7
97.02878	56.9
97.10165	6.5
97.20161	4.2
99.04424	7.4
102.23659	4.5
105.07053	16.5
107.04958	12.9
107.08572	10.7
109.02850	12.9
109.10149	6.9
111.04450	6.6
111.08086	8.7
119.08585	15.2
121.10136	9.6
127.03888	11.6
129.07022	7.8
131.08537	10.4
133.10150	9.7
141.06992	4.8
147.11565	8.7
149.02335	19.4
149.09550	5.4
149.97691	5.1
152.07008	8.6
157.10155	12.9
175.11197	14.8
193.04956	25.6
193.12207	65.0
211.13283	100.0
225.15443	4.6
227.12787	8.0
237.07521	9.3
240.33667	4.9
249.14734	6.1
285.16791	11.5
317.08026	5.4
341.06677	5.3
359.02719	12.3
385.09122	6.4
429.11917	30.0
429.21063	47.6
436.34973	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	427.357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26242	1.6
55.05507	8.2
57.07070	7.5
63.62516	1.4
67.05507	6.4
69.07066	32.9
71.06178	1.3
71.06531	3.3
71.08624	3.2
77.92636	1.5
79.05482	1.5
81.07077	10.0
83.08611	10.0
85.10179	1.8
87.67242	1.4
91.05499	2.0
93.07059	3.0
95.08595	8.0
97.10169	6.4
105.06989	1.8
107.08616	3.0
109.06564	1.5
109.10164	7.3
111.11718	3.6
119.08593	3.6
121.10179	3.3
122.07304	1.7
123.11697	1.8
124.61359	1.6
131.08601	2.1
133.10187	2.2
135.08101	3.1
137.09586	9.0
149.09566	8.3
149.13170	1.8
151.07533	2.1
163.11125	8.1
165.09103	100.0
166.09430	1.8
173.09685	2.0
173.13239	2.1
175.11182	4.7
176.08369	1.4
177.09106	7.3
177.12708	1.8
179.10608	2.6
189.09128	3.8
191.10635	9.1
203.10669	7.8
205.12219	10.1
217.12294	1.8
219.13828	3.1
231.13921	1.6
245.15379	1.6
289.21988	2.0
303.23495	1.4
345.27872	2.3
385.76178	1.6
427.35889	10.4
441.62335	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	427.1372
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
53.03927	0.8
55.01863	0.7
56.96551	3.7
70.06258	0.9
70.06594	9.3
71.02583	1.4
71.75647	0.6
72.08144	3.7
74.06087	1.0
84.04486	1.5
84.08134	4.2
86.09701	5.8
88.03945	0.7
91.05476	2.2
91.25129	0.6
93.91746	0.6
98.09720	0.7
98.97583	4.5
102.05557	0.7
110.07162	2.6
110.97524	1.0
116.07094	0.9
116.98595	1.5
120.08110	2.0
128.98615	0.8
129.10252	3.1
130.10544	0.7
136.07562	3.2
139.00697	0.9
158.99651	0.7
160.67467	0.6
161.01237	1.2
161.68073	0.7
177.00742	1.1
183.14665	0.6
185.37808	0.6
193.05292	0.9
199.02861	0.6
204.65669	0.6
205.05345	1.5
209.94666	0.6
211.02794	0.9
211.06424	1.9
219.01753	1.5
221.04959	0.6
223.06363	9.1
224.67409	0.6
225.04344	1.1
226.11803	0.7
234.79518	0.6
235.06438	1.8
237.02798	2.2
239.06256	0.7
239.09532	0.9
241.07387	3.8
247.06398	4.5
253.07492	4.4
265.07495	11.1
266.07861	0.9
271.08557	2.7
283.08511	16.3
301.09561	1.2
307.08508	2.8
367.10611	11.3
385.11334	0.7
427.13171	100.0
428.13501	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	428.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.9
60.04507	8.3
63.95660	6.3
67.05470	7.2
69.03395	9.3
69.07067	17.8
69.20632	40.8
69.21062	31.2
70.06589	35.8
71.04977	14.6
72.08137	17.6
74.29790	7.6
76.02211	13.1
79.05488	18.8
81.07047	65.8
83.04964	8.4
84.04494	53.8
84.08151	16.1
86.09695	9.2
88.02180	11.7
91.60243	6.3
93.07028	35.6
95.08587	30.5
96.04514	12.8
97.02905	7.8
98.06047	13.6
98.21526	16.2
99.04391	7.2
102.00109	10.0
105.07008	33.9
107.08599	51.0
109.10171	20.1
114.39790	6.2
119.08566	37.1
120.08140	9.3
121.10138	13.4
121.31794	6.9
121.41476	6.7
123.11687	10.7
126.05523	47.5
127.11147	8.0
131.08585	6.9
133.10121	47.9
135.11687	76.8
136.06117	11.3
137.05887	7.8
138.05496	100.0
144.01129	22.3
144.06543	20.5
145.10065	11.7
147.11652	28.5
161.13272	7.5
162.02209	44.5
168.06535	20.6
174.03932	42.3
177.05307	7.3
179.36763	6.5
184.40448	7.6
186.07655	32.5
190.01692	24.0
203.17824	38.4
208.02733	57.7
221.19002	14.3
309.21640	6.7
453.35226	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	427.3934
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
54.70497	3.6
55.05499	15.4
57.07063	18.1
62.21431	5.0
67.05499	30.0
69.07064	61.2
69.82178	18.7
79.05479	13.7
81.06594	7.7
81.07049	97.6
83.08631	24.5
91.05474	10.0
93.07042	26.5
95.08604	100.0
97.10158	11.9
102.19334	3.9
105.07019	17.8
107.08582	33.0
109.10147	80.0
111.11702	10.2
119.08582	17.9
121.10145	31.3
123.11681	41.8
126.07226	4.0
131.08522	5.4
133.10120	14.4
135.11705	20.7
137.13248	24.9
145.10110	6.0
147.11705	11.4
149.13251	18.9
159.11694	7.3
161.13242	13.1
163.14835	10.6
165.09175	5.0
173.13197	5.0
177.16362	11.6
179.14285	5.9
189.16382	5.8
201.16367	5.3
203.17928	6.3
217.19547	7.8
236.62506	4.7
285.26031	4.7
314.31125	4.7
409.38254	10.4
427.39719	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	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03944	1.9
54.61718	1.4
55.05507	13.0
57.07068	10.4
57.21294	1.8
67.05499	24.8
69.07070	20.7
70.06573	2.7
71.00397	3.9
71.08617	1.7
78.18392	1.5
79.05487	14.8
81.07053	60.4
83.08630	11.6
84.08113	2.3
86.54241	1.8
91.05480	10.8
91.16760	1.8
93.07042	35.5
95.04977	3.1
95.08603	100.0
97.10159	6.5
105.07037	26.8
107.08591	55.4
109.06495	2.8
109.10151	58.7
111.11713	3.0
112.07605	5.2
117.07025	2.3
119.08583	34.6
121.10139	49.0
123.08088	2.5
123.11704	39.4
125.09604	2.1
131.08543	6.6
133.10132	30.2
135.11685	31.7
137.12222	2.1
137.13240	31.3
138.54527	1.8
139.11162	2.5
143.08597	2.4
145.10129	11.9
146.46300	1.9
147.11694	18.8
149.09612	1.8
149.13251	29.9
150.02675	1.9
151.14799	3.1
157.10133	2.5
159.11728	15.4
161.13252	22.5
163.14828	13.6
165.12767	1.8
171.11696	2.8
173.13225	10.9
175.14830	13.3
177.16376	24.6
179.17885	1.9
185.13217	2.5
187.14822	8.7
189.16382	16.0
191.17943	21.9
195.05490	2.7
199.14789	3.3
201.16374	8.5
203.17953	23.5
205.19518	15.8
207.17368	2.5
215.17953	10.6
217.19521	24.4
219.17455	3.7
219.20985	3.5
221.18947	2.4
227.18028	1.9
229.19511	11.9
231.21056	4.3
233.19020	4.3
235.20514	2.2
241.19531	2.7
243.21019	4.3
245.22725	4.0
247.20560	5.1
255.21107	3.6
257.22571	8.3
257.26700	2.1
269.22656	4.1
270.48035	1.8
271.24240	4.2
273.22177	1.8
275.23727	6.3
283.24188	3.0
287.23688	4.2
301.25232	3.8
313.28790	3.6
315.26730	2.0
330.12784	1.6
353.31863	5.4
403.04895	6.9
407.36746	19.1
408.37146	2.1
425.30063	7.0
425.37750	56.9
426.37753	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	426.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01852	2.6
55.05504	17.0
56.05016	4.1
57.03421	6.3
59.04986	3.3
61.02913	4.0
67.05497	17.6
69.03432	14.8
69.07058	24.8
69.49545	14.8
69.49964	6.0
70.06589	30.8
71.04978	7.2
71.08633	2.7
72.08142	9.0
77.29823	2.1
78.61909	2.4
79.05470	8.9
81.03397	5.4
81.07047	36.9
83.04974	9.7
83.08611	10.7
84.04491	5.6
84.08132	8.6
85.02899	26.0
85.06535	7.1
86.09698	89.0
87.04446	2.8
91.05466	10.0
93.07026	14.8
95.04957	12.9
95.08607	41.5
97.02856	8.6
97.06516	6.6
97.10152	8.0
100.11248	2.9
101.05997	6.2
103.05514	2.7
105.07016	14.9
107.08585	13.6
109.02892	3.3
109.06480	7.3
109.10151	19.2
110.07153	5.0
111.08068	3.8
111.11682	7.1
116.49750	2.2
118.06877	2.7
118.08388	2.4
119.08589	12.7
120.08100	100.0
121.10114	5.6
123.11706	8.5
127.03941	5.7
130.04959	3.2
131.08553	5.8
133.06461	2.5
133.10150	13.3
135.08002	5.5
135.11694	9.1
137.06033	3.6
145.02811	4.3
145.10074	8.4
147.11655	13.0
149.09703	2.8
149.13263	3.1
151.07527	4.6
151.14813	19.5
159.08020	4.7
159.09283	2.6
159.11642	2.6
163.11159	4.2
165.12746	34.4
165.16351	2.8
166.08659	3.7
175.14841	16.2
177.05524	3.7
177.08958	3.4
185.19041	5.9
193.15849	16.6
205.15942	4.0
211.16911	46.9
229.17978	31.8
233.16483	31.7
247.16888	17.0
247.19089	4.1
261.15994	5.3
265.17984	35.4
284.85388	2.8
285.16953	14.0
309.54181	2.9
313.15402	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	427.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05022	0.3
56.85179	0.1
57.04557	0.5
60.04511	0.3
69.03421	0.3
69.07065	0.3
70.06588	5.1
71.06934	0.2
71.57182	0.2
72.08148	2.4
74.06051	0.4
79.92160	0.1
83.06085	0.3
84.04490	1.2
84.08130	2.5
85.08459	0.1
86.09702	3.4
87.10018	0.2
88.03961	0.2
91.05508	0.2
94.04051	1.4
96.05617	0.3
101.07130	0.2
107.04958	0.2
110.07155	1.9
112.05112	0.2
115.08685	0.2
116.07065	0.3
119.03548	0.2
120.08097	0.5
122.07176	0.2
123.04404	0.5
123.06693	1.0
124.04788	0.2
124.07564	0.4
129.10233	1.4
132.10147	0.2
133.05070	0.5
135.05434	0.2
136.07578	0.4
142.08615	0.2
147.11203	0.2
148.06148	0.3
150.07742	100.0
151.08128	1.2
152.07138	0.3
152.72029	0.1
176.05690	0.2
185.16504	0.2
195.08752	0.2
201.86739	0.1
218.14912	0.2
264.12198	0.3
265.07547	0.4
265.12585	0.9
281.59967	0.2
282.11938	0.8
283.08627	0.7
295.11481	18.9
296.11697	0.4
307.08588	0.6
325.09781	0.2
427.13736	1.0
427.18903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.55177	4.4
55.05498	12.8
57.07068	6.0
62.97266	4.2
63.89571	4.2
67.05506	32.7
69.07057	21.4
69.48771	4.2
69.77406	4.2
70.69418	12.1
70.69750	4.0
73.15656	3.6
79.05479	19.5
81.07052	68.9
83.08602	17.2
84.04472	4.3
91.05470	19.7
93.07038	28.9
95.07997	5.2
95.08605	100.0
97.06565	4.8
97.10188	8.7
105.07033	28.2
107.08593	65.1
109.10151	65.8
119.08569	35.7
121.10131	44.6
123.11685	29.4
130.04951	7.0
131.08551	15.0
133.10120	35.5
135.11705	33.8
137.13306	27.6
145.10115	11.4
146.35451	4.9
147.11682	19.2
149.13254	37.0
159.11699	15.6
161.13272	23.7
161.87569	4.7
163.14833	19.3
171.11739	5.4
173.13272	10.1
175.14812	17.8
177.05466	10.9
177.16385	26.9
187.14824	12.2
189.16365	16.2
191.17914	16.0
201.16409	10.3
203.17973	22.1
205.19478	14.4
215.17941	15.2
217.19684	20.9
229.19550	17.0
231.21075	5.1
233.18988	6.9
247.20621	8.3
257.22650	8.3
287.23795	7.3
313.28726	4.8
341.66345	5.5
353.32037	6.8
371.21848	4.4
388.48264	4.6
402.40466	4.5
407.36853	20.7
425.10547	4.7
425.38004	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	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05503	14.4
57.07068	8.7
61.01748	2.1
64.19344	2.2
67.05501	19.9
69.07066	16.8
69.29061	21.8
70.06590	2.2
71.08632	2.3
71.87716	2.0
79.05483	10.3
80.03216	2.0
81.07053	58.5
83.08636	11.7
87.37910	2.0
91.04995	2.5
91.05467	15.1
92.53732	2.4
93.07050	27.5
95.04987	2.0
95.08604	100.0
97.10165	6.6
98.16651	2.1
105.07037	22.3
107.08593	49.6
109.10148	58.3
111.11687	3.5
117.07029	2.9
119.08572	38.5
121.10134	41.8
123.11686	32.5
125.09631	3.4
131.08569	9.3
131.93111	2.3
133.10124	27.6
135.11691	26.9
137.09631	3.1
137.13249	30.9
139.11188	3.5
145.10149	12.0
147.11681	16.1
149.13249	30.3
151.14806	4.2
159.11668	11.7
161.13274	23.1
163.14857	13.7
171.11678	4.1
173.13225	10.4
175.14772	12.4
177.05423	3.3
177.16400	22.6
185.13313	2.6
187.14824	6.8
189.16371	17.6
191.17931	22.0
193.05063	2.6
201.16402	11.6
203.17955	23.4
205.19528	16.8
213.16402	2.2
215.17937	11.7
217.19518	19.6
219.17490	2.6
219.21083	4.6
221.18979	2.6
227.17885	2.9
229.19582	14.2
231.21072	4.4
233.18929	4.6
243.21140	4.8
245.22614	5.3
247.20610	6.7
257.22690	7.1
269.22607	2.8
269.45062	2.3
271.24252	2.5
275.23657	6.5
279.10602	2.0
283.24414	3.0
287.23785	5.9
297.25711	2.2
301.25131	2.7
313.28903	3.6
353.31943	3.9
397.99277	2.3
407.36765	20.2
425.32324	4.5
425.37823	64.5
425.43500	3.5
426.37598	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	425.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.1
55.01861	23.6
55.05500	28.8
57.07076	11.4
67.05499	94.7
69.03426	37.4
69.07063	30.4
71.04972	13.4
71.51840	7.7
71.52213	8.9
79.05485	28.1
81.03415	50.3
81.07050	100.0
83.08620	20.7
85.02921	11.0
85.06510	6.5
85.10168	8.6
86.06865	6.3
86.20821	6.2
91.05477	31.8
93.07037	47.3
95.04961	8.7
95.08611	81.6
97.02891	66.2
97.10181	10.3
99.04433	64.2
105.07014	18.0
107.08588	28.2
109.02876	22.4
109.10158	32.4
119.08593	29.9
121.10114	23.7
123.11684	17.4
127.03909	69.4
133.10124	20.2
135.11682	16.3
144.59761	7.0
145.04951	9.4
145.10089	8.9
147.11649	11.9
148.93936	8.0
149.13263	10.3
161.13229	12.3
163.14857	10.4
175.14754	8.1
177.16418	12.9
187.14888	10.9
189.16440	11.4
215.24440	7.3
263.23737	24.3
319.37949	7.2
425.33936	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	425.3411
Annotation	Maragenin II
Peak:m/z	Relative Intensity
55.05510	7.4
55.24961	1.3
56.46474	1.3
57.07064	2.6
67.05506	15.6
69.03408	1.7
69.07066	9.3
69.36732	7.8
69.37136	3.1
70.06602	2.8
76.50655	1.3
79.05506	5.9
81.07061	13.6
81.76037	1.2
83.04992	1.2
83.08616	4.4
84.08118	2.0
86.09698	3.0
89.44492	1.1
91.05476	9.3
91.50104	1.2
93.07034	13.3
95.04973	1.4
95.08602	100.0
96.08923	1.9
97.10169	2.9
98.21537	2.2
105.07038	11.3
107.08593	15.0
109.06504	2.4
109.10157	11.9
117.03431	2.0
117.07008	1.8
119.08566	17.6
121.06486	2.3
121.10135	10.1
123.08086	2.9
123.11679	6.6
131.08572	3.9
133.10117	12.0
134.78267	1.4
135.07945	1.6
135.11682	11.6
137.09622	2.0
137.13242	3.7
142.07805	1.7
143.08527	2.3
145.02835	4.1
145.10139	4.4
147.11670	6.9
149.09578	2.0
149.13245	5.8
157.10074	4.0
157.22855	1.6
159.11691	5.6
161.09589	2.3
161.13266	4.3
163.11177	1.9
163.14838	1.7
165.09088	2.3
171.11659	1.5
173.13257	4.3
175.11284	2.1
175.14850	6.7
177.05495	6.8
177.12672	1.5
177.16357	1.7
183.11722	1.9
185.12944	1.5
187.14809	5.2
189.12733	2.2
189.16365	16.2
191.17947	15.3
193.15871	2.0
199.14917	3.3
201.16386	3.6
203.14293	9.6
203.17917	6.4
205.15923	2.3
205.19551	1.8
207.17412	2.3
215.14317	2.2
217.15857	9.8
217.19527	1.5
219.17529	2.3
227.17935	2.0
229.15874	2.1
229.19724	1.4
233.15285	2.9
235.16943	1.7
255.17412	1.9
257.18930	2.3
299.23447	1.6
299.26926	1.3
313.25092	6.3
339.63074	1.6
343.68268	1.2
389.31821	2.0
407.33072	46.2
408.33517	3.0
425.25836	1.9
425.34116	23.1
426.34357	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	425.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
59.04987	0.7
60.87567	0.5
67.05498	1.4
68.99773	0.6
69.07077	2.7
70.06580	1.5
70.97687	1.4
79.05476	1.2
81.03403	0.5
81.06657	0.5
81.07062	5.5
84.08133	1.3
86.09675	1.0
91.05434	1.0
93.07043	1.0
95.08601	2.1
100.11233	1.5
101.00868	0.5
107.08562	0.9
109.02885	0.5
110.07125	0.6
117.03368	1.1
119.01910	1.4
133.10107	0.6
137.13266	0.8
142.73640	0.5
143.01921	0.8
145.02835	2.0
149.06017	0.7
161.02968	1.0
161.13234	0.6
165.09096	1.2
175.04410	0.6
177.05499	4.2
182.15489	0.6
187.00920	0.9
198.19255	0.5
203.05307	0.6
204.01395	0.5
224.15057	0.6
224.88770	0.5
227.05238	1.8
229.01794	0.6
243.04730	1.5
245.06248	5.8
249.26468	0.5
271.04178	1.1
287.03723	3.5
289.05280	21.2
339.17694	2.9
363.17712	1.0
365.28839	0.8
381.18820	26.8
382.18961	1.0
425.17789	100.0
426.18076	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	425.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09338	1.1
53.03941	1.5
67.05490	2.4
69.03402	1.7
69.07068	1.9
70.06590	1.7
70.12594	1.2
70.12930	5.7
79.05452	1.6
81.07046	6.7
89.03916	1.7
92.44739	1.3
93.07005	1.7
95.04983	1.6
95.08589	3.4
98.20813	1.7
105.07018	1.8
109.02901	1.5
109.10086	1.7
117.03363	2.3
119.01916	4.3
119.08579	1.7
127.03916	2.9
143.01945	1.8
145.02841	6.3
145.10150	2.4
161.02921	2.8
165.09070	3.6
177.05452	12.2
187.00786	3.2
203.05240	2.6
227.05338	2.0
243.04744	14.6
245.06317	10.2
271.04190	2.3
287.03717	100.0
289.05289	96.0
290.05508	2.6
381.18765	8.2
419.25012	1.4
425.17789	86.0
426.18231	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	425.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05368	3.7
53.03939	9.0
55.01868	7.4
55.05500	22.7
57.03433	8.3
57.07053	6.8
62.08017	3.7
63.02927	3.8
67.05504	97.9
69.03429	11.2
69.07057	35.0
71.04998	10.8
71.08631	4.2
71.51781	3.9
71.52190	4.6
73.02911	8.9
79.05487	31.9
81.03414	13.2
81.07057	100.0
83.04959	5.0
83.08606	17.0
85.02884	8.2
85.18809	3.9
89.06013	12.3
91.05477	24.0
93.07018	30.2
95.08603	65.0
97.02883	97.6
97.10162	8.9
99.04446	37.2
105.07041	19.8
107.08604	20.3
109.02892	10.8
109.10160	32.9
111.08009	4.2
119.08562	19.5
121.10126	16.7
123.11701	19.6
127.03921	34.2
131.08609	7.3
131.11742	4.7
133.10114	14.4
135.11678	16.4
137.13255	12.6
145.04939	11.2
145.10136	4.9
147.11655	10.6
149.13246	10.3
151.35678	4.1
161.13257	9.4
163.07324	3.9
163.14839	11.7
166.55446	4.9
167.31029	4.4
175.14816	4.0
221.01256	5.0
231.30989	4.1
239.14783	7.8
240.14957	4.4
245.22600	8.5
263.23743	36.1
293.81232	5.0
414.04468	5.1
425.33789	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	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01868	5.4
55.05502	6.7
56.05032	1.8
57.03424	5.7
58.41382	1.4
61.02916	5.1
65.70067	1.5
67.05503	28.1
68.99793	3.4
69.03427	33.8
69.07059	3.4
70.06596	13.3
71.04989	4.7
71.55032	2.0
72.08143	3.4
73.02901	4.6
76.56212	1.5
79.05490	5.4
81.03429	20.1
81.07053	32.6
82.07367	2.1
84.04518	5.1
84.08154	7.1
85.02904	100.0
86.09708	10.4
86.35190	1.4
87.00829	42.0
91.03947	1.7
91.05481	3.8
93.07067	2.0
95.08601	2.4
97.02889	32.1
99.04447	9.4
103.05402	1.6
105.01865	85.7
105.07050	2.6
107.04999	1.8
107.08565	2.0
109.02877	23.7
110.07161	3.6
110.62775	1.5
117.01849	1.8
117.03335	2.8
119.04952	2.2
119.08613	1.8
120.08109	7.8
123.11713	7.4
127.03915	71.9
129.01868	3.0
129.06604	1.5
129.10228	4.3
130.05025	3.5
136.07565	3.0
137.06047	2.4
145.02852	4.3
145.04956	34.1
145.06032	2.4
147.02821	1.6
152.07065	2.1
159.02905	12.5
164.12512	1.6
166.08638	2.4
177.05466	10.1
179.06775	1.4
189.03886	2.7
213.03902	2.1
231.04985	19.6
246.14560	1.4
249.05981	9.5
399.62344	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	425.1417
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
54.32968	0.3
55.01872	0.3
55.05498	0.7
56.05022	1.0
57.03427	0.3
60.04531	0.7
69.03406	0.4
69.07055	0.4
69.85698	1.7
70.02938	0.4
70.06589	8.4
71.04977	0.3
71.40876	0.3
72.08151	4.3
74.06060	0.7
81.03405	0.3
81.07049	0.3
83.06107	0.6
84.04503	2.0
84.08133	3.9
85.02885	0.4
85.08451	0.4
86.09698	5.3
86.26453	0.3
88.03982	1.2
88.61333	0.3
91.05459	1.9
97.06537	0.4
98.21519	0.3
101.07130	0.4
102.05517	0.7
104.05257	0.3
110.07136	2.0
112.08726	0.5
116.07062	0.5
117.03375	0.3
119.04885	0.5
120.08078	2.3
123.04428	0.4
129.10223	3.1
130.05006	0.4
130.10522	0.3
132.08084	0.4
132.10191	0.4
133.06105	0.3
135.04420	0.3
136.07603	1.5
137.06094	0.3
143.11684	0.3
145.02852	1.0
147.04395	0.9
148.04755	0.3
149.05981	0.4
152.07007	0.5
159.09221	0.4
160.07484	0.3
164.07164	0.3
173.12840	0.4
177.05453	1.5
185.16461	0.3
187.43190	0.3
213.12375	1.4
244.12798	0.5
245.15532	0.3
251.65895	0.3
270.54932	0.3
293.09891	1.9
311.09723	0.6
425.14139	100.0
426.14447	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	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67689	3.2
55.05509	10.2
57.43632	3.0
66.54295	2.8
67.05495	15.1
69.03430	5.7
69.07056	11.4
70.06591	11.1
71.04991	4.1
71.32156	6.1
79.05502	8.6
81.03414	3.6
81.07063	24.1
83.04980	4.3
83.08614	7.8
84.08148	5.8
85.06535	4.9
86.09705	5.8
88.57624	3.5
89.03915	3.4
89.18433	3.4
91.05476	8.7
93.07068	9.3
95.04985	3.1
95.08612	14.4
97.06519	4.1
100.11272	5.8
105.07042	13.5
107.04959	4.5
107.08578	11.5
109.06523	3.5
109.10153	10.9
110.07162	3.6
112.25381	3.1
117.03374	9.1
117.07022	3.6
119.01920	5.9
119.08600	12.6
120.08117	4.7
121.06519	4.3
121.10160	7.3
127.03914	2.9
129.07005	3.4
131.08562	3.7
133.10117	8.1
135.08063	5.0
135.11697	5.5
137.09637	5.8
145.02866	20.4
145.10147	10.6
147.11673	4.2
149.06006	5.1
149.09663	5.3
149.13286	5.0
151.03990	3.3
157.10126	7.3
159.11746	5.7
161.02901	6.0
161.09689	5.7
165.09111	36.9
170.15445	3.8
171.11777	3.9
177.05450	46.7
179.50456	3.2
185.12985	3.9
201.03702	3.8
218.56247	3.2
223.14844	3.9
243.04761	11.3
245.06378	12.1
250.44559	3.2
287.03729	79.0
289.05301	100.0
319.88007	3.6
381.18842	3.8
425.11752	3.7
425.17801	78.8
425.24127	5.4
425.26208	7.5
425.33920	12.6
426.17920	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	425.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	10.9
56.05033	16.5
57.03440	4.4
58.06592	4.2
60.04515	6.7
61.01140	5.0
65.31353	3.0
67.05488	4.5
69.03420	6.7
69.07060	8.6
70.06593	95.7
72.08154	32.7
74.06064	11.2
75.34160	2.7
76.04019	3.1
79.05486	3.3
81.03417	6.0
81.07066	4.3
81.25245	3.0
81.88291	3.2
82.06593	3.8
83.06100	8.3
84.04503	34.7
84.08146	51.8
85.02891	6.7
85.04818	3.0
86.09707	94.2
87.10040	5.8
88.03979	8.2
91.05456	8.3
93.07040	5.0
95.04967	4.1
95.08578	7.4
97.02851	3.0
98.21684	4.5
98.97573	8.0
101.07134	3.1
102.05537	9.2
103.05430	4.3
104.05309	5.0
105.07028	3.1
105.61351	3.1
107.08596	4.2
109.02841	3.8
109.06474	3.4
110.07157	32.9
112.08723	4.0
114.05551	3.2
115.08705	6.8
116.07055	7.0
116.98618	7.9
117.03354	5.4
119.04918	8.2
120.08104	94.2
121.08429	5.8
127.03979	4.2
127.08657	4.5
129.10243	33.9
130.04926	5.9
130.06546	3.2
132.04469	3.4
132.10194	3.3
133.03290	3.1
133.06421	3.3
135.04414	3.7
136.06232	4.5
136.07568	31.9
137.07895	13.2
145.02806	8.2
147.04395	6.5
148.06155	11.4
148.07455	3.1
149.05942	4.5
150.05785	5.6
150.07680	3.3
152.07085	4.6
156.07663	5.7
159.11375	3.0
165.10252	5.5
165.18250	2.7
166.08661	3.3
177.05435	21.6
187.14482	8.0
188.14732	3.4
199.10788	3.2
199.39565	2.9
201.12373	6.5
202.08517	3.2
204.12498	13.4
245.04413	4.3
264.14517	17.5
266.12177	6.7
276.13553	6.8
323.11652	4.3
425.15564	100.0
425.33951	4.1
426.19836	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	423.2739
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
52.02266	4.6
53.03941	11.1
55.01855	13.5
55.05514	35.0
56.74709	4.3
57.01445	4.6
57.03424	10.8
57.07081	5.6
58.82724	5.6
67.05505	79.4
69.03432	37.0
69.07070	37.5
69.91014	7.5
69.91422	18.7
70.74805	4.3
71.05006	11.7
77.32784	4.8
79.05493	56.5
81.03396	37.2
81.07055	100.0
83.04973	9.3
83.08627	15.3
85.02896	19.5
91.05479	54.6
92.35465	4.3
93.07040	71.0
95.04958	19.1
95.08595	81.4
97.02892	13.6
97.06525	9.2
97.10173	11.2
99.08128	7.0
105.07023	56.8
107.04977	10.2
107.08604	43.2
109.02870	10.4
109.06521	12.2
109.09519	5.6
109.10126	35.8
111.04441	14.2
115.03987	4.5
117.07001	27.9
119.08572	40.3
121.06509	9.8
121.10136	39.0
123.04473	7.2
123.08109	9.0
123.11694	16.7
127.03982	5.4
129.07011	18.7
131.08568	38.2
133.06468	8.9
133.10143	36.3
135.08025	5.5
135.11690	21.9
143.08553	12.2
145.10092	29.0
147.11630	27.5
149.09633	7.5
149.13261	21.1
155.08598	6.5
157.10133	19.4
159.11656	26.2
161.09601	6.3
161.13246	20.8
163.11153	7.9
163.14839	7.4
169.10094	10.8
171.11682	8.3
173.13286	20.9
175.14873	10.1
177.12769	5.5
179.14478	5.1
183.11607	6.9
185.13266	12.0
187.11208	7.5
187.14868	11.5
197.13213	7.3
199.14702	7.9
241.19463	10.1
243.21123	9.7
246.69611	5.1
259.20538	18.8
261.22110	19.3
271.20331	6.5
273.22101	7.7
275.23807	5.2
301.21652	6.8
303.23090	31.5
327.22952	6.8
341.24844	8.3
345.23901	5.3
351.23373	11.2
369.24258	27.9
377.83731	5.4
387.25159	34.5
397.54974	5.5
405.26306	34.4
423.26999	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
55.05508	8.0
57.03430	3.8
57.07080	5.6
67.05503	17.2
69.03411	3.4
69.07056	8.7
69.29585	1.7
69.29932	12.1
71.04979	2.4
71.08629	5.2
79.05486	12.4
81.03416	3.2
81.07050	23.4
83.04961	2.9
83.08607	4.6
85.02891	1.9
85.06537	2.6
91.05466	9.2
93.07041	14.1
95.04958	4.3
95.08604	17.3
97.06526	2.6
97.10194	1.8
99.08086	3.3
105.07029	11.8
107.04930	1.1
107.07935	1.8
107.08585	10.1
109.06499	17.3
109.10151	7.4
110.94067	1.1
117.07012	3.0
119.08578	10.1
121.10149	6.0
122.07253	1.9
123.08054	34.4
123.11707	3.4
129.05553	1.6
129.06956	1.3
131.08556	6.2
133.10179	6.3
135.08037	6.6
135.11679	3.8
137.09714	1.2
143.08537	1.6
145.10117	6.4
147.11667	5.5
149.09581	2.7
149.13290	3.0
157.10097	1.7
159.11714	4.5
161.13205	2.4
163.14801	1.4
165.12834	1.6
169.10143	1.4
171.11687	1.5
173.13226	3.4
175.14888	2.9
177.12766	1.5
179.14294	83.1
180.14647	2.0
187.14856	2.1
191.14270	1.5
193.15884	3.2
199.14905	1.4
205.15895	2.7
233.19014	1.3
259.20874	1.6
275.20096	2.4
277.16858	1.6
289.21567	1.6
303.23251	2.7
303.26862	3.3
331.26279	36.2
332.26233	1.8
349.27335	7.5
351.23456	2.1
369.24326	2.5
387.25076	1.7
405.30756	2.0
423.31058	100.0
423.35318	3.6
424.31461	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99695	0.7
53.03935	1.0
55.01862	1.6
55.05510	6.8
56.18147	0.7
57.03415	2.7
57.07072	5.8
65.03928	1.1
67.05499	13.2
69.03446	0.8
69.07062	8.0
69.55436	0.8
70.70197	2.3
71.04987	1.9
71.08638	3.7
71.14594	0.7
79.05489	10.1
81.03429	1.1
81.06606	1.1
81.07054	17.7
83.04961	1.7
83.08612	3.7
85.06517	2.2
91.05466	5.6
93.06485	1.2
93.07036	12.3
95.04950	1.4
95.08601	13.4
95.09542	0.7
97.02879	8.5
97.06499	2.5
97.10158	1.3
99.04442	3.5
99.08077	2.9
105.07032	7.8
107.08594	10.7
109.06507	15.2
109.10136	6.3
111.08046	2.1
117.06995	2.1
119.08577	7.0
121.06491	1.2
121.10138	7.5
122.07296	1.3
123.08060	32.2
123.11690	1.7
127.03890	2.7
131.08543	3.1
133.10101	4.1
135.08051	7.1
135.11676	3.2
137.09607	1.7
137.13216	0.7
145.10106	3.4
147.11668	3.8
147.23175	0.8
149.09570	1.4
149.13242	2.3
155.70958	0.7
157.10078	1.1
159.11705	2.1
161.13235	1.9
165.12727	0.8
167.14355	1.0
173.11780	0.9
173.13268	2.0
175.14841	1.3
177.12726	1.7
179.14297	75.4
180.14671	1.9
187.14822	2.1
191.14262	0.9
193.15955	1.7
201.16498	0.9
203.17899	0.9
205.15906	2.8
215.18037	1.0
233.19002	1.5
261.22125	2.2
275.20023	2.3
289.24960	1.0
293.21204	1.3
303.26785	1.9
316.70145	0.8
331.26282	32.8
331.30161	1.8
332.26782	2.1
349.27390	10.5
350.27802	1.1
405.30072	2.8
423.31036	100.0
424.31500	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.0
53.03949	8.8
53.65520	1.4
55.01863	8.4
55.05279	2.6
55.05509	30.4
57.03436	11.4
57.07053	5.1
57.84183	1.5
61.02888	1.7
63.22760	1.6
65.03928	5.0
67.05502	92.1
68.05841	1.5
69.03426	42.8
69.07063	35.5
69.59557	11.4
71.01340	2.4
71.04675	1.3
71.04990	11.2
71.05302	2.1
73.02901	3.9
79.05489	75.4
80.54919	1.5
81.03413	51.5
81.07048	100.0
83.04973	10.5
83.08617	15.2
85.02901	18.0
85.06535	2.5
87.04442	2.5
91.05472	66.5
93.07034	92.9
94.07349	2.3
95.04958	17.0
95.08598	76.1
97.02878	12.4
97.06526	7.6
97.10178	3.8
99.04444	10.2
99.08065	3.0
103.03922	5.5
103.05444	1.8
105.04478	2.2
105.07027	55.9
107.04941	7.8
107.07887	3.0
107.08585	53.0
109.02882	9.0
109.06528	7.8
109.10149	34.3
111.04444	9.6
111.08054	4.8
115.03937	1.8
115.05421	3.7
117.07006	30.1
119.08573	50.4
121.06510	9.6
121.10133	42.2
123.04430	2.9
123.08047	6.5
123.11703	13.5
125.09599	4.7
127.03928	8.3
128.06197	4.4
129.05449	4.7
129.06999	15.8
130.07767	2.2
131.04970	2.0
131.08554	41.0
133.06453	5.4
133.10117	36.1
135.08015	6.6
135.11691	33.0
137.05901	2.5
137.09590	4.8
137.13232	3.8
139.11125	5.0
141.06949	5.1
142.07784	3.0
143.08582	16.4
145.05016	1.8
145.06456	5.2
145.10114	29.8
147.07979	5.2
147.11676	27.9
149.09563	4.5
149.13252	21.4
151.11189	3.1
154.41118	1.6
155.08511	5.5
156.09360	1.8
157.06468	1.7
157.10129	12.8
159.08008	4.0
159.11671	25.0
161.09566	4.1
161.13245	21.8
163.11166	4.7
163.14775	5.4
165.09103	1.8
167.08427	2.5
169.10129	7.2
171.07956	3.8
171.11676	12.4
173.09573	3.7
173.13222	19.1
175.11160	4.3
175.14793	7.2
177.12761	4.0
179.14122	2.0
181.10147	2.1
183.07974	1.8
183.11705	5.9
185.09601	2.3
185.13281	11.3
187.11160	3.6
187.14798	7.1
189.12671	3.1
189.16374	2.8
190.92291	1.6
191.14282	3.7
193.10091	2.3
195.11719	2.2
197.13260	3.3
199.11145	5.4
199.14757	6.9
201.12711	2.2
201.16309	3.3
207.13591	1.7
209.13220	3.4
211.11229	2.5
211.14807	3.6
213.12686	3.0
213.16370	3.6
215.14252	3.0
217.15855	1.8
221.15311	2.9
227.14290	2.2
231.21149	2.2
233.15335	3.0
235.13225	2.5
241.19496	6.4
243.21025	4.9
247.13213	1.9
247.16910	2.0
249.14835	3.7
259.20590	18.5
261.22092	29.6
271.20465	3.8
273.22116	7.0
275.20325	1.6
275.23615	3.5
277.21683	8.2
279.23215	3.7
285.22055	2.4
289.21582	6.6
291.23166	5.2
297.21915	2.6
301.21533	4.5
303.23129	16.9
313.21466	2.1
315.23083	6.1
317.20932	1.8
317.24518	2.2
319.22693	3.3
327.23148	4.5
331.22562	2.5
341.24664	5.0
345.24112	3.5
351.23157	7.7
359.25677	3.6
369.24213	26.2
387.25256	19.7
405.26306	25.6
423.27338	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43371	2.7
53.03944	6.9
55.01870	21.2
55.05518	23.9
57.03428	7.4
57.07059	5.5
62.48992	2.5
65.03941	5.0
67.05505	84.4
69.03431	40.4
69.07071	22.1
71.05000	16.5
71.50501	4.6
73.02907	7.0
74.37088	2.7
76.08032	2.6
79.05499	57.4
81.03418	43.1
81.07053	84.3
83.04987	5.1
83.08625	9.6
85.02903	18.8
85.06532	3.8
91.05481	34.7
93.07044	59.3
95.04968	8.7
95.07997	3.2
95.08607	66.9
95.09187	4.9
97.02885	56.5
97.06556	6.0
97.10178	3.4
99.04451	61.5
105.07041	25.7
107.08594	35.4
109.02881	30.0
109.06525	15.1
109.10168	25.8
111.04446	7.1
111.08105	3.7
117.07040	9.5
119.08588	20.6
121.06568	3.4
121.10147	35.7
123.08056	49.3
123.11675	13.2
125.09686	2.5
127.03912	75.5
131.08566	16.9
133.10123	22.4
135.08072	10.4
135.11687	21.3
137.09624	5.5
137.13257	5.3
145.04918	12.3
145.10178	12.1
147.11697	15.3
149.13301	11.0
157.06522	2.5
159.11662	12.7
161.13223	11.9
163.14838	7.0
165.61208	2.6
173.13298	11.4
175.14784	5.9
177.12767	5.3
179.14337	30.9
187.14787	3.6
191.14374	3.3
208.07149	2.6
241.19656	3.1
243.21281	5.6
259.20547	7.8
261.22150	19.1
275.20282	4.6
277.21848	4.9
279.22934	3.0
293.21176	2.7
331.26306	38.0
336.51031	2.4
342.41125	2.5
349.27524	9.7
384.75473	2.8
387.25156	3.8
423.31235	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.1
55.01879	11.7
55.05510	20.2
57.03421	10.0
57.07057	4.5
65.03945	2.9
67.05502	73.4
69.03423	17.1
69.07065	17.9
70.76592	5.0
70.76936	4.3
71.04987	9.2
73.02907	6.3
79.05022	3.4
79.05487	65.7
81.03417	14.4
81.07053	70.0
81.07533	3.8
83.04964	4.0
83.08602	10.9
85.02905	4.1
85.06522	3.9
89.06054	2.7
91.05470	33.9
93.07043	64.4
95.04955	8.1
95.08604	57.6
97.02886	100.0
97.06542	2.5
97.10184	4.5
99.03851	4.0
99.04455	44.9
105.04476	2.3
105.07034	24.6
107.08581	35.5
109.02869	15.1
109.06515	3.3
109.10149	29.1
117.07026	10.6
119.08568	22.5
121.10139	35.7
123.08092	4.3
123.11699	8.3
125.09584	4.0
125.76254	2.3
127.03912	28.3
129.07039	2.3
131.08548	17.6
133.10117	17.0
135.11707	25.7
143.08528	3.3
145.04921	11.6
145.10109	10.9
147.11694	8.5
149.13235	10.8
159.11708	7.7
161.13260	9.2
163.14771	3.4
173.13239	5.6
175.14731	2.5
179.14392	2.7
187.14859	3.2
201.16348	3.5
218.91599	2.7
230.45160	2.3
243.21040	5.6
248.37920	2.3
259.20587	4.0
261.22168	22.8
279.23065	2.6
345.24130	2.5
349.12717	5.5
423.16516	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.6
55.01862	8.5
55.05507	27.3
57.03423	12.5
57.07056	3.2
61.02903	3.2
62.49365	2.6
65.03927	4.1
66.15600	2.5
67.05502	90.2
69.03426	51.3
69.07064	22.3
71.01364	2.5
71.04977	9.8
73.02897	4.7
79.05491	66.6
81.03413	57.6
81.07053	100.0
83.04976	12.8
83.08622	15.2
85.02900	27.7
85.06545	3.9
91.05474	52.5
93.07042	77.7
95.04957	13.4
95.08602	69.3
97.02892	20.9
97.06528	9.5
97.10150	6.7
99.04433	7.7
99.08091	3.4
103.03921	2.8
105.07027	49.7
107.04939	8.7
107.08581	49.5
108.55225	2.8
109.02878	6.6
109.06506	9.7
109.10155	37.7
111.04440	6.2
111.08080	4.5
117.07010	19.7
119.08567	41.3
121.06483	6.7
121.10139	42.9
123.04409	4.1
123.08033	6.2
123.11700	11.8
125.09657	5.3
127.03931	9.4
128.06219	3.7
129.05501	4.0
129.06989	11.7
131.08562	33.2
133.06453	5.1
133.10132	32.0
134.10542	3.1
135.08047	4.2
135.11693	31.2
137.09579	4.3
137.13264	3.2
141.06999	3.5
143.08546	13.4
145.06444	5.2
145.10133	20.6
147.07965	4.2
147.11700	20.8
149.09546	7.2
149.13264	15.3
155.08492	4.5
157.10129	10.1
159.11649	22.3
161.09598	4.4
161.13205	16.1
163.07457	2.8
163.14835	5.8
164.20227	2.9
169.10100	6.6
171.08028	4.8
171.11653	7.0
173.09605	4.1
173.13213	15.9
175.11267	6.3
175.14859	7.5
177.12718	4.2
177.16513	3.0
179.14378	4.2
181.10094	3.0
183.11687	12.7
185.09612	5.2
185.13283	6.1
187.14832	6.8
189.12698	5.8
195.11647	2.8
197.13231	3.9
199.14783	4.4
205.12357	2.8
211.14876	4.3
233.15359	3.5
241.19482	4.9
243.21100	7.3
249.14934	3.6
259.20563	12.1
261.22095	33.9
263.16367	3.0
271.20605	4.2
275.20093	3.3
277.21674	6.6
289.21667	5.6
291.23242	4.2
297.22119	4.3
303.23099	11.5
315.23132	4.4
319.22827	3.2
327.23126	5.4
341.24692	4.5
345.24408	5.3
351.23239	7.7
369.24252	19.3
387.25089	15.4
405.26328	24.9
409.37189	2.6
423.27213	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	423.2738
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
50.63825	3.2
53.03940	6.5
53.05680	3.5
55.01886	3.9
55.05513	29.0
57.03427	13.2
57.07063	5.7
61.99631	3.5
65.03949	3.6
66.68240	3.7
67.05502	100.0
69.03425	33.8
69.07079	27.4
71.04978	10.6
71.60542	7.3
73.02924	5.7
79.05067	6.8
79.05492	65.4
81.03413	43.9
81.07053	94.2
83.04975	11.9
83.08612	16.9
85.02905	13.1
85.79802	3.8
91.05477	52.9
93.07039	71.7
95.04967	17.8
95.08600	71.8
97.02884	14.1
97.06526	9.2
97.10137	6.6
97.77314	3.5
99.04428	11.6
105.07022	44.3
107.04955	7.2
107.08590	44.2
107.11317	3.7
109.06527	10.6
109.10159	37.6
111.04465	6.7
111.08089	4.4
117.07013	25.2
119.08578	41.7
121.06532	8.9
121.10139	44.3
123.08049	5.2
123.11695	14.9
127.03915	6.2
129.05482	5.4
129.07011	10.7
131.08565	35.8
131.90106	3.8
133.06429	7.9
133.10115	31.2
135.08105	7.3
135.11713	24.0
137.13199	4.1
141.07054	3.9
143.08571	15.2
145.06451	4.6
145.10100	22.3
147.08093	6.8
147.11696	25.2
149.13202	19.8
155.08539	7.4
157.10120	10.6
159.11699	26.9
161.09593	6.5
161.13287	24.0
171.11681	8.9
173.11812	8.3
173.13228	15.7
175.14868	12.2
177.12807	5.2
180.31081	3.7
183.11748	5.2
184.07469	7.5
185.13251	8.9
187.14789	6.8
195.13759	4.2
197.13313	4.3
226.05339	4.1
241.19556	8.1
259.20523	11.4
261.22186	26.3
273.22162	6.8
275.19928	4.4
275.23636	6.1
277.21738	6.3
281.15274	4.2
289.21500	4.4
291.23218	7.6
303.23242	19.1
315.23181	6.8
319.22653	7.0
341.24777	4.9
345.24231	6.9
351.23114	9.3
369.24219	19.3
387.25259	23.4
405.26324	31.5
423.27280	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	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05515	4.9
56.05032	7.1
60.04525	6.7
60.05638	1.1
61.01133	0.9
67.05478	1.2
68.05027	1.1
69.07065	3.8
70.02962	1.1
70.06591	35.0
71.06906	0.9
71.51591	0.7
72.08154	28.9
74.00674	1.0
74.06083	2.8
74.19696	0.6
75.05579	1.1
76.04007	0.9
78.71686	0.8
81.07059	1.2
82.06569	1.7
83.06107	31.3
83.06606	1.6
84.04504	36.6
84.08142	33.5
85.02904	1.4
86.09705	100.0
86.54698	0.6
87.05591	2.2
87.10038	2.3
88.03999	2.1
91.05483	11.2
92.05801	0.8
93.07056	0.7
94.06567	0.8
95.04980	1.0
97.02913	0.7
97.06551	4.0
98.06036	1.1
98.06876	1.0
99.05595	2.8
101.07140	6.8
101.10776	1.2
102.05542	4.2
103.05468	1.8
104.05361	1.0
107.04961	3.9
107.08572	0.7
108.04424	0.9
110.06072	0.7
110.07156	4.4
112.04025	0.9
112.08743	1.9
113.07159	1.1
113.34480	0.7
115.08711	1.4
116.01738	1.0
116.07129	1.6
119.04951	9.4
120.08101	26.2
121.06508	1.4
121.08482	1.4
123.04417	3.2
124.07600	5.9
125.07064	0.8
125.61588	0.7
127.08688	0.9
128.10718	1.0
129.06619	2.8
129.10240	21.2
130.05008	2.4
130.06567	1.1
130.08653	2.7
130.10567	1.3
132.10205	26.2
133.10530	0.7
135.04402	1.2
135.06816	2.1
136.07574	72.8
137.06000	1.0
137.07932	2.4
138.09175	0.8
139.08713	0.7
141.06718	0.8
141.10225	1.0
143.11792	36.0
144.06558	2.1
145.06093	3.2
146.06001	0.7
147.04399	10.9
147.07654	0.8
147.11296	1.7
152.07097	1.4
153.06621	1.8
157.09720	0.7
158.06042	0.8
159.07791	0.9
159.09081	0.8
159.92599	0.7
161.05942	0.9
161.09213	1.3
162.02216	1.1
162.07564	0.9
163.03999	0.7
164.07048	1.4
165.05466	7.6
166.08659	1.1
169.06111	1.0
169.09738	1.0
169.13330	1.0
171.11285	28.6
172.07899	0.7
173.12851	6.6
174.09171	0.7
175.11920	0.9
177.05476	0.9
177.10216	4.2
181.06197	0.8
181.09772	0.7
182.08118	17.8
183.06601	1.0
183.14917	1.3
186.08916	0.8
186.12447	2.1
190.08865	0.7
197.08121	1.6
197.12839	3.9
201.12378	2.6
202.08620	14.8
202.10347	1.1
203.09074	1.0
203.13919	1.0
205.09686	3.2
207.11339	2.5
211.14507	1.0
213.12338	1.4
219.11340	1.7
219.13397	1.7
223.10800	1.1
228.10318	0.9
233.16527	0.8
235.10686	1.3
240.13504	1.4
242.15004	9.5
246.12384	17.7
246.14792	1.2
247.10791	19.3
248.11325	0.9
249.16055	1.2
253.11842	20.2
254.12257	0.8
255.11371	1.2
256.09488	1.3
257.04495	1.2
262.10764	0.9
264.13437	8.3
270.07758	1.3
273.03946	6.9
274.04218	0.8
274.11932	9.0
275.10104	3.4
280.16959	0.7
283.14163	0.7
284.11221	0.8
292.12958	4.8
292.16156	0.9
295.16547	2.3
299.05484	0.8
301.08572	1.0
301.11896	0.8
302.10333	2.5
303.05112	3.4
327.05203	1.8
339.20505	1.0
369.06036	0.8
373.01700	0.8
387.07257	1.2
387.96036	0.7
405.21347	19.1
405.26352	1.4
406.21390	0.9
423.23419	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	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.1
55.01866	7.1
55.05504	27.5
57.03432	9.5
57.07075	4.7
65.03922	3.8
67.05504	100.0
69.03429	47.5
69.06774	2.9
69.07076	27.6
70.81657	3.2
71.01318	3.3
71.04993	9.5
71.58308	4.6
73.02898	5.2
75.94489	3.0
79.05491	64.0
81.03418	66.5
81.06591	6.4
81.07052	87.8
83.04989	9.7
83.08619	11.7
85.02912	23.2
85.06519	3.6
91.05478	52.3
93.07041	82.7
95.04977	16.6
95.08601	67.3
97.02869	24.1
97.06538	6.6
97.10124	4.0
99.04460	14.5
99.08102	4.6
103.03959	3.9
103.05460	4.3
105.07024	47.2
107.04929	4.0
107.08587	46.8
109.02889	10.2
109.06513	7.5
109.10158	39.9
111.04452	7.8
111.08123	5.2
113.09639	6.2
117.06977	21.9
119.08591	41.6
121.06516	6.6
121.10138	41.6
123.08074	9.3
123.11701	11.7
127.03922	8.7
129.05507	4.3
129.07027	7.3
131.08568	29.5
133.06535	4.3
133.10129	25.2
135.08047	8.9
135.11699	28.4
137.13214	3.4
143.08589	5.8
145.10083	25.9
147.08070	4.7
147.11661	20.4
149.09682	5.0
149.13234	19.8
151.11168	3.8
155.08542	4.3
157.10118	10.9
159.08060	4.3
159.11707	23.1
161.13266	20.4
163.11188	4.7
163.14803	9.7
169.10158	4.5
171.08061	3.6
171.11700	11.4
173.09615	4.1
173.11818	6.1
173.13266	19.3
175.14748	6.2
177.12811	3.7
179.14195	3.5
183.11804	4.9
185.13274	7.4
187.11201	5.1
187.14771	11.7
193.12254	3.6
199.14848	4.8
225.16611	3.9
243.21065	6.4
249.14648	3.3
259.20596	12.1
261.22159	32.2
277.21658	10.6
279.23166	7.0
289.21609	4.9
301.21436	4.4
303.23230	11.7
327.22821	4.0
341.24789	5.7
351.23138	4.4
369.24054	20.9
387.25272	15.9
405.26395	20.3
423.27316	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	421.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94270	0.5
53.03927	2.1
55.01869	4.3
55.05510	28.9
57.03440	3.2
57.07079	8.1
59.04990	2.4
61.02921	1.2
67.05495	1.9
69.03429	11.6
69.07068	33.7
70.06570	1.5
70.07385	0.9
71.00369	1.8
71.01352	1.0
71.05002	0.7
71.08630	56.1
72.08973	0.8
73.02906	2.2
79.05497	1.3
81.03410	4.2
81.07072	3.8
83.08616	45.2
84.04474	1.1
84.08118	0.9
85.02904	17.6
85.06529	0.6
86.09693	1.6
87.00819	8.6
87.04460	1.6
91.05466	1.7
91.84930	0.6
93.07042	0.9
95.04975	1.1
95.08612	1.5
97.02890	11.8
97.10163	8.8
99.04439	2.0
99.08090	100.0
100.08448	1.1
105.01864	6.3
105.07023	1.5
107.04992	0.6
107.08578	1.5
109.02866	2.4
109.10114	0.9
110.78436	0.5
115.03924	15.2
117.07030	0.8
119.08636	1.2
120.08131	0.7
121.06530	0.9
125.02369	2.6
127.03892	5.8
129.12750	10.8
130.05046	0.7
131.08591	1.3
133.04979	2.1
137.05962	0.6
139.14780	3.5
143.03381	0.9
145.04977	1.0
145.10124	0.9
155.14320	2.8
157.15891	7.1
159.02792	0.8
159.11623	0.7
159.55139	0.6
161.04454	2.6
163.03947	0.6
165.27592	0.6
168.09766	0.6
173.15369	32.2
174.15672	0.8
179.10745	0.6
181.05025	2.9
184.07436	0.6
201.03937	9.3
217.29692	0.6
219.05002	6.0
247.04471	11.1
247.06976	0.8
248.04866	0.6
257.49084	0.5
329.21429	1.1
336.96805	0.7
403.24814	0.8
421.25067	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	423.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96283	0.5
55.08766	0.6
56.05010	0.8
67.05480	0.5
69.03430	0.7
70.06592	5.4
71.18069	1.2
72.08144	3.1
79.05485	0.6
84.04491	1.4
84.08145	4.2
85.02909	1.0
86.09708	7.9
87.05555	0.6
91.05482	1.0
97.02846	0.6
101.00867	0.9
102.05546	0.8
102.78168	0.5
103.05444	0.7
110.07153	1.1
119.01911	3.9
119.04946	0.7
120.08105	4.3
129.10205	1.7
136.07567	1.1
141.10220	0.8
143.01930	3.5
143.03000	0.9
161.02965	6.3
162.12881	0.5
166.08698	0.9
173.11565	0.8
173.12935	0.7
200.13962	1.7
203.05260	100.0
204.05650	1.4
207.11411	0.6
216.09906	0.6
243.09914	5.8
244.07875	1.6
244.09955	1.1
261.11053	0.9
277.12833	1.0
289.25745	0.6
297.55725	0.6
306.12656	0.8
321.11746	3.5
363.12952	1.1
423.16248	75.7
424.16635	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	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29427	1.3
53.03946	1.8
55.01861	4.5
55.05510	3.0
56.05028	4.9
57.07070	1.2
58.99575	3.7
60.04519	2.7
61.01156	9.7
67.05514	2.7
69.03418	2.7
69.07072	2.9
69.87226	8.2
70.06593	31.5
70.57729	1.2
72.04510	12.8
72.08150	40.4
73.02917	3.2
74.06075	3.5
74.91682	1.4
76.02224	3.2
78.03788	19.6
81.03415	1.5
83.04985	3.1
83.06093	6.0
84.04502	14.9
84.08144	18.7
85.02901	11.4
85.06553	3.0
86.06053	3.4
86.09704	34.2
86.99070	1.9
88.02208	6.5
88.03989	1.9
89.44330	1.3
91.05485	6.1
95.06142	1.5
97.06529	2.7
98.02428	2.9
98.06032	2.1
98.20821	2.2
99.04454	8.7
99.05563	5.1
100.02193	5.0
101.07111	1.7
102.03767	29.9
102.05545	3.5
103.02191	3.7
103.03932	15.8
103.05452	1.5
107.05029	2.0
109.02882	6.1
110.07165	5.2
112.08742	1.3
113.06049	2.1
113.07110	1.8
114.03766	4.1
114.05527	3.1
115.08681	2.1
116.07059	3.7
116.52338	1.3
119.04935	3.9
120.04816	6.2
120.08103	31.7
121.08441	1.2
124.07607	1.3
126.05517	22.9
127.03905	8.3
129.10245	12.6
130.05026	1.7
130.08653	3.3
131.06349	12.0
132.04803	19.3
132.10228	7.5
135.06764	1.4
136.07574	32.6
141.06555	3.2
142.08640	5.7
143.11844	1.3
146.02704	6.1
147.04416	8.1
147.05875	1.3
149.07439	56.7
150.05472	1.5
152.01657	1.7
152.07043	3.8
154.08650	4.2
158.02730	2.0
159.05943	2.3
163.03961	1.5
164.07063	2.3
169.90187	1.5
171.11240	2.6
173.12778	1.7
174.61520	1.3
175.05389	3.3
176.10690	1.8
177.10217	4.0
180.06555	15.6
181.09744	2.9
182.08121	2.2
184.09700	2.4
198.07574	3.2
201.12358	3.3
202.08617	1.8
205.09773	4.8
207.11443	1.8
216.08615	2.5
218.08167	2.7
220.61725	1.5
226.15329	1.5
231.11603	6.5
241.09781	1.5
242.10211	2.1
243.11372	2.5
243.65604	1.5
246.12202	2.2
247.10744	2.5
249.16199	1.4
257.09506	4.5
259.10785	3.2
261.06207	1.6
261.12558	3.9
275.10535	3.3
278.09955	1.6
285.12192	1.5
292.12900	2.1
293.11649	100.0
294.11880	2.8
301.11688	1.7
302.12320	1.7
310.59012	1.5
318.14160	1.7
326.75177	1.3
405.12183	2.6
405.16931	40.6
405.21173	1.8
406.17136	1.4
423.12503	8.3
424.13257	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	420.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01865	7.0
55.05522	2.3
57.03424	5.2
59.06477	1.6
61.02919	6.4
64.43979	1.4
67.05496	6.9
68.99805	3.3
69.03429	40.4
69.07064	3.9
69.42361	14.3
70.06576	5.0
71.04962	2.1
72.08131	2.2
73.02912	6.4
79.05479	6.0
81.03414	24.3
81.07055	64.6
84.04505	1.8
84.08150	3.5
85.02905	100.0
86.09685	4.2
87.00829	37.6
91.03965	2.2
91.05450	1.5
93.07034	3.5
95.08614	13.3
97.02887	26.7
99.04450	10.8
101.02423	1.6
105.01866	76.0
105.07045	2.2
108.04459	2.0
109.02877	26.0
109.10145	2.0
110.07182	1.8
112.30032	1.4
115.03957	1.7
120.08156	1.7
123.03004	1.5
127.03913	68.7
129.01843	2.9
129.10234	3.0
137.13252	19.0
143.00192	1.6
145.04961	30.7
147.02850	1.6
159.02914	13.0
187.33795	1.7
189.03987	2.9
213.03903	3.0
231.05000	24.8
248.07622	1.8
249.05975	9.7
266.23416	1.5
370.41394	1.4
402.21915	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	420.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	7.5
58.06585	2.2
60.55495	1.0
67.05507	1.8
70.06593	17.9
71.08613	2.1
71.51421	1.2
79.05481	1.2
86.09674	1.2
88.07625	22.3
91.05453	6.8
96.60347	1.0
102.09181	16.4
102.91607	1.0
111.29312	1.2
119.04942	3.4
119.08527	1.2
147.04401	78.6
147.05392	3.0
148.04752	1.5
148.99387	1.1
168.66522	1.1
191.07022	95.2
192.07372	2.7
256.26340	51.2
257.26627	2.3
265.54974	1.3
301.41473	1.1
379.33286	1.1
380.34259	1.1
420.31088	100.0
421.31500	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27603	1.2
55.01872	7.5
57.03199	1.4
57.03431	16.0
59.04967	1.2
60.04509	2.1
61.02668	1.2
61.02927	13.4
69.03426	24.3
69.26756	1.3
69.86066	7.6
70.06567	4.9
71.01348	3.6
71.05003	1.5
72.08144	2.7
73.02914	75.9
81.03403	4.1
82.05715	1.2
84.08141	2.8
84.95067	1.2
85.02901	59.4
86.09682	5.4
87.04443	4.4
91.03952	2.7
91.05476	100.0
92.05801	2.4
97.02885	60.7
99.04429	2.1
103.03912	4.2
105.07028	4.9
109.02866	5.9
110.07127	1.9
112.51948	1.5
113.28439	1.3
115.03924	21.2
120.08124	1.3
127.03918	18.6
129.06985	2.4
131.08545	2.4
133.04959	28.1
133.06473	5.1
145.04950	26.2
145.06430	3.4
155.07086	2.3
157.06464	3.0
159.07962	1.8
161.04457	1.9
163.06003	12.1
171.08046	1.8
175.07463	2.3
187.07494	2.0
205.08632	2.4
217.08655	2.9
223.05966	3.7
235.09599	1.8
241.07040	5.7
253.10771	2.4
259.08096	7.6
277.09198	2.3
295.10220	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.2
56.05044	4.4
60.04524	7.5
60.05627	2.5
60.24689	1.9
62.47345	1.7
63.10149	2.0
68.05040	2.9
69.96164	6.3
70.01419	1.9
70.06583	14.0
70.08053	4.7
70.08459	4.9
71.94093	17.1
72.08157	23.6
73.08467	2.4
74.06070	8.0
78.63968	1.8
82.06574	2.6
83.06085	2.4
84.04501	9.1
84.08134	16.3
85.02899	2.4
85.12263	1.9
86.06057	9.4
86.09713	11.4
87.05565	3.5
89.95123	11.5
91.05486	18.3
102.05546	3.8
107.04943	6.3
110.07156	8.6
119.04970	10.9
121.06506	36.2
123.04441	10.9
127.04987	1.8
127.96565	2.3
129.10237	8.5
129.98222	14.4
130.04993	3.2
131.96104	5.1
132.10226	2.1
134.06062	3.0
135.04372	2.8
136.06329	2.0
136.07553	4.9
137.05977	100.0
138.06316	9.6
138.09145	10.2
145.03531	2.8
145.97769	1.9
147.99258	18.0
148.07617	2.0
149.97203	8.7
152.05974	3.2
152.07031	16.5
153.05424	4.5
154.08640	36.4
155.09003	3.1
156.07715	2.9
157.97723	13.0
159.95566	3.2
161.02824	2.1
164.07112	4.9
164.93546	2.4
167.01570	1.9
171.00888	2.3
173.97212	3.7
175.98782	21.4
177.96721	7.7
186.02049	2.3
188.02440	3.5
189.08701	6.9
198.00856	7.7
201.96623	5.3
202.06226	4.3
207.12186	2.5
214.00320	2.2
216.02017	5.2
217.99937	2.3
219.97772	2.3
223.98970	2.3
226.00273	3.2
241.99744	4.5
246.05251	5.1
260.00934	5.3
263.08871	1.9
263.96786	3.1
268.94620	40.3
269.99326	2.9
285.94254	3.2
313.98141	2.2
321.12796	3.1
402.00467	2.0
413.87903	2.2
420.20224	4.7
421.18619	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	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01877	4.4
55.05508	4.2
56.05030	6.3
57.03424	4.5
60.04510	5.1
61.02924	5.9
69.03438	13.4
69.07072	4.5
70.06598	39.4
71.05000	3.5
71.06915	2.0
71.51350	3.3
72.08149	22.1
73.02917	9.9
74.06069	6.4
76.02245	2.3
79.05489	2.4
80.05018	3.6
81.03424	8.4
81.07049	2.0
84.04512	12.6
84.08144	30.0
84.46560	1.8
85.02904	35.6
86.09708	39.4
86.90097	1.9
87.00826	14.1
87.10018	2.6
88.04003	2.5
91.05467	20.6
93.07034	2.6
94.06527	2.1
95.04989	12.2
97.02882	17.7
98.06042	2.5
101.07175	2.7
102.05586	2.3
103.03989	3.2
103.05460	2.5
104.05318	3.6
105.01866	8.0
105.07006	1.9
107.04932	3.3
108.04495	2.8
109.02869	12.1
110.07163	13.9
112.08728	3.7
115.03951	6.7
116.07019	2.0
119.04975	2.5
120.08117	9.4
123.04433	31.8
124.05186	7.1
125.06000	2.5
126.31939	2.2
127.03923	24.0
129.01863	2.4
129.10228	12.2
130.08620	2.4
136.07578	5.5
137.05981	8.5
145.04962	13.9
147.04413	5.7
148.04790	4.0
151.07523	2.8
152.07094	4.2
155.07031	100.0
159.02901	4.6
173.12814	4.3
177.05469	3.4
179.04767	2.2
179.07048	13.8
187.07411	2.8
187.63748	2.0
189.03867	5.8
192.07755	2.1
197.08032	3.6
203.62270	1.9
221.08109	7.7
231.05042	6.7
244.09573	8.2
245.07982	4.6
263.09012	11.3
273.12625	5.5
333.45602	2.1
346.20157	3.1
376.16782	2.8
379.16150	2.5
420.24402	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	420.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.0
54.07872	1.1
54.79789	1.1
55.01870	13.2
55.05496	4.2
56.05030	3.7
57.03432	7.2
57.07061	1.8
60.04503	3.4
61.01144	2.5
61.02917	6.7
66.10599	1.2
67.05481	1.8
68.30130	1.2
68.99781	5.3
69.03426	38.9
69.07057	2.9
70.06591	24.2
71.04980	6.2
71.51632	2.1
72.08141	8.3
73.02912	9.9
74.06065	2.2
77.47825	1.1
80.05014	1.5
81.03414	32.4
81.07020	2.3
83.04980	1.8
84.04504	7.4
84.08137	11.6
85.02901	100.0
86.09699	42.8
87.00828	33.3
87.04452	1.2
91.03958	2.0
91.05460	4.6
93.07051	1.5
95.04926	2.0
95.08582	1.6
96.04487	1.4
97.02892	32.9
98.06069	2.1
99.04454	19.5
102.05537	3.2
102.48587	1.2
103.03960	2.3
103.05489	2.2
104.05310	3.1
105.01203	2.3
105.01864	30.5
107.04910	1.5
108.04475	6.9
109.02866	33.6
109.74675	1.1
110.07173	7.1
112.05115	3.0
112.08691	1.5
115.08686	1.9
117.01824	4.2
119.08563	1.4
120.08105	7.9
123.04425	13.4
123.08053	3.1
125.05849	1.3
126.05508	4.6
127.03907	75.3
127.08587	1.4
128.04263	2.3
128.38321	1.2
129.01825	4.0
129.10225	6.5
130.05014	1.3
130.06520	1.6
136.07585	3.5
137.05954	8.1
144.17331	1.2
145.04961	41.5
147.02847	2.6
148.06079	2.8
149.05984	1.3
153.05463	3.0
155.07051	14.2
157.09756	1.5
159.02870	24.7
161.06021	1.6
161.09578	1.8
165.05502	7.9
167.07014	12.5
175.07510	1.7
177.05423	1.8
179.06996	1.3
179.10655	3.2
181.04944	2.2
183.14967	1.3
189.03885	1.9
189.05515	2.2
191.11723	1.2
197.08057	13.8
203.06995	2.3
213.03906	1.9
221.08083	8.1
221.11736	2.4
222.12015	1.8
230.06627	1.9
231.04875	13.3
235.09630	1.9
245.08054	2.3
248.07706	4.8
263.09137	27.5
273.12793	3.0
288.05997	2.0
367.10211	2.3
402.16541	1.7
420.24033	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	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01869	0.6
55.05500	0.9
57.03437	0.4
57.07072	2.0
61.02911	0.4
65.03950	0.3
67.05502	4.0
68.99780	0.2
69.03422	2.4
69.07064	4.0
69.49713	2.0
71.04977	0.5
73.02893	0.5
79.05487	7.8
81.03413	2.0
81.07050	100.0
82.07376	1.1
85.02895	6.5
85.09540	0.2
85.10152	0.2
87.00825	3.0
93.07050	0.8
95.08601	19.0
96.08923	0.5
97.02886	5.9
98.21529	0.4
99.04455	1.6
105.01861	6.1
108.04457	0.4
109.02876	2.2
109.10143	1.0
115.03860	0.2
127.03911	7.5
129.01839	0.2
137.13249	21.1
138.13593	0.3
145.04948	6.4
147.02986	0.2
154.15883	0.4
159.02882	1.3
195.72632	0.2
213.03906	0.3
231.04947	3.0
248.07846	0.2
249.06055	1.3
284.09763	0.5
286.21109	0.2
397.98502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.7
56.05035	14.2
56.96555	2.0
58.06585	5.7
58.12767	1.6
60.04234	2.0
60.04521	39.7
60.05628	2.7
61.01131	1.9
61.93925	1.5
68.04985	2.4
69.03438	2.5
69.07059	2.2
70.06213	2.8
70.06591	46.9
71.04965	2.5
71.51492	2.4
72.07764	2.5
72.08152	44.8
73.08473	1.8
74.06077	23.4
78.84310	1.7
79.05440	1.6
81.03402	2.5
83.06087	2.3
84.04504	74.8
84.08135	23.4
85.02893	7.6
86.06066	6.7
86.09704	100.0
87.05585	17.8
87.10038	2.8
88.03986	3.3
91.05458	1.6
94.06601	1.9
94.71507	1.5
96.04478	2.0
97.02876	2.1
100.40867	1.9
101.07127	7.1
102.05543	65.9
104.05283	2.5
104.07086	1.9
106.05009	2.2
107.04998	2.6
110.07145	5.0
112.07577	2.2
112.08685	6.7
113.07153	3.7
115.08652	2.9
116.07048	4.8
120.08099	5.3
126.05524	3.4
128.85918	1.7
129.06604	5.6
129.10262	11.7
130.04988	5.6
131.08159	96.2
132.10201	29.7
135.04427	2.2
136.07565	2.7
139.03865	2.4
140.07079	11.1
141.06580	9.4
143.11745	1.9
149.02232	2.3
150.05396	1.8
152.07016	2.5
153.10243	2.5
155.08136	3.7
157.10774	2.3
159.07651	76.8
159.11263	1.9
162.07666	3.1
163.03839	2.7
168.06577	3.1
169.03194	2.9
173.09213	7.7
173.12874	3.9
175.07091	1.9
175.11905	2.9
185.09186	3.0
187.14418	2.1
189.08684	4.7
189.12332	4.3
191.10193	1.7
197.12837	25.7
199.18048	6.7
201.08673	6.2
201.12341	6.2
203.10246	14.1
203.13864	2.5
205.11795	2.0
213.08777	2.0
215.13940	3.1
217.08179	7.7
219.13509	2.8
220.33165	1.5
225.12340	2.6
227.17538	3.1
231.09773	11.4
233.14935	1.7
237.80093	1.7
242.11569	1.7
243.13387	72.6
260.12500	1.7
261.14417	11.1
267.65079	1.7
269.11856	1.7
270.10825	4.5
288.11917	25.5
288.15073	2.4
322.28427	1.7
401.20218	2.5
419.12949	2.2
419.19464	2.0
419.24374	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	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.7
53.03937	8.1
53.49978	1.5
55.01869	12.6
55.05501	7.9
57.03437	11.8
57.07061	5.0
61.02914	1.7
65.03941	3.2
66.77099	1.5
67.05504	17.9
69.03428	64.1
69.07058	12.3
69.95739	6.1
70.06600	10.8
71.04985	12.9
71.08631	37.8
79.05479	8.8
81.03412	43.0
81.07050	19.6
83.08610	8.1
84.04492	5.9
84.08144	6.6
85.02910	14.3
85.06544	10.6
86.09698	7.9
87.00838	6.4
91.05486	11.9
93.07045	7.9
94.04186	1.7
95.04977	6.2
95.08618	10.2
97.02885	14.9
97.06525	4.9
97.10159	3.4
99.04453	7.3
99.08096	37.4
103.05511	4.4
105.07028	9.7
106.04276	1.8
107.04959	6.0
107.08588	9.0
109.02876	100.0
109.06527	3.4
109.10150	45.0
110.03172	2.4
110.07137	1.8
111.04439	4.4
115.05473	3.9
117.06986	3.1
119.04948	2.0
119.08576	7.5
120.08060	2.6
121.06524	3.7
121.10149	4.1
122.06053	1.8
123.04409	2.1
123.08041	2.2
123.11691	3.2
125.02351	30.3
126.05394	1.8
127.03911	58.7
127.11190	45.6
128.06285	2.0
129.07004	2.1
129.12767	5.7
130.05008	4.2
131.04915	4.7
131.08551	4.6
133.06522	9.8
133.10101	3.2
135.04393	2.3
135.11626	2.0
136.17030	1.6
137.05962	3.7
145.04973	2.7
145.10187	2.7
145.12245	16.8
147.11775	2.5
149.02364	2.8
149.05956	4.1
159.08023	2.3
159.11644	2.6
161.06003	4.7
163.07588	2.9
167.03403	8.7
167.07034	24.6
168.07347	8.6
169.07600	3.1
171.13800	5.0
173.05919	2.3
173.13281	1.9
175.14787	2.0
177.05484	13.8
181.04970	26.7
181.12187	2.7
182.05322	2.4
187.07388	2.1
191.06978	9.8
193.08588	3.1
196.26729	1.8
205.08556	3.4
207.13773	2.3
209.08096	18.6
212.96611	1.8
213.03978	7.2
219.10152	2.6
231.05028	7.2
235.09686	2.1
235.13246	10.1
249.11000	3.5
253.14325	10.6
270.58591	2.1
281.08386	1.8
288.34891	2.0
299.09241	7.0
329.02502	1.9
339.14642	2.8
344.27338	1.8
357.15701	2.9
369.13318	2.1
389.15396	1.9
401.15607	3.6
419.16052	7.8
419.24438	3.9
419.31699	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	419.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
54.37104	1.1
55.01864	3.3
55.86853	1.1
56.05035	1.3
57.03434	8.1
59.75077	0.9
65.03925	2.3
66.25509	1.1
68.99783	3.1
69.03427	45.6
69.49870	8.7
70.06580	5.5
71.04989	18.3
75.97675	1.2
79.05490	2.9
79.44479	1.1
81.03406	4.3
83.04958	1.5
84.08143	1.5
85.02903	35.5
85.63642	1.2
86.09690	4.0
91.05481	2.7
93.07018	2.1
95.04960	4.5
99.04433	3.5
103.69499	1.3
104.05317	4.7
105.06971	1.9
107.04958	9.2
107.08580	1.3
109.02863	4.4
109.06519	1.7
110.07143	1.4
111.00793	2.8
111.04430	6.0
115.05430	1.4
115.08692	1.8
119.04934	7.5
120.08094	2.1
121.02843	3.4
121.06497	3.4
123.04400	3.6
125.02349	3.8
125.05976	3.0
127.03925	2.6
129.05444	4.8
129.10182	1.8
131.04884	2.0
135.03416	2.2
135.04402	27.6
135.57295	1.3
137.05904	1.2
141.01744	1.3
145.06425	1.4
147.04410	26.6
149.02312	2.2
149.05989	3.1
151.03954	1.3
153.01839	20.7
153.05379	2.3
161.05965	1.8
163.03891	3.8
165.01826	27.1
167.03395	2.4
167.07043	4.9
171.02879	4.3
171.04285	2.2
173.05984	1.8
175.03911	3.4
177.01886	9.0
177.05466	6.4
179.03448	3.3
181.04944	3.0
183.02881	16.3
189.05461	2.5
191.03377	17.2
191.07076	1.7
193.04991	2.0
195.02885	100.0
196.03250	3.2
203.03394	15.7
207.02843	3.9
209.04483	1.7
213.03920	2.4
217.04944	9.0
219.02881	32.4
220.03131	1.5
221.04558	6.6
235.05984	2.0
237.03828	4.2
245.04457	50.4
246.04831	3.4
263.05505	77.6
264.05853	2.8
273.07556	21.3
281.06534	5.6
285.07623	9.6
297.07715	7.9
315.08600	20.2
316.08740	1.4
323.09131	3.6
330.10901	2.2
339.08621	24.0
341.09808	1.4
363.07959	1.5
365.10196	19.2
366.10440	1.9
383.11221	32.6
401.12152	4.1
419.13193	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	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54480	3.6
55.01854	6.9
55.05495	6.2
56.05022	13.7
57.03423	4.6
57.07069	8.5
57.37148	3.2
60.04510	5.5
61.01129	3.8
67.05496	7.7
69.07052	13.5
70.06209	6.1
70.06588	100.0
70.67641	10.3
71.05008	5.1
71.06914	5.5
72.08158	36.4
74.06065	8.7
79.05486	10.7
81.03442	7.3
81.07052	12.7
83.04974	3.8
83.06099	7.3
84.04525	17.8
84.08132	39.1
85.02892	16.6
86.09703	85.3
87.10004	6.6
88.03979	10.6
91.05478	16.5
93.04516	3.6
93.07021	3.9
94.80065	3.3
97.02872	8.7
99.08081	14.4
102.05548	7.8
103.05457	5.9
104.05308	5.7
105.06992	6.0
107.04948	10.4
109.02905	3.9
110.06030	14.5
110.07158	26.6
111.44980	3.2
116.07040	6.7
119.04973	5.2
120.08105	42.9
123.04422	5.2
125.05996	4.4
127.03926	4.6
129.10213	26.0
130.04977	7.5
132.10257	5.5
136.07570	11.7
138.05539	17.0
138.06464	3.2
142.81053	3.4
145.06393	3.1
156.07660	20.8
159.04376	3.3
159.07983	7.0
159.09193	7.3
163.03932	3.5
167.07031	44.6
175.07605	5.2
177.05367	4.7
181.04941	11.8
187.07420	4.9
188.07101	11.7
201.12321	4.3
203.06866	3.9
205.09886	5.7
207.06587	5.4
208.05225	7.5
211.07477	4.6
215.13847	9.9
217.08331	10.4
243.46484	3.3
247.09653	7.5
254.05557	4.4
263.13937	5.8
264.08618	6.8
267.06622	5.1
269.08032	11.5
291.10110	4.5
293.08380	4.4
315.08600	44.8
323.12744	4.1
330.10950	52.0
331.11603	6.5
343.11636	7.6
351.12210	5.7
366.21640	4.7
383.14929	18.3
401.11929	6.7
419.13629	4.6
419.23337	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	419.0972
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.02476	0.3
55.01854	0.3
56.05021	0.4
57.03426	0.9
61.02915	1.2
68.69962	0.3
68.99795	0.7
69.03436	2.5
69.69353	1.5
69.69774	0.4
70.06591	0.6
71.04974	1.0
73.02917	11.8
81.03448	0.4
85.02913	2.0
86.09683	1.1
89.74917	0.3
91.05459	0.4
98.20780	0.3
104.05350	1.7
105.03400	0.4
107.04945	1.1
109.02845	0.3
111.00784	1.0
111.04388	0.4
115.03918	0.4
119.04939	0.6
120.08100	0.3
121.02872	2.9
123.04533	0.3
129.05478	0.3
133.02829	0.5
135.04417	1.4
137.02321	1.0
146.11748	0.7
147.04466	1.5
147.94237	0.3
149.02370	0.3
151.03981	0.3
153.01823	4.5
157.06487	0.5
160.73846	0.3
161.05888	0.4
163.03860	0.3
165.01804	3.1
167.07066	0.3
171.02773	0.4
177.01761	0.4
177.05495	0.4
181.04886	0.4
183.02901	1.6
185.05991	0.4
191.03407	0.9
195.02902	3.8
203.03419	0.5
211.92944	0.3
213.05447	1.1
219.02963	1.1
221.04364	0.4
231.06451	0.8
234.53226	0.3
241.04994	0.9
245.04449	2.7
257.04453	0.3
258.05206	0.7
259.06073	0.6
263.05524	2.9
273.07639	0.9
287.05499	100.0
288.05859	3.5
297.07559	0.7
315.08685	0.7
339.08646	1.0
365.10297	0.8
383.11234	1.0
401.12311	0.7
419.13144	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	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.0
67.05509	4.0
69.03431	7.0
69.07096	3.2
70.06594	12.6
70.08038	3.7
70.08434	2.6
72.08150	7.1
75.37695	1.5
79.05509	3.2
81.03432	2.0
81.07052	5.8
83.04989	4.9
84.04510	2.0
84.08143	5.9
85.02906	13.5
86.09706	18.4
87.10016	3.4
91.05475	9.5
91.54598	1.3
93.07038	19.8
95.04956	2.9
95.08614	8.3
97.02892	3.0
103.05460	1.9
105.07031	5.5
107.04964	3.1
107.08586	17.7
108.05709	3.0
109.06557	2.7
110.07178	1.6
111.04452	3.2
119.04945	4.0
119.08592	2.6
120.08156	3.3
121.06499	15.3
123.08056	44.8
127.03881	1.8
129.10226	3.5
133.10126	7.1
135.08058	2.0
135.11688	10.0
137.05975	6.5
143.11821	2.0
144.12051	2.1
145.04970	3.5
147.04436	2.7
147.11693	6.5
149.05965	7.9
151.07532	17.0
151.92416	1.6
157.10138	4.8
163.07529	1.7
165.05452	10.5
167.07045	39.2
175.11177	19.5
175.12593	2.0
177.09123	2.4
177.12729	2.8
179.10641	7.2
180.77574	1.6
187.14412	1.9
193.12303	4.2
203.10680	9.6
219.77982	1.4
221.11723	100.0
222.12068	3.1
274.11990	1.7
281.71912	1.5
299.05157	1.6
306.44031	1.3
409.23062	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	418.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01871	1.4
55.05509	2.2
56.96560	1.1
57.07094	0.8
58.29650	0.4
65.03959	0.9
67.05498	1.5
69.03428	2.7
69.07057	2.2
69.99240	2.6
70.06575	1.5
70.11311	0.5
71.04982	1.1
71.08833	0.6
72.08144	0.9
73.02891	1.0
77.03902	0.6
78.04778	0.6
79.05488	17.9
81.03416	3.4
81.07045	2.1
81.29459	0.6
85.02895	10.4
86.09702	1.1
87.00830	3.5
91.05473	11.7
93.07038	82.9
94.07373	1.8
95.04958	4.7
95.08600	1.0
97.02874	4.7
98.20867	0.9
98.97585	1.7
99.04449	1.3
105.01859	5.5
105.04520	1.0
105.07043	2.6
107.04992	0.8
107.08587	41.8
108.08887	1.0
109.02856	4.0
109.06525	0.9
116.98635	1.0
119.08601	0.6
123.04420	1.1
124.05251	0.8
127.03922	7.4
134.99586	0.6
135.11684	100.0
136.12007	3.7
141.22650	0.5
145.04915	4.6
152.14349	2.3
156.17131	0.6
158.99593	0.6
159.02907	2.6
167.07031	6.4
168.07372	4.3
170.15356	0.5
173.06091	0.6
173.13063	0.5
174.06314	1.1
177.00713	0.5
181.04932	2.4
182.05261	1.2
223.13359	0.6
231.05016	2.2
243.13910	0.8
249.05948	0.7
261.06668	0.6
261.14938	1.0
332.14890	0.8
349.15323	0.6
350.15695	4.0
383.17212	0.6
388.14505	1.6
392.16830	0.7
418.15967	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	417.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.05512	12.1
56.75479	1.2
57.03191	1.2
57.03434	9.6
57.07073	6.8
67.05502	59.3
69.07063	13.9
70.98975	1.0
71.08616	1.7
71.21884	1.2
74.59202	1.2
79.05484	17.5
81.03406	1.5
81.07051	69.5
83.04967	1.5
83.08619	9.5
85.06521	1.7
91.05461	10.3
93.07034	16.9
95.04910	2.9
95.07988	2.6
95.08601	59.8
97.06515	5.4
97.10150	5.3
98.98460	96.2
99.08058	2.5
100.14471	1.1
100.55141	1.5
103.64867	1.1
105.07023	6.7
105.13052	1.4
107.08578	14.0
109.10155	30.9
111.08066	3.9
111.11689	1.7
113.09624	1.5
114.10808	1.2
116.99477	1.8
119.08572	9.7
121.10144	11.2
123.08122	1.6
123.11687	13.9
125.09560	1.5
131.08572	1.2
133.10104	10.9
133.13029	1.4
135.11679	8.4
137.09613	2.0
137.13254	8.2
140.01109	1.8
147.11681	9.0
149.13261	7.0
151.11163	1.4
151.14810	8.4
155.01035	100.0
161.13243	6.1
161.52040	1.4
163.14839	6.6
165.16362	5.6
175.14818	5.4
177.16414	1.5
179.18024	1.7
180.07899	1.3
189.16385	3.6
203.52039	1.3
229.37061	1.3
245.22629	24.0
263.23697	54.4
264.23984	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	417.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54921	0.5
53.03949	0.5
55.05513	7.9
56.05036	0.6
57.05814	0.9
58.01698	0.4
60.04514	0.7
62.71671	0.4
67.85853	0.5
69.03437	0.5
70.06593	5.8
71.50735	0.6
71.51158	0.5
72.08153	100.0
73.08501	1.1
74.06059	0.6
75.08609	0.4
83.06109	0.5
84.04501	4.4
84.08134	3.4
86.09712	4.7
87.10036	0.5
88.37802	0.5
101.07152	1.1
102.05550	2.3
110.07162	0.8
112.08722	0.9
116.07095	0.8
122.09666	0.6
129.10243	1.6
130.04980	2.9
136.07654	0.5
137.05930	0.7
140.34853	0.5
143.11792	19.1
147.39819	0.5
148.06036	14.3
168.10265	2.1
169.10579	2.4
171.11281	25.0
185.16570	0.6
188.50766	0.5
197.13054	0.5
201.12328	0.8
205.08170	0.5
225.15887	3.9
238.27515	0.5
244.50703	0.6
247.12885	28.3
248.13261	0.6
256.55014	0.5
270.18152	6.5
318.16699	1.8
377.12253	0.5
417.14236	0.5
417.24197	4.8
434.58191	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	417.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87963	0.4
52.42522	0.4
53.03933	0.7
54.44994	0.4
55.01865	0.5
55.05507	2.1
56.05029	2.3
57.05819	0.6
60.04522	0.8
67.05510	0.7
69.07066	4.8
69.95684	2.3
70.06590	13.4
71.06906	0.5
72.08152	15.6
73.08481	0.7
74.02448	0.6
74.06068	2.2
75.05603	5.7
78.04701	0.8
79.05481	0.8
81.03427	0.8
81.07067	0.4
83.05003	0.4
83.06084	0.8
84.04500	2.9
84.08143	5.6
85.02898	1.0
86.09701	100.0
87.05594	0.5
87.10040	1.1
88.03992	4.8
89.03934	0.6
91.05486	1.9
93.07049	0.7
95.04967	0.8
95.06014	0.4
97.02914	0.9
101.07137	1.2
102.05502	1.1
103.05481	0.6
105.07053	0.5
106.04240	0.6
107.04967	1.2
109.02863	0.5
109.06519	0.5
110.02419	1.6
110.07178	2.6
112.08699	1.0
113.10725	0.9
115.05448	1.2
115.08680	0.6
116.03453	0.6
116.07130	0.9
117.03371	1.7
117.07040	2.3
118.03721	0.6
119.04937	0.5
120.06595	0.5
120.08102	5.2
121.08479	0.8
123.04456	2.3
123.08099	0.6
124.05223	0.7
127.04030	0.6
127.05059	2.3
129.10216	3.0
132.08107	0.7
132.10204	6.2
134.04501	1.1
136.07571	1.6
137.06023	1.2
138.09154	0.5
141.10240	1.8
143.11795	31.7
144.12117	0.7
145.02800	4.0
145.06557	2.9
146.03188	1.9
147.04465	0.6
149.06006	0.5
150.09070	0.5
155.08237	0.5
155.11722	0.7
156.10136	0.7
157.13387	0.6
159.11296	0.9
162.03140	0.9
166.08623	2.4
167.07031	28.3
168.07390	1.1
171.11298	11.8
173.05954	4.5
175.07507	0.9
177.05466	4.3
178.05836	3.6
181.04962	5.1
181.09727	0.5
183.11278	1.4
183.42429	0.4
184.09737	0.5
187.10825	1.6
187.14375	2.7
201.12355	6.7
203.13976	0.8
205.08527	1.0
207.06442	0.4
212.09210	1.8
215.13908	1.0
217.15353	0.6
219.06494	0.6
220.06859	0.4
222.22292	0.4
227.17529	0.5
229.11818	3.0
231.16940	0.5
233.08069	2.4
233.15039	0.6
235.09758	1.7
239.17847	0.4
245.18620	2.2
247.12877	17.8
251.09073	2.0
252.09480	2.0
261.65048	0.5
284.19638	0.5
286.13928	5.5
287.15103	1.7
292.78802	0.5
331.17371	0.6
355.16382	0.4
355.61478	0.4
373.18323	1.0
387.14496	3.7
388.14621	0.5
399.22470	1.1
417.17108	14.0
418.17029	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	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03933	0.8
55.01855	1.0
55.05516	0.7
55.43065	0.5
65.03945	2.9
67.05482	1.8
69.03412	1.6
69.07063	0.6
69.36465	4.1
70.06583	1.1
72.08131	0.6
78.04710	3.2
79.05476	4.2
81.03405	1.4
81.07049	1.3
82.04153	1.0
84.08123	1.1
85.02911	3.0
86.09682	1.3
86.96256	0.5
91.05472	2.7
93.03394	0.6
95.04951	1.2
95.08627	1.0
97.02863	1.3
97.06521	0.6
103.05471	3.8
105.03368	0.8
105.07026	0.7
106.04144	1.6
107.04959	5.8
108.02058	0.6
109.02873	1.2
110.03642	1.3
111.04443	1.1
115.05447	3.4
117.07031	4.5
118.04147	0.9
119.04974	0.6
121.02879	0.6
121.06528	0.7
122.03659	0.5
123.04419	8.0
124.05251	2.9
125.05959	1.0
127.03923	1.1
127.05446	0.9
128.06209	0.5
131.04929	2.5
133.06505	0.7
134.03601	0.6
135.04440	0.6
135.08046	0.6
137.05959	1.6
138.03073	0.8
142.02588	0.8
143.04921	0.6
144.05663	1.1
145.05180	0.8
145.06476	8.8
145.07635	0.6
147.04411	0.6
147.07932	0.6
148.05212	1.5
151.03905	2.0
152.04688	2.5
153.05431	1.0
155.06030	2.8
161.05968	1.0
163.07536	2.6
167.07031	100.0
168.07364	2.6
171.06573	1.8
172.05135	0.5
173.05972	14.3
175.07568	1.1
177.05492	1.4
178.06035	0.6
181.04947	41.8
182.05313	1.4
190.06160	0.6
191.07028	9.2
191.08615	0.9
193.08754	0.6
195.06537	1.2
201.05461	1.1
202.06015	0.5
205.08580	3.3
207.06482	0.6
209.08092	0.6
215.42749	0.4
217.08688	0.7
233.08063	8.0
235.09662	3.7
264.07828	0.6
283.89816	0.5
325.10712	0.5
327.24554	0.5
357.13693	0.6
381.13397	1.0
385.12625	0.8
387.14313	12.4
388.14636	0.7
399.14597	1.5
414.49771	0.5
417.15436	32.2
418.15756	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	417.1754
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
53.03937	1.1
55.05500	4.0
55.80837	1.0
56.05029	4.1
57.03422	1.1
57.05800	1.1
58.06581	1.2
59.06141	1.3
60.04515	3.6
61.01137	1.1
67.05502	3.3
69.03442	1.7
69.07055	4.9
69.78932	1.0
70.02964	1.4
70.06591	33.9
70.75578	3.1
70.82896	0.9
71.04980	1.8
71.06914	1.4
72.08152	41.2
74.06080	6.4
79.05477	6.2
80.09327	0.9
81.03419	2.7
81.07058	2.2
83.04967	1.7
83.06092	1.4
84.04514	8.8
84.08140	19.9
85.02901	7.1
85.08459	1.2
86.09702	100.0
87.00836	2.3
87.10023	2.6
88.03988	5.1
91.05470	5.1
93.07011	1.4
95.04977	3.5
95.06097	1.1
95.08566	1.0
97.02874	3.1
99.04442	1.9
101.07132	1.8
102.05546	3.5
103.05477	4.2
104.05267	1.6
105.01818	1.8
105.07024	1.6
107.04944	11.1
107.08578	1.9
109.02868	3.0
110.06011	1.1
110.07146	6.5
110.09655	1.0
112.08746	1.5
112.31520	1.0
115.08698	1.5
116.07079	1.8
117.07019	2.1
119.04939	1.6
119.08576	3.0
120.08087	18.6
121.08445	2.6
123.04419	2.5
127.03916	2.9
127.08682	2.9
129.01851	1.0
129.10239	14.5
130.04990	2.1
131.04906	1.0
131.08545	1.3
132.10225	4.8
135.04402	23.9
136.07574	3.9
137.05995	2.4
138.09171	1.8
141.10262	2.9
142.12250	1.7
143.11813	3.0
145.04961	1.8
145.06456	1.0
145.09969	4.0
148.06071	2.5
149.09573	1.8
149.96085	1.1
150.05528	1.2
151.03897	2.9
152.07086	1.8
153.05437	5.1
155.08093	1.1
155.11815	1.2
157.09732	1.4
157.13373	2.4
161.06001	1.5
162.29367	1.0
166.08655	1.2
167.07005	7.2
169.04973	7.8
170.57755	1.1
171.11263	2.5
171.14923	2.3
173.09505	4.0
173.12891	2.5
177.05496	2.4
181.04970	4.6
181.09772	1.3
183.11307	1.5
185.12891	2.9
187.10777	2.8
187.14339	5.0
189.12332	5.8
191.10657	23.1
193.05008	4.8
197.12885	2.8
199.14471	2.6
201.12352	12.4
203.06879	1.1
203.13951	6.2
203.53622	1.1
207.06465	1.2
211.05997	3.2
215.10339	2.1
215.13916	4.1
217.08409	1.6
219.08107	2.2
219.10161	23.0
219.13496	3.3
229.11815	8.6
231.27348	1.2
233.08029	2.2
233.14835	1.8
235.05952	2.7
237.11211	52.8
238.11620	2.4
247.12938	2.4
255.12315	8.1
259.05853	1.4
268.16638	3.0
277.06927	1.1
286.14243	1.1
286.17444	1.4
328.11932	1.4
355.16156	1.3
417.14969	3.9
417.20370	1.7
417.25278	1.3
417.48157	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	415.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60064	1.3
53.03934	2.0
55.05510	7.9
57.03433	6.8
57.07074	3.1
67.05504	49.9
67.35080	1.3
69.07066	10.0
69.65141	8.8
69.82444	1.4
71.04971	1.5
71.08609	1.3
79.05029	1.9
79.05491	40.2
79.40632	1.1
81.07052	55.6
83.08598	6.8
85.06532	3.0
91.05475	22.6
93.07039	58.6
95.04933	3.4
95.08601	40.3
97.06506	4.2
97.10182	2.3
98.21607	2.1
98.98463	78.1
105.07014	15.7
107.07887	2.2
107.08584	40.9
109.06516	1.6
109.09484	1.8
109.10162	18.2
111.08073	3.0
116.95643	1.2
116.99552	1.7
117.07018	12.0
119.06078	1.2
119.08566	22.4
121.10141	35.3
123.08062	2.1
123.11690	9.6
125.09674	1.2
131.08560	21.2
133.10136	11.2
135.08054	1.5
135.11691	29.0
135.33629	1.2
137.09659	1.9
137.13222	6.2
139.11234	2.2
145.10109	17.8
147.11693	10.2
149.09555	2.4
149.13245	26.0
151.11186	1.5
151.14760	2.6
153.12650	1.6
155.01033	85.6
159.11673	14.2
161.13269	10.1
163.14812	16.2
165.12801	1.9
173.13229	13.1
175.14828	3.5
177.12715	2.4
177.16368	5.1
179.14314	2.7
187.14777	9.1
191.14224	1.4
201.16420	2.7
205.15784	1.8
219.17439	1.5
233.18904	1.2
233.22614	5.0
243.21078	31.3
244.21208	1.3
261.22125	100.0
262.22443	5.6
415.22501	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	416.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45858	0.1
53.03940	0.2
69.03428	0.6
69.94682	0.4
69.95085	0.2
70.06586	0.5
72.08154	1.0
81.03402	0.5
84.04496	0.3
84.08148	0.2
85.02901	0.7
86.09700	1.3
87.00808	0.4
87.05563	0.2
94.06519	0.2
95.97382	0.1
98.20788	0.2
99.04475	0.1
105.01836	0.2
107.07321	0.1
109.02869	0.4
109.61101	0.1
120.08142	0.1
122.09660	25.0
123.09983	0.6
127.03922	0.3
129.10263	0.3
138.60063	0.1
148.07443	0.2
150.09132	15.0
151.09961	0.8
155.11707	0.1
168.10190	100.0
169.10567	2.2
210.11174	0.2
214.11943	0.2
246.14404	0.2
323.79373	0.1
330.15283	0.3
377.19214	0.1
400.85074	0.2
416.15485	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	416.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01859	0.3
65.03941	0.2
67.05506	0.4
69.03422	0.8
69.07056	0.5
70.06587	3.5
71.55148	0.4
72.08150	1.0
73.02905	0.2
73.45117	0.2
78.37999	0.2
79.05482	1.2
80.05018	0.2
81.03414	0.9
81.07053	0.4
84.04496	0.8
84.08118	1.4
85.02899	0.6
86.09703	5.2
87.00825	0.4
87.10020	0.5
91.05484	1.6
92.06264	0.9
93.05772	0.5
93.07036	0.3
94.06577	0.9
95.04958	0.7
95.08624	0.3
97.02903	0.4
99.04510	0.3
103.05466	0.6
105.07024	2.4
106.06557	1.0
107.04952	0.8
107.07351	3.9
109.02877	0.5
110.07171	1.2
115.05423	0.4
117.03381	0.3
117.05723	0.8
117.07011	0.5
119.04935	0.3
120.08069	1.5
121.08887	0.4
122.05991	0.3
122.09663	11.1
123.04446	0.5
124.05246	0.4
127.03908	0.6
129.10228	0.8
132.08099	0.7
135.06784	0.9
136.07558	0.4
137.05969	1.1
138.09113	0.2
145.02841	0.5
145.06491	0.7
150.09135	100.0
151.07538	1.0
151.09509	2.0
156.05664	0.2
160.26248	0.2
161.05992	0.4
167.07057	5.6
168.07396	0.3
168.10196	2.5
173.05933	1.1
177.05440	1.0
181.04951	2.7
182.05139	0.4
191.03436	0.3
191.07115	0.3
201.05557	0.4
217.08525	0.3
233.08046	0.5
235.07281	0.3
297.07507	0.3
299.08798	0.2
308.95926	0.2
329.10278	0.4
376.83084	0.2
387.14182	0.6
416.15024	0.9
416.22791	0.3
417.15445	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	414.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63870	2.4
55.01870	2.9
55.05507	5.7
56.05030	11.3
58.06602	3.8
60.04517	6.2
65.03927	5.6
67.05495	9.2
68.05027	4.9
69.03416	7.3
69.07064	3.4
70.06591	100.0
71.06903	4.3
71.11674	2.8
71.12011	5.0
72.08152	24.4
74.06071	14.5
79.05457	3.8
83.04976	19.8
83.06097	7.5
84.04507	35.4
84.08143	47.5
85.02908	11.9
86.09702	41.2
89.03903	4.9
91.05457	5.5
93.03411	9.3
95.04972	9.3
95.06062	3.9
96.04530	2.6
97.02868	3.9
101.07160	6.8
102.05550	6.8
102.97945	2.5
103.05466	4.8
107.04945	11.3
110.07175	15.7
111.04441	27.0
112.13155	2.7
113.07186	3.9
115.05472	3.3
115.08691	4.6
116.07103	14.1
117.03407	5.2
119.04935	4.1
119.07324	11.2
120.08090	6.0
121.02843	4.2
121.06483	7.7
123.04436	25.4
124.07564	3.3
127.08659	6.0
129.05472	10.2
129.10240	27.4
130.04976	3.5
130.06534	5.1
131.04872	5.1
132.04471	2.6
133.02870	7.5
133.06468	4.4
134.05978	5.3
135.04416	13.9
135.06729	3.7
136.06165	21.4
136.07584	17.3
137.06502	9.9
139.03899	12.4
143.04887	3.2
145.02881	12.4
146.03181	5.2
148.07619	6.3
149.06018	9.1
150.05492	7.5
151.03908	7.9
152.07053	7.6
155.08061	5.1
155.11781	4.1
157.04967	9.3
158.06012	7.4
159.04405	5.5
160.07874	4.0
161.05943	7.1
162.04086	10.2
162.05504	8.2
163.03856	44.4
164.07082	7.7
165.07838	11.2
166.04965	2.6
166.08620	6.8
169.13396	3.4
171.77934	2.7
173.09254	13.9
173.35071	2.7
175.06000	9.5
176.07022	29.7
177.05447	21.5
178.08604	8.6
179.03441	11.7
180.06561	6.9
181.04929	3.3
183.14980	4.9
186.05487	9.3
187.03920	9.4
187.10695	3.8
194.02109	3.0
194.08124	10.8
204.06577	40.1
204.10219	9.2
205.05046	8.9
222.07645	42.2
223.06001	9.7
229.15506	6.6
237.12379	8.9
240.08681	7.8
252.09401	6.7
253.04384	3.0
259.42923	2.7
269.12878	6.1
276.10541	2.7
281.09851	3.8
282.10217	12.2
302.90491	2.6
315.13245	9.1
353.08755	5.1
386.17276	3.4
393.18777	3.2
396.12842	25.7
397.11581	8.1
414.14053	29.8
434.75082	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	414.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78457	1.4
53.03931	2.2
55.01852	6.2
55.05514	12.7
58.99585	10.2
65.03921	1.9
67.05502	22.7
69.03443	1.8
69.07065	37.3
70.06595	2.8
70.60349	1.3
70.61836	5.6
76.02227	15.6
79.05490	15.3
81.07047	23.8
83.04981	3.8
83.08600	6.8
84.08125	2.7
85.06525	2.6
86.99024	3.4
91.05465	16.1
93.07045	19.0
95.04944	6.0
95.08604	17.8
97.06517	9.1
97.10159	3.9
105.00066	7.2
105.07043	20.0
107.04945	6.3
107.08604	11.3
109.06499	7.1
109.10143	6.6
111.08051	2.2
111.89310	1.6
112.39364	1.8
117.06998	5.6
119.08575	10.7
121.06502	6.2
121.10116	6.8
122.02718	61.2
123.08078	4.9
123.11683	2.5
125.09625	2.7
129.06958	1.6
131.08539	9.1
133.10143	12.6
135.08057	3.9
135.11697	3.4
137.09605	2.8
145.06337	1.8
145.10072	8.7
147.11711	9.3
149.09607	6.6
149.13277	2.0
151.11169	4.0
159.11691	5.2
161.09621	3.7
161.13248	4.5
163.11151	4.8
171.11794	2.7
173.13252	4.5
179.14305	3.1
183.11662	2.7
183.54277	1.6
187.11195	1.9
189.11195	3.7
207.13765	3.8
219.13814	3.2
239.17932	2.8
242.45494	1.7
247.20456	2.3
257.18961	12.2
275.20044	100.0
276.20392	5.5
293.21103	45.9
414.22717	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	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01873	8.5
55.05503	3.9
57.03434	17.8
59.05003	1.5
61.02928	16.9
62.14380	0.7
67.05499	1.1
69.03428	31.6
70.06601	4.2
70.76547	2.3
71.01351	2.8
71.04994	6.7
72.04532	0.9
72.08155	1.7
73.02915	79.8
74.03263	1.1
75.04491	0.8
79.05510	1.0
81.03419	6.7
81.07061	1.8
83.04981	1.8
83.08608	5.8
84.04519	1.5
84.08141	2.3
85.02903	100.0
86.03210	1.0
86.09704	5.3
87.04486	5.1
91.03958	5.6
91.05469	2.1
93.07050	1.1
95.04984	0.9
97.02891	62.2
97.06531	1.1
99.03891	1.0
99.04430	5.0
101.09692	1.4
102.16588	0.9
103.03936	3.5
105.06988	0.8
107.08600	0.9
109.02872	8.3
110.07162	1.9
111.08109	2.5
113.09625	1.3
115.03934	28.6
118.39555	0.8
118.71679	0.8
120.08133	1.3
121.06491	2.0
123.08086	1.1
127.03918	32.9
128.04303	0.7
129.05489	0.7
129.09113	2.3
129.10172	0.9
133.04961	37.2
136.07558	1.1
139.07539	3.2
141.09065	1.3
145.04956	50.5
145.10182	0.8
150.07637	3.3
151.07576	1.6
155.10655	1.0
157.04984	0.9
163.06015	21.7
164.07137	1.4
167.10689	1.3
169.08636	0.9
177.05447	1.7
179.10779	1.2
184.07375	3.5
193.04996	2.1
197.11758	1.5
199.06021	1.2
215.12811	2.1
217.07040	2.3
223.06026	5.9
227.12762	1.9
233.13835	0.9
241.07059	8.0
245.13908	1.6
259.08173	7.4
263.14822	4.0
271.10645	1.4
277.09247	2.4
295.10297	2.3
412.20129	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	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01872	7.3
55.05497	2.4
56.05020	3.2
57.03434	17.2
59.04975	2.5
61.02923	14.0
67.05497	2.6
69.03428	30.8
69.07060	2.8
70.06592	44.2
71.01338	4.5
71.04976	2.1
71.06941	2.5
71.09303	1.5
71.09659	3.5
72.08152	13.0
73.02916	74.1
74.06075	4.6
78.04709	1.5
79.05488	4.1
81.03397	7.9
81.07059	1.8
83.04971	2.6
84.04504	5.3
84.08151	11.7
85.02901	100.0
86.09702	34.2
86.72802	1.5
87.04450	5.9
91.03955	3.6
91.05450	2.3
94.07279	1.5
95.04957	2.5
95.08607	2.1
97.02887	52.5
97.06470	2.1
98.03197	1.7
99.04440	6.3
101.07160	3.1
102.05515	1.9
103.03937	2.6
105.07010	3.7
106.07370	1.4
107.04963	3.6
109.02868	8.5
109.06447	2.1
110.07132	4.1
111.04386	2.0
112.08734	1.9
115.03926	24.4
117.03400	2.4
119.04986	1.8
120.08100	22.0
123.04471	1.7
127.03911	30.2
129.10236	4.9
133.04951	31.7
136.07581	3.8
136.50569	1.5
137.05980	7.9
145.02998	7.2
145.04956	57.1
148.07629	1.7
150.07573	1.9
152.07076	3.0
158.09715	1.7
159.09320	1.7
163.06017	26.0
166.08630	3.0
167.06981	3.0
176.10672	3.4
177.05495	10.2
181.04939	5.4
183.14912	2.6
199.05949	1.6
199.18057	2.2
213.69887	1.8
214.18079	2.1
216.10919	1.6
217.11742	1.6
221.12828	12.1
223.05998	3.1
227.17538	1.8
233.08102	2.7
241.07069	5.4
249.12358	3.6
252.13049	1.6
259.08151	5.1
265.16467	1.7
277.08963	2.8
365.20126	1.7
382.42664	1.5
383.14899	2.3
415.14032	2.6
424.58160	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	410.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.6
56.05032	4.2
56.78309	3.8
57.07061	7.3
60.04531	4.3
67.05499	13.0
69.03415	7.2
69.07066	11.3
69.21280	3.3
70.06591	84.1
70.89175	12.7
71.04990	3.6
71.08609	11.8
72.08149	15.1
72.51644	3.7
73.95709	4.7
79.05481	19.0
81.03391	8.0
81.07040	16.9
83.04972	7.1
83.08616	8.0
84.04505	9.0
84.08131	19.2
85.02927	11.3
85.10168	31.6
86.09715	28.4
88.03963	5.0
91.05463	14.9
93.07039	19.2
95.04974	4.6
95.08604	15.7
97.06512	11.8
99.08094	15.0
100.11240	14.1
103.05485	3.8
105.07030	5.3
107.08618	10.0
109.10140	6.2
110.07163	9.1
110.73376	3.4
113.09645	100.0
119.08516	5.3
120.08111	41.5
127.03881	5.0
129.10265	11.0
133.10138	6.7
135.04451	5.3
135.11613	18.6
136.07603	7.0
137.06006	9.8
149.13286	9.5
151.11171	9.1
159.09196	6.1
163.03905	6.6
164.07007	4.2
167.14285	12.8
177.05411	5.0
187.58449	4.4
195.13808	24.8
213.14870	21.0
231.15811	9.5
247.38315	4.4
249.07555	4.6
254.29686	3.8
263.13898	11.0
330.20490	4.7
348.21786	6.0
352.10403	4.1
356.18576	4.2
396.53415	3.9
410.20615	4.5
410.25693	9.2
410.33765	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	413.1419
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.58758	0.3
55.01883	0.4
55.05494	0.6
56.05025	2.0
57.03423	0.7
57.53907	0.4
58.31760	0.3
60.04518	0.7
69.03427	1.7
69.07063	0.4
69.90593	2.2
70.06591	13.2
72.08156	4.4
74.06091	3.6
84.04502	3.3
84.08141	5.9
85.02893	0.8
86.09697	5.4
87.05616	0.5
87.10052	0.4
88.03944	0.4
89.03908	1.3
91.05482	0.5
92.02480	0.4
98.06071	0.4
102.05541	1.8
107.04913	0.5
110.07154	2.4
112.08705	0.4
115.08642	0.5
116.07082	1.7
117.03387	4.7
119.03529	3.0
119.04890	0.4
120.06574	9.1
120.08059	1.2
127.03895	1.1
129.10251	2.7
135.04433	0.9
136.06178	100.0
137.04575	1.5
137.05827	0.6
141.10185	0.4
143.11652	0.5
145.02840	12.7
149.05965	1.4
152.07048	0.4
162.04112	63.5
163.03899	1.1
164.07077	0.6
169.13528	0.4
171.11311	0.6
177.05472	19.2
186.05415	0.4
199.10728	0.9
213.12325	1.6
219.06535	2.8
251.09137	9.3
263.09363	0.4
268.10345	1.5
281.09915	45.3
282.10052	1.0
298.17523	0.5
350.23883	0.4
372.36755	0.4
395.13373	0.6
404.47150	0.4
413.14297	1.7
413.24438	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
55.01876	10.2
55.05491	6.7
57.03436	7.4
57.07070	4.7
57.82188	4.6
60.67480	5.1
61.02918	4.9
67.05490	17.9
69.03432	58.4
69.07064	35.6
70.06609	24.8
71.04964	7.5
71.55535	5.5
72.08137	9.9
73.02909	8.8
79.05476	13.5
81.03403	39.6
81.07052	22.9
83.04971	5.3
84.04475	9.4
84.08144	18.0
85.02901	100.0
86.09702	17.6
87.00822	36.1
91.05479	17.4
93.07035	14.6
95.04993	8.6
95.08587	11.3
97.02901	32.5
97.06503	7.3
99.04442	17.3
105.01856	65.6
105.07017	16.2
107.04924	5.2
107.08559	9.4
109.02868	32.5
109.06503	8.6
111.04391	6.0
111.11739	14.2
116.07075	5.3
117.03377	7.5
117.07008	5.2
119.08598	7.9
120.08112	19.1
121.06509	6.1
121.10141	6.2
125.06052	5.7
127.03914	98.7
129.07024	8.0
129.10204	9.5
129.12712	14.6
130.08650	7.3
135.04454	5.6
135.08046	7.3
136.07603	5.7
137.05928	11.0
145.02798	7.8
145.04993	22.0
145.10098	12.7
147.11705	4.4
157.12245	6.4
159.02965	5.7
163.03880	10.3
173.09641	7.6
177.05437	14.0
177.80914	5.1
187.11136	9.8
191.84564	4.6
205.04979	10.8
205.12212	8.4
213.03964	10.2
219.06477	32.9
223.05896	6.3
231.04988	37.6
247.06055	13.9
265.07080	11.5
291.19611	7.9
341.16022	10.6
359.17047	13.7
423.19119	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	410.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50498	1.1
50.59505	0.9
53.03946	7.5
55.01879	7.4
55.05509	2.1
56.05033	1.4
57.03452	7.1
61.02918	4.7
67.05499	3.8
68.99786	1.4
69.03432	28.8
69.07061	3.7
69.34204	6.2
69.34637	3.3
70.06583	8.0
71.04991	6.2
72.08138	2.8
73.02918	9.3
78.90163	1.2
79.05482	3.4
80.05021	1.1
81.03416	26.7
81.07056	3.4
83.01334	0.9
83.08607	2.2
84.04481	2.1
84.08140	4.4
85.02903	100.0
86.09698	6.8
87.00826	34.0
91.03941	2.1
91.05486	5.3
93.07050	2.9
95.04950	2.3
95.08613	2.0
97.02891	40.5
97.06519	1.6
98.06044	0.9
98.98505	1.1
99.04448	18.3
101.02351	1.5
103.05457	1.5
104.87301	1.0
105.01865	65.1
105.07051	3.4
107.04967	2.1
107.08592	1.7
109.02882	30.6
109.10149	9.7
110.06023	1.0
117.01842	4.2
119.08578	2.1
120.08094	3.8
121.06483	1.3
121.10103	1.0
127.03913	75.6
127.11235	3.1
128.04254	1.3
129.01840	3.4
129.10223	2.1
130.04945	1.3
131.04953	1.2
133.06445	1.8
135.04388	3.0
137.05977	5.4
137.25699	1.0
145.04955	45.2
145.12221	11.7
147.02881	2.8
147.04396	2.1
149.05969	2.8
149.09627	1.2
153.05437	1.5
159.02896	23.8
159.08069	1.6
161.05963	3.0
163.03909	4.7
163.07574	1.3
177.03931	1.6
180.10144	1.3
189.03970	1.8
213.03946	3.8
231.04999	19.7
249.06015	4.6
273.14926	2.4
291.15979	1.1
299.16458	1.5
303.15887	2.6
317.17639	2.3
329.17377	1.2
334.20282	2.5
347.18781	1.4
349.19855	1.9
378.22665	3.1
392.24463	5.2
410.25415	3.6
411.15170	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	411.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	0.5
67.05535	0.2
69.07043	0.4
70.06254	0.3
70.06587	2.9
72.08136	1.7
74.06042	0.6
79.05499	0.3
84.02106	0.3
84.04473	0.6
84.08145	2.3
85.02894	0.4
86.09700	2.7
87.05588	0.5
87.55205	0.2
87.63107	0.2
88.03980	0.6
96.21030	0.3
98.20737	0.6
104.05281	0.6
110.07106	0.6
110.13473	0.2
112.08704	0.3
116.07123	0.4
120.08103	1.4
129.10249	1.3
130.64433	0.3
136.07584	0.3
144.10220	0.3
161.12860	0.4
203.05444	0.3
207.08519	0.2
216.71959	0.2
249.10809	1.0
267.10739	2.6
268.04626	0.2
285.11685	0.3
291.10779	0.6
301.58289	0.3
309.11795	0.7
348.60974	0.3
410.27921	0.3
411.16144	100.0
412.16452	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	410.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
57.06800	2.0
57.07072	34.7
69.07043	3.4
71.08630	26.2
71.57050	2.0
73.06531	4.9
74.54993	1.8
81.07040	3.0
83.08603	3.0
85.10182	21.8
89.06025	100.0
91.05482	3.6
93.07607	1.9
95.04954	2.1
95.08604	3.3
97.10148	2.3
99.11716	3.5
105.07032	4.6
106.07378	2.1
107.07069	4.6
107.08613	2.0
109.10162	2.1
119.08560	3.3
120.08877	1.8
121.06527	2.0
130.08621	3.8
133.08595	50.7
147.11717	1.9
148.11996	2.6
151.09668	5.8
155.17859	2.2
165.09019	2.2
177.11218	13.2
195.12332	3.2
199.20546	2.2
221.15450	2.5
222.15791	2.8
239.14886	25.3
243.23134	3.9
267.89224	1.8
280.22726	1.8
287.25891	2.2
393.32245	18.6
410.27475	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	410.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
56.05009	1.1
57.06841	0.4
57.07071	5.8
58.06588	2.5
61.38657	0.5
65.03932	2.0
67.05482	1.2
69.03410	0.7
69.07061	0.9
70.06590	22.4
71.04965	0.8
71.08616	2.9
71.09767	0.8
71.10088	0.8
72.08129	1.9
77.11031	0.4
81.07058	1.2
84.04476	0.8
84.08115	1.6
86.09677	2.3
88.07623	22.8
88.08161	1.3
91.05419	0.6
93.07001	2.0
95.04942	0.7
95.08579	1.1
102.09176	15.3
102.63490	0.6
103.01881	0.6
105.07001	1.2
107.04935	0.8
107.08543	0.7
113.09674	0.7
119.08575	0.6
120.08058	0.8
121.02819	1.0
121.10112	1.7
129.10216	1.0
130.04991	0.6
133.10133	1.0
134.04446	0.8
137.05902	0.8
139.03874	1.3
149.02335	62.5
149.03415	3.5
150.02650	1.4
156.17445	0.8
162.02200	1.0
163.03859	1.1
183.22420	0.5
190.01523	0.8
193.04953	58.1
194.05273	1.9
200.20082	61.2
201.20450	2.6
203.17917	1.2
208.02724	1.2
233.41098	0.6
237.07558	74.8
238.07898	2.9
244.22670	1.2
307.09961	0.7
410.25339	100.0
411.25623	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.05510	14.6
55.52390	2.4
56.05864	2.4
57.07073	4.2
67.05502	21.3
69.03430	3.7
69.07059	24.1
70.06599	8.6
71.04969	2.8
71.55850	3.8
75.51746	2.9
79.05506	15.9
81.03413	4.1
81.07057	35.5
83.04964	3.5
83.08631	12.1
84.04513	4.2
84.08138	6.1
85.06600	3.0
85.39165	2.5
86.09701	5.6
91.05495	12.4
93.07040	30.3
95.08604	49.2
97.10177	4.3
100.11298	3.8
105.07043	24.1
107.08587	44.5
108.08926	2.5
109.10155	25.2
111.11738	3.2
117.07036	3.7
119.08582	33.0
121.06550	6.8
121.10143	31.8
123.08023	2.8
123.11708	13.2
131.08586	27.0
133.10135	22.8
135.11662	23.1
137.09642	3.5
137.13286	10.4
142.69560	2.7
143.08615	6.8
145.10101	18.1
145.49568	2.8
147.11708	14.2
149.13283	11.0
157.10185	6.9
158.11043	3.0
159.11713	15.5
161.09776	2.7
161.13269	11.1
163.14839	33.4
169.10191	2.8
171.11725	9.7
173.13237	13.4
175.14851	10.7
177.16373	23.6
179.14340	5.1
182.15543	4.5
183.11716	6.1
183.15752	5.1
185.13300	4.6
187.14833	25.1
189.16383	22.0
191.14322	5.4
191.17998	6.4
199.14795	6.6
201.16380	22.9
203.14346	7.6
203.17992	10.0
205.15891	7.6
207.17566	3.0
209.21815	2.8
211.15042	7.2
213.16414	8.0
215.18042	8.0
217.16019	3.0
217.19505	7.1
219.17624	2.9
220.63806	2.9
225.16385	3.3
227.18054	6.1
229.16039	5.7
229.19547	11.8
239.18005	3.5
241.19582	6.2
243.21136	4.6
253.19633	8.6
255.21002	21.7
257.18936	2.8
257.19958	3.1
257.22656	26.3
267.21280	5.4
269.22684	26.3
281.17450	4.1
285.22299	3.5
310.22009	3.2
391.33746	17.9
409.23505	5.6
409.34741	100.0
410.34930	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	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.90623	1.7
53.03937	3.2
55.01864	2.4
55.05502	20.7
57.07071	5.9
59.04985	2.6
62.72696	1.7
65.03931	2.9
67.05504	19.7
68.80649	1.8
69.03417	6.5
69.07057	8.1
69.45448	18.3
79.05482	21.9
81.03415	2.3
81.07049	37.4
83.04994	3.6
85.06536	3.0
91.04058	1.8
91.05476	35.9
93.07038	47.7
95.04958	46.2
95.08606	27.0
97.06523	9.8
98.20800	3.8
103.05460	2.7
105.07027	100.0
107.04920	3.3
107.08589	24.3
109.06516	10.9
109.10153	9.6
110.49441	1.7
111.08073	4.5
117.06998	11.7
119.08574	59.2
121.06512	14.3
121.10145	12.1
123.08048	16.9
128.06184	4.0
129.06969	5.6
130.07755	4.4
131.08559	22.5
133.06471	4.6
133.10101	16.3
135.08041	14.2
135.11679	5.1
137.09627	6.7
141.07008	3.9
142.07777	10.4
143.08583	12.8
144.09386	3.6
145.06558	2.2
145.10109	34.8
147.08069	16.8
147.11685	44.3
149.09576	10.6
151.07520	17.8
155.08598	6.1
156.09373	5.4
157.10133	16.2
158.10944	2.0
159.08054	4.4
159.11713	14.9
161.09648	7.0
161.13266	3.3
163.11169	5.3
163.14711	2.4
165.09097	34.7
168.09291	3.4
169.10115	9.6
171.11705	9.3
173.09665	3.5
173.13277	6.6
175.11160	29.3
177.09134	3.3
179.08595	1.9
181.10114	4.7
182.10919	2.7
183.11671	11.5
185.13297	6.1
187.11197	5.1
187.14830	4.6
189.12796	4.6
195.11763	3.0
197.13167	2.9
199.11156	3.2
201.12735	8.5
201.16418	3.1
203.14362	14.6
207.13800	6.3
209.13289	3.5
209.15154	2.3
211.14888	5.0
213.12720	4.1
219.13797	3.5
221.15353	65.6
222.15706	2.0
223.14911	2.3
225.12900	2.2
228.97935	2.0
229.15886	4.9
231.13835	3.9
233.15363	2.6
234.16103	16.8
239.25369	2.2
253.15892	2.3
286.19424	2.2
287.19992	7.9
298.09961	2.0
299.19949	2.2
300.20850	4.8
329.21088	5.3
391.26160	4.8
392.31476	3.9
409.27243	40.7
409.32797	2.8
409.34821	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	410.192
Annotation	Asp Tyr Leu
Peak:m/z	Relative Intensity
55.05492	1.3
56.05024	1.5
60.04504	1.0
61.01144	0.9
67.05486	0.7
69.03432	0.7
69.07050	1.1
70.02945	1.8
70.06587	13.5
70.69553	1.1
70.69935	0.7
72.08148	6.4
73.08478	0.6
74.06062	1.5
84.04498	3.7
84.08145	7.9
85.02922	1.3
85.04023	17.8
85.08456	0.7
86.09702	22.5
87.05633	0.6
87.10048	0.9
88.03983	7.9
91.05472	13.1
95.04961	1.0
98.02408	2.3
100.30511	0.5
101.07159	0.9
102.05525	1.0
103.05470	0.8
104.05298	1.1
105.03349	0.6
105.07005	0.7
107.04951	6.8
109.06516	0.9
110.07155	3.0
112.08690	0.9
115.08712	0.6
116.07063	0.7
118.06524	0.6
119.04929	11.7
120.08110	6.3
121.06510	1.5
121.08419	1.2
129.10254	4.7
132.10204	5.2
135.04425	0.9
135.06789	9.7
136.07570	79.6
137.06013	0.6
137.07921	1.4
141.10245	0.6
144.06535	0.5
145.06491	0.6
146.05997	27.3
152.07120	0.7
160.07564	9.4
162.05464	0.9
163.08650	1.6
164.07022	1.2
173.06128	0.7
174.05510	0.9
187.04654	0.5
187.14604	0.5
188.07069	10.4
191.08134	5.1
192.06447	0.7
198.05569	0.9
201.12352	0.7
206.08105	9.5
206.09915	1.0
216.06525	1.3
221.12845	0.6
230.15076	0.5
233.09161	4.1
234.07700	2.6
248.12987	0.7
251.10254	100.0
252.10641	3.3
261.08643	1.8
279.09744	11.1
286.86035	0.5
294.17548	0.5
295.16467	2.7
314.08380	0.7
332.09686	1.0
336.22211	0.5
346.17587	1.2
350.10541	0.9
378.10138	0.5
410.12930	1.1
410.18515	4.9
411.19278	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04283	3.2
55.01859	4.0
55.05510	17.7
57.07059	6.5
58.01489	2.8
59.04989	3.1
59.85105	3.2
65.82749	2.5
67.05500	18.4
67.10085	3.0
69.03421	7.8
69.07067	13.0
69.59760	17.0
79.05491	17.0
81.07048	33.0
83.08608	4.4
91.05475	36.9
93.07043	41.0
95.04964	44.1
95.08589	23.8
97.06522	6.8
100.41034	2.7
103.05508	3.1
105.07025	100.0
107.08586	32.2
109.06530	12.8
109.10156	12.5
117.07019	13.6
119.08566	59.9
121.06490	14.5
121.10149	18.9
123.08038	20.3
123.11785	4.3
128.06229	6.8
129.07013	6.4
131.08572	23.6
133.06508	5.7
133.10107	13.9
135.08041	15.9
135.11734	4.3
137.09628	7.4
141.07027	5.0
142.07771	11.8
143.08572	11.8
144.09325	3.1
145.06523	2.9
145.10088	29.6
147.08023	13.4
147.11678	42.2
149.09608	12.2
149.13246	3.0
151.07523	15.9
155.08545	7.1
156.09381	6.1
157.10098	18.5
159.08044	5.2
159.11650	14.5
161.09593	3.3
161.13286	7.4
165.09076	25.2
167.08539	5.1
169.10156	7.0
171.11665	10.9
173.09680	3.6
173.13225	6.5
175.11168	27.0
175.14780	4.5
177.09056	3.5
177.16353	6.1
183.11681	8.1
185.13274	6.1
189.12688	8.1
195.11711	2.8
197.13235	4.3
198.10394	3.2
201.12659	9.3
201.16371	4.4
202.00043	2.5
203.14328	14.8
205.15872	6.1
207.13812	7.0
211.14856	5.6
219.13646	5.0
221.15358	51.7
229.16075	3.9
233.15405	3.4
234.16216	18.6
287.20084	6.8
300.20767	3.7
346.08984	3.6
359.38321	2.5
391.26355	4.6
409.27310	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	37.3
56.05033	2.8
56.05842	11.3
58.99580	19.0
59.99914	2.5
60.99160	2.0
70.06590	7.5
71.44788	3.5
72.08137	2.8
73.01129	1.4
76.02221	10.1
76.03992	5.1
77.02538	2.0
78.01804	1.6
81.07066	1.9
82.07389	1.9
83.06094	1.9
83.08621	47.7
84.04503	29.9
84.08132	4.6
84.08957	22.0
85.04839	9.0
85.38084	1.5
85.65644	1.6
85.91133	1.5
86.09721	11.6
86.99049	16.6
87.99378	2.7
88.02209	5.3
91.05479	1.8
98.09718	1.6
99.05556	1.9
101.09674	3.0
102.09912	1.4
116.01677	61.4
117.02061	19.8
118.01259	5.2
118.73988	1.4
120.08105	10.0
121.08404	2.1
129.06580	3.7
129.10260	3.4
130.05040	8.0
131.05357	2.7
136.07597	7.4
142.03203	5.1
142.07703	1.6
144.01147	27.4
145.01482	11.4
146.00711	3.3
151.09035	1.5
159.08392	32.4
160.08731	26.1
161.07951	1.6
162.02205	100.0
163.02550	45.1
164.01802	6.9
170.02559	2.0
176.11069	3.2
177.11351	3.2
205.08614	2.0
261.11041	2.6
262.11035	29.1
263.11411	51.7
279.13745	7.3
280.14014	18.9
333.14627	2.4
334.15094	14.3
353.98679	1.5
409.10873	4.0
409.18335	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	408.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05037	2.4
57.03424	0.3
60.04515	0.5
69.07083	1.9
70.06593	5.0
71.06938	0.5
71.57786	0.4
72.08147	2.1
81.07047	0.4
83.06102	0.7
84.04502	20.7
84.08136	3.2
85.02932	1.2
86.09702	54.2
87.10033	1.2
91.05469	3.9
93.07040	1.2
95.08610	0.5
102.05540	8.2
103.05468	3.0
105.07102	0.4
107.04995	0.4
110.06032	0.4
110.07166	1.3
116.07108	0.7
119.04922	1.6
119.07345	0.6
120.08099	100.0
121.08447	7.5
125.35287	0.4
129.10255	1.1
130.05022	0.4
130.06534	1.3
132.10197	30.4
133.10469	0.4
133.12144	0.4
136.07570	15.0
137.05946	0.4
144.08011	0.5
148.07535	0.4
158.09615	1.1
159.09180	0.4
162.02214	0.6
165.10280	0.9
166.08635	0.9
166.10579	0.9
177.05469	0.5
186.07536	0.7
186.09137	11.5
187.09575	0.4
203.11911	0.7
204.10139	3.5
215.13907	0.5
215.64969	0.3
231.11273	23.2
232.09587	0.5
232.11638	0.9
233.16414	0.5
239.28285	0.3
242.14857	0.5
243.13216	0.5
249.12311	20.6
249.15952	7.2
250.12646	0.6
259.10733	5.0
260.11002	0.8
275.45990	0.4
276.13403	0.9
277.11594	3.4
277.13904	0.4
277.15579	0.8
279.17093	2.9
295.16476	2.1
344.19412	0.4
407.83749	0.4
409.17419	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	408.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99118	2.1
59.99954	1.9
62.84279	1.8
69.10527	2.0
70.06606	2.1
71.46946	3.2
77.00882	2.1
84.08137	2.0
86.22129	2.0
91.05488	13.6
116.73617	1.8
117.03987	2.4
119.01916	7.7
119.04971	10.5
120.01944	3.1
121.01653	2.3
127.02330	1.8
128.02512	1.8
135.05038	4.3
136.05161	4.1
136.07559	2.8
137.03040	2.7
137.05972	100.0
138.02925	2.1
145.03458	16.9
146.03624	9.8
147.03215	4.3
154.08638	41.0
157.03397	2.7
161.02934	4.2
163.04495	4.5
164.04623	5.0
165.04315	2.6
183.05000	2.5
185.02962	2.1
196.05252	2.1
202.89099	3.0
211.04472	2.6
214.06245	5.0
215.05794	3.2
219.47487	1.8
235.06731	4.5
240.04143	2.5
253.07654	6.1
258.05356	2.2
302.04306	4.0
303.09207	15.0
321.10196	7.8
347.08148	4.6
352.99573	1.9
365.09366	4.1
379.26108	2.0
391.07306	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	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.1
56.05021	5.6
57.03440	1.4
59.59689	1.4
60.04514	2.6
65.79317	1.4
66.53679	1.2
67.05503	1.5
68.38200	1.4
69.03426	3.6
69.07067	1.7
70.06207	2.7
70.06586	35.0
71.06921	2.2
72.08148	17.5
73.10439	1.2
74.06069	4.4
78.60661	1.3
79.05483	1.6
81.03417	2.7
81.07059	1.5
83.06078	2.2
84.04501	13.5
84.08136	30.2
85.02897	7.7
86.06107	2.0
86.09705	26.0
87.05583	2.2
87.10040	2.1
88.03989	2.9
91.05478	3.1
95.04951	1.9
96.08158	1.5
97.02888	3.1
101.07166	2.4
102.05508	3.0
104.05347	1.8
107.04949	5.0
109.02873	2.0
110.07172	6.9
112.08723	4.1
115.08664	1.7
116.07102	1.9
120.08091	21.7
121.06531	2.2
121.08474	2.9
122.06050	1.7
123.04408	4.4
129.10249	14.9
130.04980	2.9
136.07585	5.0
137.05983	5.6
143.11790	1.7
145.09747	1.9
146.06010	1.8
147.07652	3.8
149.06000	2.0
151.07468	1.9
152.07066	2.1
161.05952	1.8
164.07114	2.3
167.07028	100.0
168.07364	2.1
173.09338	1.4
176.07082	1.4
193.08607	3.8
211.09613	19.2
229.10709	10.3
237.12363	2.7
246.11253	1.9
252.80653	1.4
261.10739	2.7
268.04877	2.2
311.95599	1.4
371.92480	1.5
391.12009	1.6
408.16702	9.4
408.24606	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	408.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	41.6
56.05027	1.9
58.99332	1.9
58.99587	19.4
70.64814	5.6
73.01131	2.3
76.02214	9.7
76.03989	4.1
81.07049	3.7
83.06109	2.8
83.08614	45.9
84.04501	26.6
86.99057	18.1
88.02219	3.6
93.64978	1.4
99.05592	2.6
101.09660	3.3
105.00087	1.5
107.08628	1.7
110.78861	1.5
115.05773	2.0
116.01675	73.3
128.68011	1.5
129.06586	4.6
129.07445	2.7
130.04993	4.0
134.26486	1.4
142.03230	5.1
144.01134	32.6
159.08380	35.2
162.02194	100.0
176.11014	2.5
199.07278	1.7
261.10675	2.3
262.11087	52.4
279.13739	13.8
333.14835	17.9
408.17941	4.0
411.56204	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	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03940	2.3
53.71691	1.3
55.05510	13.8
57.07083	8.1
67.05503	20.9
69.07065	25.2
69.96912	5.5
71.08609	2.4
79.05486	11.2
81.07055	53.0
81.07535	2.7
83.08616	12.2
91.05483	10.3
93.07037	26.1
95.04967	1.5
95.08603	92.3
96.08933	2.2
97.10162	6.5
98.21558	1.5
105.07021	24.9
107.08588	39.5
109.06548	1.2
109.10151	55.3
111.11705	3.6
117.07019	4.2
119.07712	1.4
119.08576	36.8
121.10137	41.9
123.11706	28.6
123.12596	1.7
125.13268	1.4
127.41299	1.2
129.07080	1.6
131.08569	11.0
133.10115	32.3
135.11691	24.0
136.72961	1.1
137.13249	18.7
143.08559	7.0
145.10120	16.1
147.11694	20.6
149.13242	20.0
151.14821	2.7
157.10143	7.2
158.10915	2.1
159.11690	17.4
161.13260	20.3
163.14804	13.0
163.52745	1.1
171.11743	6.3
173.13248	13.6
175.14786	12.7
177.16377	17.6
179.17949	3.3
185.13168	5.4
187.14824	12.5
189.16368	18.8
191.17963	15.3
199.14824	4.7
200.15579	1.2
201.16365	24.4
203.17966	30.5
205.19492	7.0
213.16418	7.1
215.17932	13.5
217.19511	18.8
219.21149	3.6
225.16434	1.3
227.17877	5.7
229.19525	12.0
231.20935	8.0
239.17929	2.0
241.19495	5.5
243.21057	9.0
245.22794	3.5
255.21019	14.2
256.21527	1.4
257.22604	8.9
267.20969	1.7
268.21313	1.1
269.22662	15.8
271.24271	5.3
283.24268	5.8
294.62091	1.2
297.25803	4.6
311.27380	1.6
323.27237	2.3
337.28891	2.3
351.30450	1.2
407.36740	100.0
408.37286	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	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05504	10.2
57.07075	5.8
67.05501	21.2
69.07066	23.3
70.06567	1.6
71.08601	1.5
71.51488	1.6
75.58403	1.0
76.98338	1.0
79.05485	8.2
79.65179	1.2
79.70042	1.0
80.22112	1.1
80.85735	1.1
81.07051	45.0
83.08601	9.8
84.04487	1.1
84.08134	1.0
91.05472	10.3
93.07043	23.4
95.08604	71.6
95.43161	1.1
96.08918	1.4
97.10162	6.6
98.76124	1.3
103.29529	1.1
105.07021	23.5
107.08585	40.1
109.10149	44.2
111.11711	3.4
117.07019	3.5
119.08579	28.3
121.10139	33.7
123.11700	22.0
129.06973	1.5
129.31334	1.1
131.08559	8.0
133.10120	26.4
135.11691	19.5
137.13258	16.4
143.08572	4.2
145.10120	16.1
147.11674	17.9
149.13243	16.0
151.14835	3.0
157.10120	6.8
159.11682	14.0
161.13254	15.3
163.14818	15.0
169.10132	1.2
171.11711	4.7
173.13254	13.2
175.14796	10.7
177.16382	13.9
179.17940	2.7
183.11719	1.5
185.13181	5.7
187.14836	11.9
189.16370	17.8
189.17940	1.7
191.17947	14.5
197.13313	1.4
199.14833	5.8
201.16394	18.4
202.16878	1.5
203.17941	28.4
205.19479	6.9
213.16464	4.2
215.17976	12.8
217.19502	16.7
219.21106	2.8
227.17973	4.3
229.19463	11.3
231.21063	5.4
241.19514	4.9
243.21111	6.2
245.22693	2.8
255.21094	10.7
257.22668	8.9
269.22574	13.1
271.24182	3.2
283.24188	4.0
297.25833	4.0
309.25803	1.5
311.27359	1.7
323.27527	1.3
337.29089	1.7
347.08987	1.3
351.30527	1.2
365.32086	2.6
376.25775	5.7
407.36734	100.0
408.37085	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	407.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70932	0.8
57.96127	0.7
58.99858	4.1
69.03422	0.8
70.06594	0.9
71.56135	1.2
71.56532	1.2
72.08112	0.9
73.91137	0.8
77.00893	4.2
84.04515	1.0
84.08150	2.4
90.85635	0.6
95.01910	1.1
96.92859	0.7
99.02984	1.1
101.00902	2.4
103.02435	5.0
109.01407	2.0
117.03143	1.0
117.03306	0.5
117.03991	24.6
119.01919	27.1
121.03488	3.6
124.05273	0.9
127.02380	7.2
128.05075	0.8
129.03973	1.1
129.10092	0.8
133.03491	0.9
135.05032	30.4
136.05174	0.8
136.07520	0.8
137.02954	14.3
137.03920	1.3
137.05997	1.8
140.05525	0.9
142.03490	1.0
143.01888	5.2
143.05589	0.9
145.03459	100.0
146.03563	1.7
147.01381	3.0
147.04991	1.0
157.07115	4.5
158.06665	1.0
159.05025	7.7
161.02965	5.9
161.06612	1.6
163.00912	1.1
163.04517	42.5
164.04655	1.9
165.02473	1.4
167.05545	1.6
168.05078	4.3
169.03474	2.9
169.07159	1.8
171.01379	5.1
171.05000	4.7
174.89670	1.6
175.08154	6.7
176.89427	1.2
177.06111	2.6
179.04103	0.8
183.05019	4.3
185.03050	2.0
185.06609	21.2
186.06189	1.4
187.01009	0.8
187.04517	9.0
187.08063	1.9
189.02437	16.3
189.06078	2.2
195.05034	18.9
197.02963	1.4
201.06100	11.0
202.89160	2.3
203.04065	1.6
203.07634	5.7
204.88896	12.6
204.90643	1.3
205.05585	2.2
207.03511	8.9
208.08183	1.2
210.06070	0.8
211.04523	11.0
213.02502	3.1
213.06068	38.0
214.06396	2.2
214.85052	6.2
215.03989	6.5
221.02992	1.8
227.04054	4.8
229.05551	10.8
231.03537	2.7
231.07162	2.7
233.01483	2.4
234.06232	1.2
236.07706	4.0
237.02554	2.5
238.05571	1.0
239.03993	16.0
240.04259	1.0
241.01956	3.0
245.05128	1.8
246.90192	0.8
247.06647	3.0
251.02533	3.0
255.03462	3.8
257.05057	21.0
258.05121	1.1
259.03030	3.2
262.05634	0.9
265.01944	1.8
268.94476	1.6
270.94531	2.6
273.04510	4.6
275.02484	2.6
275.05969	2.0
280.06696	1.6
283.02972	7.4
291.05600	3.5
301.04065	14.5
303.01938	4.0
308.89935	5.7
319.05179	3.7
327.01990	3.3
344.04364	1.1
345.02997	3.8
371.00909	8.4
389.01913	10.3
407.02893	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	407.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.05029	1.6
57.05812	0.5
57.33004	0.4
60.04510	1.0
68.05029	0.6
69.07059	3.7
70.06593	27.4
70.82438	1.0
71.06908	1.3
72.08154	4.5
73.10856	0.3
74.06055	0.5
76.02224	0.6
79.05488	0.6
80.05009	0.5
81.03424	0.8
82.06613	0.5
83.06107	8.4
84.04507	13.1
84.08147	5.6
85.02921	0.6
86.09707	100.0
87.05621	0.4
87.09486	0.4
87.10030	1.3
91.05493	1.0
93.07059	0.4
95.04957	0.7
95.06080	0.5
96.04496	0.5
97.06577	0.6
101.07146	3.1
103.05460	0.8
107.04991	0.5
110.07173	1.8
112.03965	0.4
112.08724	1.3
113.07188	0.4
115.08706	0.8
119.04998	0.5
120.08106	26.8
121.08448	0.3
124.03964	1.1
124.07594	0.5
125.09633	0.5
129.06540	2.1
129.10248	2.7
130.05046	0.5
131.04976	0.6
131.11806	19.2
132.10242	0.8
135.04475	0.4
136.07579	1.3
136.11212	0.6
136.81654	0.4
137.05962	0.6
143.11887	0.5
147.04472	0.6
149.05888	0.5
151.07452	0.4
152.10715	1.4
157.13348	0.8
162.02260	0.6
166.08632	8.1
169.13388	0.6
170.06050	0.4
177.05469	0.5
179.04918	0.6
181.04977	0.7
183.14915	2.4
185.12891	0.7
186.09123	0.9
189.12325	1.0
191.11893	0.7
196.14471	3.2
197.12830	1.9
205.09773	0.6
208.09705	4.0
209.10266	0.4
211.13359	1.4
214.15523	2.6
219.11235	0.9
221.08102	0.4
223.10774	0.8
224.13953	1.3
225.12315	7.3
230.12956	1.2
231.11253	2.8
242.14992	19.3
254.12619	0.7
276.13425	6.7
276.16235	0.6
277.11783	3.2
279.17078	0.6
287.14026	0.5
294.14426	2.2
318.18765	0.4
389.13748	1.1
389.21860	1.8
390.20160	0.6
406.75357	0.5
407.27060	0.5
416.10751	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	407.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12074	0.9
56.05017	1.3
58.99860	5.2
70.06577	1.6
70.74294	1.3
70.74651	1.9
72.08134	1.3
74.06061	1.4
77.00896	2.6
82.99881	0.9
84.04489	1.7
84.08137	7.1
85.01376	1.1
91.05421	1.0
99.02951	3.6
101.00893	4.9
103.02444	4.3
109.01407	1.6
109.06521	2.1
111.21126	0.9
117.03988	26.8
119.01913	30.3
119.20698	0.9
120.01977	1.4
121.03479	2.1
127.02395	10.4
129.10229	2.3
135.05025	24.7
137.02953	10.8
140.05563	1.4
143.01910	4.2
145.03455	100.0
146.03638	3.2
147.01352	2.3
147.04990	1.8
157.07086	4.1
159.05022	8.6
161.02948	7.1
163.04520	36.6
165.02470	1.2
167.05556	1.2
168.05061	3.8
169.03455	2.1
169.07085	1.6
171.01352	5.8
171.05002	4.4
175.08130	7.6
177.05988	1.1
183.04987	1.9
185.02979	1.9
185.06589	23.4
186.06346	1.0
187.04506	8.5
187.08197	1.0
189.02432	13.7
189.06111	2.1
195.05016	15.3
196.05171	1.0
197.02936	1.8
201.06032	10.9
203.04037	1.3
203.07620	4.3
205.05626	2.7
207.03542	7.7
207.07190	1.1
208.08138	0.9
209.02914	0.9
211.04532	11.3
213.02579	2.2
213.06068	36.6
214.06226	2.6
215.04012	7.3
221.02832	1.7
227.04013	3.9
229.05608	9.1
230.05406	0.8
231.03549	2.5
231.07027	2.0
233.01350	1.4
236.07634	1.7
237.02321	1.5
239.03999	15.3
240.04276	1.1
241.01915	1.9
246.41766	0.9
247.06618	3.4
251.02347	1.9
255.03479	3.8
257.02579	1.6
257.05057	17.6
258.05276	1.3
259.02933	3.2
261.01727	0.8
262.14413	1.0
265.01868	2.4
266.82434	0.9
273.04529	2.2
275.02505	2.0
275.06058	2.3
278.99725	1.1
280.06412	0.9
283.02985	6.6
291.05667	1.6
301.04016	13.2
303.02008	4.4
309.13931	0.9
319.05078	2.5
327.01981	3.7
345.03128	4.8
371.00983	7.6
389.01974	7.2
398.07291	1.1
407.03076	3.2
407.19907	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	407.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15322	3.9
55.05502	15.8
57.07057	10.1
67.05485	20.4
69.07074	5.8
71.04961	7.2
71.08622	4.9
71.53365	8.0
78.44230	3.9
79.01676	3.8
79.05493	9.7
80.06380	4.6
81.07049	21.9
83.08607	5.9
85.58284	5.0
88.76138	4.6
89.06017	15.7
91.05462	20.2
93.07051	22.8
95.08614	38.0
105.07024	21.2
107.08573	17.8
109.06507	100.0
109.10137	17.3
113.00028	22.1
117.07001	5.9
119.08582	47.3
121.10134	18.2
123.11678	8.8
129.07005	8.7
131.08553	17.0
133.08604	7.3
133.10123	19.5
135.08038	6.3
135.11688	7.7
142.07751	12.6
143.08562	15.8
145.10127	15.4
147.11679	9.2
155.08607	6.6
157.10130	37.0
158.10901	6.4
159.11674	15.6
169.02605	21.2
169.10112	12.6
171.11681	12.7
173.13292	20.1
175.14861	11.0
181.10132	5.5
183.11671	17.9
185.13240	5.1
187.14775	6.6
189.09100	5.0
195.11678	11.0
201.12674	7.2
209.13240	12.6
211.14786	5.2
213.12704	6.2
249.16357	5.3
283.20602	6.1
317.59149	5.7
407.29144	17.7
407.36957	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	407.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
53.94567	3.0
55.05495	10.8
65.03927	4.6
67.05507	17.2
69.07046	11.6
69.49580	20.9
71.04984	7.0
79.05463	15.9
81.07043	21.4
83.08624	3.8
85.06540	4.2
87.48024	3.4
90.92207	3.0
91.05497	23.5
93.07038	28.1
95.04933	8.7
95.08604	37.0
97.06494	5.1
98.20699	3.3
105.07037	44.5
107.08601	43.8
109.06516	100.0
109.10172	16.1
111.08088	9.0
117.07013	12.1
119.08571	48.4
120.44659	3.3
121.10148	21.5
123.08059	11.2
123.11681	4.3
128.06172	3.6
129.07031	6.4
130.07782	3.9
131.08580	24.3
133.10133	31.7
135.08037	10.0
135.11700	11.7
137.09590	7.3
142.07750	11.4
142.22356	3.0
143.08580	20.5
144.09354	3.9
145.10107	28.9
147.11693	7.5
149.09622	5.2
149.13284	3.6
155.08543	8.3
156.09370	7.3
157.10138	23.2
159.11710	21.7
161.09619	8.7
161.13248	5.9
169.10127	12.0
171.11726	17.3
173.13280	15.8
175.11234	6.0
175.14799	14.6
180.09251	3.5
181.10048	5.9
182.10826	4.3
183.11708	14.0
185.13225	10.0
187.14792	11.1
193.10176	4.3
195.11668	8.9
196.12329	5.1
197.13261	17.8
199.14813	7.1
201.12744	4.6
209.13179	7.5
211.14780	5.8
215.14256	4.1
217.15910	3.9
223.14780	7.5
225.16420	4.4
227.17998	3.3
239.18036	6.9
241.15771	3.8
291.21259	3.4
315.19357	4.4
333.14966	7.5
389.28278	6.1
391.77145	3.1
407.24750	4.6
407.29227	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	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78209	0.5
55.01854	2.2
55.05493	1.8
56.05032	6.3
57.03437	4.5
57.98777	0.9
58.99305	0.5
58.99586	10.6
61.01130	0.8
61.65846	0.6
67.05504	0.7
68.05003	2.0
69.07041	1.8
70.06600	0.7
72.08165	0.9
73.01119	1.6
74.00631	1.6
76.02226	22.2
76.03981	2.0
79.05485	4.2
80.05001	0.7
80.47790	0.5
81.07052	18.4
83.06084	1.9
84.04501	25.7
84.08141	0.8
85.01118	3.1
86.00655	5.0
86.09686	1.1
86.99040	5.7
87.02689	5.1
88.02202	2.0
90.89810	0.5
93.07024	0.6
94.06555	0.9
95.08616	2.9
96.08064	0.6
97.01096	1.1
97.06511	3.0
98.09689	12.0
98.20695	1.8
99.05544	0.8
99.08080	5.8
102.05540	5.0
105.07007	1.5
110.09646	2.0
111.08047	0.7
112.03942	2.8
113.04228	5.8
114.03702	0.8
115.02121	0.7
115.05769	1.7
116.01674	20.3
122.09640	1.7
123.08054	0.8
123.10441	0.6
127.05795	1.1
129.06581	3.3
129.07390	0.8
130.05002	8.9
130.05881	1.0
130.06863	4.2
130.08627	1.9
135.55589	0.6
139.05754	1.5
142.03229	1.8
142.04962	0.7
142.28448	0.5
143.02710	1.1
144.01138	8.9
145.05951	1.2
156.08409	19.0
156.10181	12.2
157.06825	9.3
162.02203	22.6
167.07022	1.5
170.02745	0.7
174.09482	13.2
175.09842	0.9
179.04852	10.3
188.03766	0.6
189.03297	1.1
209.11658	1.6
210.11252	2.4
215.04829	0.8
216.06885	6.7
229.99806	0.9
233.05952	2.6
242.08400	1.2
245.05949	1.7
259.11111	100.0
260.09097	0.8
260.11603	3.1
277.12274	0.9
285.12674	1.2
313.12155	3.3
331.13193	6.2
343.13358	0.7
388.15198	1.0
389.13779	0.6
406.16296	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	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.05505	2.5
56.05017	4.8
57.03427	6.5
57.07066	2.7
58.99582	10.2
67.05493	12.8
69.03390	3.4
69.07085	2.4
70.06587	3.6
70.97834	5.3
71.04979	8.6
76.02228	17.7
78.18529	2.2
78.29256	2.3
79.05502	14.8
81.07069	17.2
83.04971	4.0
84.04505	19.4
84.08144	2.0
85.01131	2.5
85.02904	14.6
85.06544	62.3
86.00654	2.9
86.09695	4.5
86.99038	5.6
87.02708	2.9
91.05452	5.7
93.07031	11.6
95.04995	1.9
95.08607	3.9
97.02903	3.3
98.09698	6.9
99.08066	6.0
102.05544	3.2
105.07018	8.5
107.04932	3.0
107.08577	11.1
109.06495	4.4
111.04439	6.1
112.04021	3.7
113.04202	3.5
116.01671	14.9
117.07030	2.3
119.08569	10.0
121.06490	5.0
121.10137	7.8
125.05934	3.1
127.03920	2.9
130.04999	6.7
130.08609	3.2
131.08575	37.3
135.11719	3.2
137.09592	2.8
139.05801	2.1
143.07028	2.2
144.01096	7.0
145.04964	2.7
145.06596	2.9
145.10139	14.7
147.08055	4.1
149.09639	36.5
153.05402	2.5
156.08444	11.3
156.10133	8.2
157.06847	7.1
162.02209	19.1
163.11163	11.9
165.09077	5.4
167.10674	16.4
173.09644	3.7
174.09457	9.1
179.04868	8.7
191.10657	46.4
195.46310	2.2
207.06453	2.1
209.11725	57.9
216.06955	4.0
227.12776	100.0
259.11124	70.8
313.12204	5.0
331.13126	3.3
357.22327	2.1
379.05167	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	405.2633
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.02348	2.4
53.03946	8.6
55.01871	14.6
55.05270	2.2
55.05507	33.4
57.03445	9.4
57.07059	5.8
58.44804	1.6
59.04987	2.6
65.03938	4.5
67.05502	70.4
69.03427	24.7
69.07064	35.4
69.45216	5.2
69.45644	10.1
71.01343	2.1
71.04993	9.0
71.08622	2.4
73.02908	3.4
73.06548	2.3
79.05487	63.2
81.02986	2.8
81.03413	28.0
81.07051	71.4
83.04983	15.5
83.08607	14.9
84.89205	1.4
85.02898	10.7
85.06526	3.4
87.04440	1.6
91.05474	71.6
93.07037	70.7
93.07633	3.6
95.04958	16.5
95.08600	56.0
97.02900	12.0
97.06528	9.4
97.10160	6.4
99.04447	10.3
103.03923	2.1
103.05399	2.1
105.04462	1.9
105.07025	75.6
107.04948	10.7
107.08592	43.0
109.02860	6.1
109.06501	14.4
109.10149	22.9
111.04433	13.3
111.08057	4.7
115.05452	6.6
116.06194	1.6
117.07008	42.4
119.05011	1.7
119.08572	53.0
121.06499	11.0
121.10134	30.9
123.04440	4.0
123.08061	7.1
123.11699	9.1
125.09612	5.2
127.03914	5.0
128.06213	6.8
129.05463	4.7
129.07004	22.2
130.07748	1.9
131.08560	56.2
133.06502	9.3
133.10124	39.1
135.04399	1.7
135.08070	7.7
135.11679	20.9
137.05986	2.8
137.09607	5.6
141.06978	6.6
142.07785	5.3
143.08549	22.7
145.06500	6.2
145.10123	39.1
147.08041	9.0
147.11671	33.1
149.05968	2.8
149.09621	8.9
149.13251	10.1
151.07449	2.8
151.11145	2.7
153.07036	2.4
153.09137	2.6
155.08572	11.0
157.06499	4.1
157.10117	25.2
159.08055	8.4
159.11690	36.8
161.09570	10.0
161.13226	16.7
163.07486	2.7
163.11217	4.7
163.14780	4.3
165.07027	3.1
165.09146	1.8
167.07098	2.0
167.08528	4.4
168.09261	1.8
169.10071	11.5
171.08006	5.7
171.11687	18.9
173.09612	6.3
173.13242	18.9
175.07533	2.0
175.11159	7.4
175.14845	7.3
177.12720	4.7
179.08615	2.6
181.10085	5.4
183.08029	3.1
183.11659	10.9
185.09618	5.7
185.13268	13.2
187.11172	6.5
187.14874	10.2
189.09109	1.8
189.12772	3.4
189.16396	2.3
191.10664	2.8
191.14365	2.3
193.10150	1.8
195.11731	4.8
197.09586	3.6
197.13289	8.5
199.11147	5.5
199.14743	9.7
201.12762	3.8
201.16353	3.5
203.14342	3.7
205.12198	2.4
207.11801	1.7
207.13806	1.8
209.13254	5.9
209.15295	1.9
211.11139	3.3
211.14845	3.6
212.12068	2.0
213.12770	5.1
213.16275	3.6
215.14319	3.6
217.12166	2.5
221.15439	2.1
223.14954	3.7
225.16402	2.5
227.14415	3.5
239.14348	2.7
239.17982	2.0
241.19453	4.9
253.19687	2.4
255.21103	2.2
257.15366	1.9
259.20560	8.4
261.22098	3.7
271.17819	1.5
271.20331	7.4
273.18527	1.8
273.22095	6.6
275.20178	2.5
275.23526	2.1
277.21613	8.2
279.23431	1.7
283.20630	3.2
285.22119	8.4
289.21475	8.9
291.23148	6.4
297.22156	2.8
299.23520	2.5
301.21689	13.7
303.23105	9.4
305.22244	1.7
309.22083	2.8
313.21567	5.9
315.23154	12.1
317.21136	2.2
317.24664	2.5
319.22668	9.1
323.23734	5.8
327.23199	8.1
331.22693	6.2
333.22086	1.7
339.23053	1.8
341.24722	11.0
345.24390	9.5
351.23108	14.0
357.24069	2.5
359.25739	3.8
369.24234	52.5
387.25278	44.0
388.25232	1.9
405.26321	100.0
406.26648	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	406.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01880	9.8
56.05033	5.0
57.03434	8.7
60.04528	10.3
61.02911	9.0
66.29968	4.7
69.03424	34.3
70.06589	25.0
70.21810	11.6
70.22234	6.8
71.05003	7.4
72.08169	11.2
73.02902	8.3
81.03415	37.9
84.04493	15.1
84.08140	19.6
85.02899	100.0
86.09688	14.7
87.00825	31.2
97.02896	37.4
99.04456	14.8
102.05500	5.0
103.03941	6.4
105.01869	37.5
108.04469	6.5
109.02875	87.8
110.07178	8.6
121.06474	4.9
127.02239	5.4
127.03918	68.0
129.01866	7.9
129.10226	7.4
130.05023	4.4
133.02849	6.1
136.06152	9.5
137.06009	6.7
140.80284	4.1
141.05469	50.4
145.04979	38.1
147.02942	6.1
147.04330	4.8
155.01601	49.8
159.02885	20.6
159.09152	4.9
165.05489	14.4
167.07048	8.7
177.05330	5.1
189.03981	10.4
203.07014	8.2
207.06482	13.2
227.03737	19.0
231.04742	9.4
231.06816	7.0
244.06348	12.6
249.07632	12.0
259.11176	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	405.2635
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03953	13.5
55.01861	19.1
55.05505	43.5
57.03432	13.5
61.15134	5.6
61.73502	5.4
65.07645	6.5
67.05506	79.1
69.03429	60.1
69.07073	49.5
70.75390	5.8
71.01340	7.4
71.04989	10.1
71.58936	8.6
79.05486	86.0
81.03404	34.1
81.07056	95.4
83.04977	20.6
83.08603	19.0
85.02883	19.7
85.06519	8.5
86.39887	5.9
91.05489	92.6
93.07047	90.2
95.04967	23.7
95.08607	58.1
96.73446	7.1
97.02886	21.7
97.06522	9.8
97.10120	8.2
105.07021	94.5
107.04980	18.9
107.08595	57.7
107.90184	5.9
109.02905	9.5
109.06490	11.8
109.10172	33.6
111.04433	12.6
111.08057	8.7
115.05461	8.4
117.07018	52.5
119.08585	72.0
121.06501	15.9
121.10152	44.3
123.08048	14.1
123.11692	13.5
127.03912	16.1
128.06262	6.4
129.06982	33.7
131.08568	61.4
133.06430	11.2
133.10123	63.3
135.08084	10.3
135.11685	23.1
137.09644	9.1
141.06970	10.4
142.07874	6.0
143.08549	32.6
145.06444	10.9
145.10123	49.9
147.08035	12.1
147.10667	5.6
147.11655	34.9
149.09641	14.0
149.13191	8.2
152.13672	6.0
155.08539	14.4
157.10080	30.9
159.08060	15.0
159.11681	39.2
161.09599	9.6
161.13271	14.1
163.11201	6.3
163.14772	5.9
169.10126	18.0
171.08015	9.8
171.11690	26.0
173.13293	25.7
175.11176	14.4
175.14859	10.4
177.12682	9.0
185.13286	15.9
187.14774	11.9
189.16319	7.2
197.09628	7.5
197.13289	10.7
199.14871	13.3
201.12576	8.5
217.15910	6.7
271.20535	10.3
273.21979	13.5
301.21628	14.4
303.23145	8.2
307.28250	14.0
313.21704	8.2
315.22974	9.0
319.22702	11.3
327.23117	12.2
327.36237	6.7
341.24640	19.6
345.24249	13.6
351.23163	14.5
359.25876	8.4
369.24200	67.8
387.25272	50.2
405.26306	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68916	1.0
54.39594	1.0
55.01863	4.7
55.05510	9.9
55.54393	1.0
57.03432	4.1
57.07066	5.1
67.05495	7.8
69.07067	10.0
69.87353	4.1
79.05489	4.3
81.07057	7.6
81.77305	1.0
83.08619	11.5
91.05451	2.2
93.07058	5.7
95.04987	1.0
95.08603	6.8
97.06522	2.4
97.10172	5.0
105.07042	1.3
107.08582	3.4
109.10175	2.6
111.08078	1.5
111.11710	1.8
113.00013	100.0
119.08608	1.8
121.10115	3.9
123.11746	1.1
131.01019	1.0
133.10205	1.5
135.11699	3.6
145.10187	1.7
149.13248	1.7
154.02612	1.5
161.13177	1.2
166.30711	1.1
169.02606	95.3
201.12801	1.8
218.42168	1.1
219.21037	3.0
237.22076	6.6
405.31485	1.9
405.37225	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	405.2633
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03933	13.5
55.01861	15.0
55.05515	33.6
57.03426	15.0
57.07076	9.6
62.58218	4.0
64.80939	3.3
65.03934	10.3
65.24896	3.2
67.05499	89.4
67.75917	3.7
69.03430	33.7
69.07064	36.7
71.01346	4.3
71.04978	13.1
71.07783	8.2
79.05486	66.6
81.03410	34.9
81.06597	6.5
81.07049	100.0
83.04979	22.9
83.08611	17.7
85.02892	12.1
87.04449	3.5
89.53045	4.0
91.05474	89.0
93.07041	88.7
95.04972	20.3
95.08601	73.5
97.02876	13.4
97.06532	13.2
97.10159	6.6
99.04448	9.2
99.08093	4.8
105.07027	82.7
106.53772	3.7
107.04931	10.9
107.08593	55.0
107.45142	3.6
109.02896	10.0
109.06511	16.4
109.10148	26.1
110.02708	3.2
111.04426	19.2
115.05448	8.0
117.07025	41.8
119.04879	4.0
119.08572	71.0
121.06527	8.6
121.10140	34.4
123.04448	6.7
123.08060	10.9
123.11677	8.8
125.09605	4.6
127.03913	12.9
128.06250	7.9
129.05501	8.4
129.07011	27.7
129.93250	4.1
131.08553	62.5
133.06487	16.3
133.10124	43.6
135.08025	17.4
135.11647	22.9
137.05942	3.7
137.09619	9.1
141.06973	7.9
142.07814	7.2
143.08554	26.2
145.06473	9.2
145.10121	50.9
147.08043	9.9
147.11682	41.4
149.06012	4.4
149.09595	9.5
149.13284	16.1
155.08505	10.4
157.06419	6.7
157.10129	26.9
159.08052	8.3
159.11691	34.9
161.05962	4.8
161.09607	13.9
161.13229	15.9
163.11194	10.4
163.14751	3.8
167.08560	4.5
169.10118	9.6
171.08012	8.6
171.11655	23.6
173.09625	6.0
173.13229	28.7
175.11214	11.3
175.14900	6.2
177.12776	3.9
183.11697	9.5
185.13237	14.2
187.11191	7.0
187.14851	9.9
189.12776	7.9
197.13246	8.9
199.14813	8.7
201.12849	4.8
207.11710	5.4
209.13292	7.0
213.12926	5.7
227.14281	5.0
229.15916	4.1
232.43048	3.5
233.15303	4.2
241.19437	4.2
243.21169	4.5
261.22159	6.3
271.20541	6.4
273.22067	7.8
275.20123	4.7
277.21619	12.8
289.21735	10.1
291.23267	5.1
297.22244	4.1
301.21628	19.1
303.23129	7.8
313.21661	7.4
315.23108	9.3
319.22681	12.4
327.23218	8.5
335.88486	3.6
341.24567	9.6
345.24283	5.8
351.23175	11.5
357.23886	5.0
369.24243	43.4
387.25412	37.9
405.26315	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	405.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.05513	5.2
56.05024	6.1
60.04531	1.8
60.68530	1.7
67.05495	2.4
69.03423	2.6
69.07051	6.9
70.06596	24.9
71.50725	1.8
71.51115	1.8
72.08144	19.1
74.06056	4.7
78.04684	2.0
79.05507	9.9
81.03386	2.4
81.07048	2.5
83.06101	2.5
84.04501	8.6
84.08142	23.4
85.02879	2.9
86.09704	28.6
86.68105	1.8
87.05566	2.8
88.04015	2.2
91.05481	5.7
95.04958	2.7
97.02890	3.2
102.05504	2.9
103.05486	3.3
104.05325	5.7
105.07035	2.8
107.04939	12.2
109.02885	2.0
110.07151	8.6
115.05450	2.8
115.08640	2.0
116.07090	3.3
117.07068	2.2
119.04881	2.7
119.08562	1.7
120.08106	21.0
121.06598	2.6
123.04434	7.0
124.05179	4.5
127.08684	1.8
129.10240	14.4
130.06523	5.3
131.04936	2.8
135.04399	2.8
136.07565	5.5
137.05945	7.5
146.05957	3.2
146.11664	2.2
147.04399	1.9
151.03941	1.9
151.07530	2.3
152.04630	2.1
152.07054	4.3
153.05502	5.2
159.09174	4.7
161.05966	10.9
163.07494	3.1
167.07037	100.0
173.12869	4.9
174.06755	1.6
175.07504	6.0
177.05522	3.8
179.07086	2.0
188.07013	3.8
191.07005	5.0
194.07288	2.4
195.07997	2.1
201.12349	3.6
203.07039	7.2
205.06503	1.7
205.09706	2.4
221.08086	3.6
222.03969	2.7
233.08031	3.6
235.07408	3.6
239.08067	3.7
240.08041	2.3
245.12935	3.1
249.05222	2.2
253.09738	3.4
257.09094	2.3
259.11017	2.0
263.07019	2.8
267.07605	2.0
274.11826	2.3
277.08554	2.2
280.07532	1.9
281.09543	3.2
283.09610	2.3
295.09665	4.3
299.10040	4.7
300.10126	1.9
309.08633	6.8
315.12219	6.7
327.09674	6.5
331.09177	1.8
337.07837	2.1
339.12241	9.0
345.10864	7.7
355.09073	3.7
357.13403	4.0
373.10257	14.6
375.14374	6.1
405.17746	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	405.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	9.4
53.13861	7.3
55.01869	9.6
55.05508	79.5
57.03412	10.2
57.07070	13.5
58.57671	7.6
58.61148	6.8
59.04979	12.2
61.02906	15.3
65.03944	8.6
67.05485	18.3
69.03424	100.0
69.07065	48.3
70.06582	36.0
71.08620	63.2
71.45654	14.7
72.08158	10.1
79.05460	10.0
81.03389	46.7
81.07059	29.7
83.04985	42.6
83.08620	98.9
84.04501	10.3
84.08124	22.5
85.02896	30.2
86.09693	42.8
87.00813	15.4
87.04437	8.5
91.05476	26.0
93.03391	11.2
93.07036	16.0
95.04965	18.3
95.08602	20.8
97.02884	37.2
97.10159	19.6
99.04442	28.1
99.08100	51.3
100.11263	19.5
102.92747	8.9
105.07050	11.3
108.08155	7.9
109.02890	20.9
111.04442	91.0
119.04987	13.1
119.08608	11.1
120.08081	29.4
121.06541	14.1
122.64702	7.5
127.03918	30.7
129.05470	35.9
129.10298	13.7
133.10126	7.8
136.07614	9.7
137.05975	40.3
139.14876	9.2
147.04424	14.9
147.06544	18.8
149.06032	8.9
155.14241	13.8
157.15901	12.1
159.02892	13.0
167.07085	11.0
171.84296	8.3
177.05423	25.6
181.04915	14.4
215.05424	13.1
231.05051	22.3
233.06488	17.2
239.32054	8.9
259.08090	25.8
263.68713	10.7
329.08954	7.9
331.13882	12.0
345.13098	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	404.8997
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04523	2.1
63.49478	1.5
68.75203	1.4
70.06581	5.4
70.24986	5.5
72.08149	9.7
73.97574	1.4
74.06079	1.5
84.04500	3.5
84.08135	12.0
86.09698	5.5
94.93008	15.5
116.07075	1.8
129.10234	5.7
130.08632	4.9
137.05989	8.5
147.11240	1.9
150.05490	3.1
164.93535	2.2
174.89603	20.7
178.95059	1.4
184.78400	1.6
190.91147	1.6
196.87567	1.4
201.32516	1.5
201.63217	1.7
202.89087	100.0
212.85205	38.6
216.13358	1.7
216.90712	2.5
218.92253	2.7
232.92245	8.0
244.90170	5.4
246.88055	10.3
248.89778	2.0
252.97186	5.7
253.97597	5.2
268.94589	25.2
268.97247	2.8
306.90170	41.0
307.90146	1.6
404.25516	3.1
405.15845	1.9
405.20935	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	404.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25296	1.2
56.96566	15.6
57.51648	1.0
57.52296	1.0
59.27466	1.2
61.92133	1.1
70.06565	1.5
71.60354	2.2
71.95255	2.8
81.07057	1.0
86.09683	1.1
94.04160	1.5
95.08601	1.4
98.97575	54.8
116.98614	67.3
122.03642	4.5
134.99651	52.7
135.00676	2.7
137.05974	51.7
138.06325	1.4
140.00223	5.4
153.00743	7.4
158.01282	7.4
176.07030	2.8
179.00089	2.5
197.01254	3.3
198.01997	1.7
208.10280	1.2
211.02727	1.8
220.00369	2.2
224.09619	2.5
226.11096	14.8
235.02759	48.3
236.02925	1.5
238.01436	2.9
244.12184	10.9
253.03818	100.0
254.04181	2.9
267.13837	2.3
268.12296	5.2
271.04941	6.3
276.05423	23.2
280.12460	1.7
329.13193	1.3
339.01450	1.3
344.15347	7.9
362.16501	2.5
383.52930	1.5
404.17441	76.9
405.17618	2.3
429.64719	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	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
53.26629	0.4
55.01871	0.7
55.05510	0.5
56.05028	1.0
57.03435	0.4
60.04513	0.6
61.02925	0.6
62.17464	0.5
63.60481	0.4
65.03937	2.4
65.92985	0.4
69.03425	4.9
69.07066	0.9
70.06591	6.1
71.01920	0.5
71.04985	1.0
71.59405	0.9
72.08155	4.1
73.08469	0.9
74.06073	0.9
81.03418	2.9
83.01344	0.5
83.04996	0.5
84.04104	0.5
84.04513	4.4
84.08134	6.0
85.02896	4.4
86.09697	8.3
87.04475	0.7
87.10053	0.5
89.03919	0.9
91.05453	0.9
92.04970	2.5
93.07001	0.4
95.04963	0.6
97.02888	8.1
99.04435	2.1
101.07135	0.5
102.05539	1.2
105.01862	0.8
107.04966	0.7
109.02883	3.8
110.06036	67.1
111.04451	1.3
111.06371	1.5
115.08749	0.6
116.07085	0.7
117.03317	0.7
119.04948	0.8
120.08067	2.0
121.02933	0.7
121.06477	0.8
123.04436	1.2
124.03970	0.7
127.03924	6.3
127.08640	0.4
129.10229	3.2
134.06041	0.7
135.04414	1.3
136.07553	1.7
137.05988	0.6
138.05493	100.0
139.03946	0.8
139.05821	1.8
144.06589	1.3
145.02753	0.8
147.04332	0.8
148.61346	0.4
149.02345	0.9
152.06975	0.5
157.13252	0.5
157.89743	0.4
159.09145	0.5
162.07631	1.3
163.03902	5.1
175.03941	1.1
177.05426	1.2
180.06543	1.0
195.02884	0.6
207.06480	1.6
215.13922	1.0
218.08429	0.4
228.06503	0.9
234.07605	1.1
240.13336	0.5
241.77362	0.5
243.13177	0.8
246.07632	2.0
257.09586	0.8
264.08658	57.9
265.08994	1.3
282.09741	5.9
386.14166	0.4
404.15601	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	404.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
56.05017	0.9
62.55927	0.6
65.03936	1.3
67.02271	0.7
69.03423	1.3
69.07047	2.0
70.06585	6.7
70.07809	3.3
72.08131	2.2
77.03910	0.7
78.04703	0.9
79.05495	4.3
81.03414	0.8
81.07042	2.4
84.04488	3.0
84.08140	3.1
85.02885	1.4
86.09698	6.7
88.04013	0.9
89.03893	1.0
90.62708	0.7
91.05479	9.3
93.07048	1.1
95.04954	2.3
97.02891	1.0
103.05477	2.5
104.06255	1.4
105.03358	1.2
105.07030	1.0
106.04181	0.7
107.04945	10.2
107.08554	0.9
109.06470	1.3
110.07122	1.5
117.03384	1.9
118.04150	0.9
119.04944	6.9
119.08545	1.0
120.08086	2.9
121.02862	0.7
121.06497	4.1
123.04397	2.0
127.03956	1.2
129.10226	2.7
130.05040	0.8
131.04906	5.1
132.05701	4.4
133.02824	1.7
133.06470	1.4
134.03612	1.7
134.05989	0.9
135.04402	7.7
136.05183	0.9
137.05956	7.4
141.06981	1.0
144.08101	0.8
145.02818	1.6
147.04414	16.5
148.05113	0.7
149.05989	2.2
151.03903	2.4
151.07555	3.1
153.05466	1.9
154.06129	1.0
159.04364	2.0
160.05205	4.7
161.05933	1.1
162.03210	1.5
163.03880	2.8
164.04678	0.8
165.05476	5.2
165.07008	4.1
166.06163	0.6
166.07730	0.7
167.03392	1.1
167.07048	12.1
167.08411	1.5
169.43579	0.7
175.03891	4.3
175.07552	1.0
176.04599	1.1
177.05481	7.2
177.06967	1.0
178.06062	0.9
178.07758	1.7
179.03418	1.3
179.07011	2.8
179.08540	3.9
181.04958	6.4
181.06499	2.5
181.08551	1.1
182.05672	2.0
182.07288	2.7
183.08063	0.8
187.03954	1.9
188.04698	6.0
189.06998	1.6
189.12727	1.3
190.02637	1.4
191.07086	1.1
192.04190	1.7
193.04967	6.7
193.06493	2.5
194.05742	7.9
194.07286	0.9
195.06386	1.0
195.08078	2.4
197.06033	1.9
197.08073	4.7
197.09634	1.7
201.05417	1.2
202.05896	1.0
205.04927	13.4
205.06471	0.9
206.05681	7.4
206.07347	1.3
207.06502	12.6
207.08159	4.1
207.13817	0.7
208.06543	0.8
208.08687	1.0
209.06107	1.6
210.06749	7.7
211.07411	2.0
219.06421	1.3
221.04198	7.9
221.06081	3.7
222.06723	1.8
223.07607	1.9
224.08334	2.3
225.07455	2.2
225.09283	8.7
226.09818	0.8
227.07103	0.9
234.06786	2.0
235.07501	3.8
236.08249	2.1
237.05394	1.7
237.07552	2.2
238.06223	5.6
238.08412	3.0
239.07059	2.6
241.08427	0.8
247.07561	0.8
249.05414	2.6
249.07664	1.0
251.07030	2.2
251.10712	0.8
252.07751	3.0
253.08809	12.0
255.06610	2.6
257.11700	1.0
262.06348	0.9
263.07214	4.4
264.07706	1.4
265.05038	1.3
265.08664	0.7
266.05759	2.6
267.06531	2.2
269.08124	3.3
270.08823	2.8
280.07278	2.4
281.08069	15.7
282.08734	2.3
283.06042	3.0
283.09464	1.2
284.10394	1.3
285.11218	9.4
286.11844	1.3
291.06552	1.5
294.05273	1.6
295.09705	3.3
296.10388	2.9
298.08298	6.6
299.09283	3.2
301.10709	1.1
308.06711	1.8
309.07504	6.0
310.08469	1.8
311.09979	0.8
312.10089	1.2
313.10715	12.5
314.10913	0.7
323.09161	11.9
324.09677	1.4
326.07874	2.2
326.12088	0.7
327.12521	4.8
329.10248	2.1
340.09650	1.6
341.10178	35.5
342.10587	2.0
345.10776	1.1
355.11795	5.0
372.12631	2.1
373.12891	16.9
374.13202	1.5
404.17017	100.0
405.17355	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.10258	0.8
55.01856	1.6
55.05498	1.5
56.05036	6.6
57.03419	1.3
59.58977	0.8
60.04517	1.7
61.01139	2.2
61.02931	1.2
69.03409	5.4
69.07069	2.4
69.38167	8.2
70.06592	11.7
71.06184	0.8
71.06918	1.0
72.08157	8.5
73.02910	1.4
74.06069	4.4
77.03919	1.6
79.05491	1.2
81.03403	3.6
81.07053	0.9
82.06575	1.2
84.04493	9.8
84.08147	9.6
85.02905	7.9
85.08445	1.0
86.09703	23.1
87.00818	2.0
87.05596	1.5
87.10036	3.4
91.05475	19.2
92.05846	1.0
93.07043	1.8
95.08600	2.2
96.04488	3.2
96.08121	2.4
97.02872	2.8
97.05268	1.9
97.06544	1.1
99.04442	1.8
100.07594	1.4
102.05544	8.1
103.05442	1.2
104.05313	8.3
105.03350	1.2
107.04945	1.5
109.02861	2.1
110.05341	1.1
110.06013	6.1
110.07151	2.8
110.09669	4.0
111.08078	1.3
116.07034	1.0
118.04152	1.6
119.04931	29.0
120.05254	1.0
120.08098	5.8
121.06503	1.4
126.09141	7.2
127.03919	3.8
128.10736	0.9
129.10213	5.8
131.04880	0.9
132.10153	1.1
132.26082	0.8
135.04459	1.0
136.07564	2.7
137.05957	1.3
138.09137	18.6
143.11797	1.6
145.02870	1.3
145.04942	2.6
146.06331	3.0
147.04395	24.7
148.04799	2.0
149.02304	2.2
149.04573	0.9
152.07039	3.0
153.05457	1.5
156.10191	81.5
157.03947	1.6
157.10550	1.8
157.13382	1.2
158.13701	1.4
159.02972	1.2
161.05946	1.5
164.04749	2.2
168.10159	1.0
173.12901	1.7
174.05862	4.0
175.03894	41.6
177.05449	1.3
179.07066	2.9
180.10147	1.1
185.09221	1.9
185.12840	1.8
187.10750	1.0
187.14311	1.2
188.14658	1.1
192.04176	12.2
198.11221	2.4
201.12457	1.1
203.06812	1.1
205.49190	0.8
207.06516	100.0
208.06935	1.3
221.07893	1.2
225.07574	31.8
263.14343	1.2
264.09543	0.9
264.12128	1.1
303.10132	1.3
372.37442	0.9
386.13983	1.1
404.15607	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	403.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05509	6.2
56.05030	3.5
57.05816	0.8
58.06583	0.6
60.04520	3.6
61.01133	0.5
67.05508	1.0
69.03432	1.3
69.07066	6.1
70.02961	0.8
70.06592	16.6
71.06925	1.2
71.57470	0.7
72.08154	100.0
73.08497	1.3
74.06075	4.8
79.05493	1.2
81.07087	0.7
82.06578	0.7
83.06092	0.7
84.04509	6.3
84.08139	11.1
85.02904	1.4
85.04020	0.6
85.08465	0.8
86.09704	70.3
87.05595	3.8
87.10036	2.2
88.04003	1.5
91.05463	2.0
93.07066	0.7
95.04983	0.9
95.08566	0.7
96.08080	0.4
97.02893	0.6
98.02360	0.4
99.04459	0.7
101.07133	2.2
102.05556	2.9
103.05450	1.1
104.05363	0.7
104.07096	6.0
104.07720	0.6
105.07042	0.5
106.06551	0.6
107.04961	4.8
108.05259	0.4
109.02902	0.5
109.10181	0.7
110.07177	2.5
112.08726	0.5
113.07117	0.8
113.10735	0.4
114.09153	3.2
115.08718	0.7
116.07074	0.8
119.04961	0.8
119.08544	0.4
120.06660	0.4
120.08099	6.2
121.06544	0.4
121.10161	0.5
123.04437	1.0
124.07609	0.5
125.05978	0.6
125.10744	0.7
127.03885	0.6
127.08662	0.4
128.10703	0.4
129.06633	1.1
129.10239	7.2
130.04993	0.9
130.06535	0.8
130.08702	0.4
130.10530	0.4
131.04999	0.4
132.08102	0.6
132.10265	0.5
134.05991	0.6
135.04408	3.6
136.07542	2.1
137.05975	1.5
137.09601	1.1
140.04707	0.4
141.06567	0.9
141.10207	1.0
143.11772	1.9
145.02898	0.4
145.06519	0.4
145.09781	1.7
146.11726	2.3
147.04402	1.8
147.07698	0.8
147.11276	0.6
152.07063	8.7
155.10641	1.5
155.11774	0.7
156.01292	0.4
159.09233	0.7
159.11290	19.5
160.00432	0.3
160.11575	0.4
161.06001	0.7
163.07541	0.4
163.11008	0.5
164.07074	0.4
167.07028	2.3
167.08228	0.5
167.31502	0.4
169.09729	0.5
169.13467	0.4
170.06056	0.7
171.11366	0.8
173.09236	0.9
173.12837	5.7
177.05440	1.7
183.11287	5.6
187.10776	9.4
187.14377	2.6
188.07188	0.5
189.12437	1.6
190.12567	0.4
197.12868	0.8
200.18393	0.5
201.05447	1.1
201.12344	7.5
203.13904	19.1
204.14270	0.5
206.08110	0.5
208.29453	0.4
209.08099	0.7
215.13916	2.0
226.11844	0.7
231.09933	0.7
237.15936	1.3
245.89644	0.4
252.08539	0.5
254.14883	0.4
255.17102	0.4
260.13907	0.4
282.18115	10.8
290.17044	2.3
300.15918	0.5
300.19211	1.0
355.11633	0.5
371.11218	0.7
373.12704	0.5
385.24216	0.7
404.09488	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	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
54.27515	0.7
54.42933	0.6
55.05488	1.4
56.05041	4.8
57.03429	0.8
60.04517	1.7
61.01138	2.6
61.02900	0.8
65.03937	1.0
67.05501	1.1
69.03423	3.3
69.07069	1.9
70.02959	0.7
70.06588	10.9
71.51186	0.9
72.08152	11.4
73.08481	2.1
74.06086	3.6
77.03924	1.0
79.05481	0.9
81.03411	2.8
81.07052	0.7
82.06574	1.2
83.06091	0.7
84.04507	9.3
84.08149	8.1
85.02908	7.4
86.09704	21.2
87.00822	1.7
87.05583	1.0
87.09560	0.6
87.10032	5.4
88.03991	1.0
91.05476	11.6
93.07042	1.5
93.72467	0.6
94.46381	0.7
95.04968	1.2
95.08598	0.9
96.04488	1.4
96.08115	1.7
97.02875	3.2
97.05266	0.9
98.06030	1.8
99.04474	1.0
101.07133	1.5
102.05542	7.9
103.05502	1.0
104.05335	5.9
105.03346	0.8
107.04939	1.4
109.02854	2.1
110.06044	3.9
110.07165	3.8
110.09669	2.3
111.08095	0.8
112.08710	0.8
116.07068	1.1
118.04133	1.0
119.04124	1.4
119.04943	20.1
120.08108	6.7
121.06493	1.1
122.06017	0.7
123.04416	0.8
124.07500	0.7
126.09149	4.6
127.03902	2.4
128.10735	1.0
129.10236	6.1
130.04994	0.8
131.08247	0.8
132.10234	1.4
135.04312	1.5
136.04770	0.8
136.07529	2.2
137.05989	1.4
138.09135	12.3
139.07495	0.7
143.11813	1.6
144.12189	1.0
145.02831	0.8
145.04958	1.4
146.06320	4.8
147.04416	21.2
148.04749	1.9
149.02313	0.9
152.07063	2.1
152.10635	0.9
153.07394	1.7
156.10201	60.6
157.03992	1.9
157.10573	1.3
159.02859	0.9
161.06039	1.5
164.04713	1.5
167.06995	1.3
167.08246	1.0
173.12877	1.5
174.05881	4.8
174.13211	1.4
175.03914	36.5
177.05394	1.7
179.07051	0.8
180.10269	1.0
185.09183	1.0
185.12770	1.1
187.14445	0.8
188.11110	0.7
188.14737	1.0
189.12346	0.9
192.04169	11.4
198.11391	1.0
201.12346	0.8
202.12642	0.8
203.07033	1.0
204.14314	0.8
207.06523	100.0
208.06870	2.2
213.08757	0.7
219.13387	1.2
225.07576	34.0
253.09016	0.8
303.10144	1.9
318.15457	0.9
372.11691	0.8
377.15054	0.7
404.15744	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	403.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
55.05513	7.7
56.05041	3.8
60.04520	1.5
65.67036	0.8
69.03423	1.1
69.07052	0.9
69.49710	1.2
69.50114	5.5
70.06593	15.5
72.08154	100.0
73.02868	0.7
73.08495	0.8
74.06067	1.5
79.05482	0.8
81.03432	1.3
82.06570	1.1
83.06098	1.3
84.04503	32.4
84.08141	10.1
85.02886	4.3
86.09707	29.6
87.05597	0.8
87.10036	0.8
88.04002	1.9
89.07132	1.5
90.05556	2.9
91.05495	1.3
95.08603	0.9
96.04510	3.9
97.02881	1.3
97.27099	0.8
98.20808	1.7
99.05531	0.8
101.07137	0.8
102.05542	21.6
104.07097	9.9
110.06022	5.0
110.07182	2.6
112.08714	1.9
113.07153	0.8
113.30923	0.7
115.08694	20.2
116.07084	3.6
120.04421	1.4
120.08074	2.3
123.04411	1.0
124.03969	1.7
128.07059	1.5
129.01797	1.6
129.06628	1.1
129.10255	5.5
130.05055	1.0
132.10205	7.8
135.04419	0.8
136.07596	1.2
137.05992	1.4
138.05519	9.1
138.09105	2.2
141.06569	1.6
143.08170	19.0
143.11806	4.6
144.06557	16.0
147.04350	0.9
147.07649	1.2
155.08176	4.0
156.06583	6.5
156.10152	1.2
157.13351	1.7
159.09279	0.8
162.07628	29.0
163.03877	1.4
163.07764	0.9
166.04999	6.5
167.07059	1.3
171.11284	2.3
173.09254	7.7
173.12917	1.0
175.10738	7.2
183.07643	2.9
183.11299	3.5
185.12849	1.2
195.07794	0.8
197.12842	10.4
199.18076	1.5
201.08720	8.5
201.10358	1.0
201.10699	1.2
201.12332	8.9
203.10207	0.8
203.13924	5.5
207.06488	1.0
209.09094	0.8
211.10622	1.5
213.16071	0.8
215.10255	3.4
219.09882	0.8
226.11980	1.2
227.01767	0.8
229.11908	2.3
237.08765	5.3
242.14980	6.6
243.13383	8.1
254.11461	2.4
255.09741	11.2
261.14453	21.5
264.08676	1.6
272.12402	7.7
282.14423	1.3
314.16867	0.8
332.18436	1.4
335.32526	0.9
358.08182	0.9
385.24194	1.1
402.70908	1.1
403.15668	1.2
403.22546	3.0
409.64944	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	403.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.3
55.05498	4.0
56.05033	3.8
57.59974	3.1
66.05292	2.7
67.05516	5.1
69.03421	10.9
69.07037	4.0
70.06595	18.6
70.29486	10.3
70.29899	6.2
72.08141	8.4
79.05481	6.7
84.04515	5.6
84.08139	10.4
84.89294	3.1
85.02908	9.8
86.09695	27.6
91.05483	7.8
95.08575	6.7
97.02879	5.0
103.05431	6.9
105.07023	3.7
107.04967	5.4
109.06553	4.6
111.04414	3.8
115.05430	4.3
117.07039	5.1
119.08585	4.9
120.08053	9.7
123.04447	4.1
127.03864	4.1
129.10223	7.1
130.05026	3.4
131.04836	4.6
136.07619	4.0
137.05969	7.1
145.06520	6.2
153.05452	9.3
153.06947	6.8
159.04413	3.8
161.05992	6.4
165.06973	11.8
167.07132	16.7
167.08383	6.3
168.05737	4.9
169.06448	4.9
173.05925	3.2
175.07530	3.6
176.06294	4.3
178.07715	6.0
179.08517	7.8
181.04953	19.7
181.06522	10.0
182.07057	5.8
183.08031	8.3
184.05185	4.5
185.05943	5.2
189.06972	9.1
190.07806	4.8
191.07007	5.5
191.08569	9.3
193.06491	7.3
194.07234	15.6
195.08118	18.4
196.05235	8.8
196.46034	3.3
197.05969	12.7
199.07533	6.0
203.06963	5.4
205.06496	10.9
205.08524	6.7
206.07310	10.8
207.08014	21.4
208.05214	3.6
208.08733	11.0
209.05992	5.9
209.09657	9.3
210.06755	7.4
211.07515	12.9
213.05554	7.5
217.06575	4.8
217.08563	5.7
218.07249	5.2
219.08038	17.5
220.05087	4.5
220.08749	5.1
221.05994	15.2
221.09746	7.6
222.06726	9.6
223.07484	12.2
224.08290	6.5
225.05511	5.6
225.09109	10.9
226.06206	7.6
227.06885	4.0
227.10791	3.9
228.07877	5.5
229.08572	7.4
229.50862	3.6
233.05962	8.5
234.06755	15.4
235.07533	33.7
236.08325	15.1
237.05418	7.4
237.09120	14.3
238.06247	5.4
239.07016	11.8
239.10628	6.5
240.07712	5.5
241.08612	9.8
243.10095	6.1
245.08104	4.8
246.08888	6.3
247.07523	17.0
248.08292	6.4
249.05380	9.1
249.09166	10.5
250.06206	12.9
251.07076	13.6
251.10835	4.9
252.07837	16.3
253.08554	11.2
254.09567	4.4
255.06503	8.4
255.10075	9.3
257.08075	14.3
259.09818	4.6
261.11258	9.7
262.06375	6.7
263.06979	12.7
264.07742	14.6
265.04782	4.2
265.08588	23.8
266.05713	5.5
266.09250	5.2
267.06573	5.6
267.10114	11.1
268.07019	6.9
269.08078	9.7
269.11438	3.9
270.08612	6.1
271.09625	12.2
275.06937	7.7
277.08505	9.9
279.06506	13.3
279.10059	14.3
280.07278	14.4
281.07977	20.0
282.08740	8.3
283.09677	12.9
284.10623	3.9
285.07532	8.7
285.11060	7.0
286.08234	9.4
286.11319	4.0
287.09161	14.8
291.06509	4.3
292.07214	13.4
293.08069	18.0
294.05289	4.3
294.08731	9.6
295.06390	4.5
295.09543	17.9
296.06973	3.8
296.10303	6.3
297.07748	6.4
297.11133	13.2
299.09357	4.6
299.12756	10.9
300.09811	8.5
301.07297	4.1
301.10580	5.2
306.08630	5.4
307.09705	15.6
309.07532	13.4
310.08234	4.1
311.09186	14.1
312.10141	6.2
313.10544	13.8
314.11368	5.2
315.12415	5.4
321.07422	5.3
323.09143	26.0
324.09903	6.5
325.07300	4.8
325.10568	16.5
327.12198	41.9
329.13818	7.6
335.09070	12.4
337.10602	8.8
338.07684	4.5
339.08740	5.9
339.12415	9.8
340.09271	6.1
343.11780	18.1
345.13187	14.7
352.09097	3.9
353.10074	16.4
354.10776	7.5
355.11865	26.9
357.13324	36.4
367.11707	14.4
373.12656	18.4
375.14346	100.0
376.14728	6.0
385.12799	68.0
386.12823	3.5
403.13904	77.7
404.14172	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	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01852	16.7
55.05497	10.3
57.03441	4.6
57.07076	59.4
62.99176	3.2
67.05497	16.4
69.03436	37.3
69.07063	16.3
71.04996	15.2
71.08618	37.6
71.58696	3.7
71.59209	5.1
73.02898	7.0
76.35501	3.5
77.00618	4.4
79.15056	3.6
81.03418	43.5
81.07050	26.8
83.08604	17.7
85.02897	10.1
85.10199	19.5
88.02203	5.1
91.05480	4.0
93.07091	7.2
95.08615	39.9
97.02888	69.2
97.10146	6.5
97.38911	4.0
97.57229	3.4
99.03849	7.0
99.04454	78.9
109.02876	40.7
109.10153	22.5
123.11669	7.7
127.03918	100.0
137.13263	5.4
139.04208	7.9
145.04939	5.7
239.23677	44.9
383.27991	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	403.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.2
55.05496	4.1
56.05032	3.3
57.03413	3.0
67.05521	3.8
69.03426	12.2
69.07056	4.8
70.06596	13.8
71.05006	2.7
72.08144	6.5
77.20942	2.5
77.53873	3.0
79.05494	6.8
81.03386	3.2
81.07047	4.2
84.04488	3.7
84.08147	8.6
85.02899	8.9
86.09703	41.5
91.05460	10.2
93.07069	4.5
95.04935	6.3
95.13220	2.5
97.02882	5.9
104.05298	3.5
104.82173	3.0
105.07021	4.0
106.45934	2.5
107.04966	10.0
110.07191	5.2
112.04577	2.9
114.52075	2.5
115.05441	3.6
117.07046	4.5
119.04933	3.0
120.08094	4.5
121.10163	3.2
127.03934	4.3
129.10249	3.5
131.04933	4.2
137.06003	4.8
144.05711	3.1
145.06474	6.3
151.03894	4.9
152.06256	5.9
153.05501	7.7
153.06992	6.2
157.06441	6.5
158.97383	3.2
161.05988	6.0
165.05667	5.0
165.06931	14.1
166.07741	3.2
167.07031	25.6
167.08316	5.6
168.05699	4.2
168.07176	3.2
169.06445	6.7
173.05977	3.8
175.07535	4.1
177.05556	3.9
177.07065	3.7
178.07768	8.5
179.08554	11.8
181.04939	7.6
181.06470	15.0
181.10088	3.2
182.07338	6.6
183.04433	4.1
183.08080	6.1
184.05196	4.5
185.05992	5.4
187.07353	2.8
189.05444	3.7
189.06987	9.9
190.07748	7.9
191.06984	5.0
191.08575	10.0
193.06526	6.4
193.08492	4.0
194.07260	12.4
195.08046	16.8
196.05220	5.7
196.08864	3.3
197.06061	12.6
198.06715	4.4
199.07675	3.5
201.05490	5.9
202.07837	4.8
203.06995	4.4
205.06537	15.3
205.08298	3.5
206.07324	7.7
207.08067	20.4
208.05235	3.7
208.08643	6.2
209.05978	10.4
209.09616	9.0
210.06770	8.1
211.07544	12.4
212.04668	3.6
213.05508	4.9
215.07126	4.0
218.07239	3.1
219.08098	25.4
220.05252	5.5
220.08775	6.7
221.06099	14.2
221.09697	6.9
222.06779	10.9
223.07498	16.6
223.11186	3.0
224.08356	10.3
225.09073	9.6
226.06256	8.8
227.07051	10.8
229.04956	5.2
229.08614	5.7
233.06041	8.0
234.06725	13.7
234.98965	7.9
235.07526	30.5
236.04695	5.6
236.08278	10.1
237.05515	9.3
237.09079	16.1
238.06258	9.9
239.06999	12.0
239.10715	5.9
240.07733	5.3
241.04922	3.9
241.08554	10.3
242.05685	4.2
245.06015	4.0
245.08156	6.6
246.06760	5.8
246.08994	6.6
247.07504	16.0
248.08289	6.1
249.05502	9.1
249.09103	10.4
250.06235	12.8
250.09630	2.8
251.07008	19.3
252.07790	8.9
253.04808	3.2
253.08652	15.0
254.05869	3.4
254.09317	5.1
255.06543	8.6
255.10172	9.6
256.07303	5.5
257.08105	12.4
259.09772	6.4
261.11237	7.5
262.06320	5.0
263.07016	18.0
264.07861	15.1
265.05118	5.5
265.08566	19.4
266.05725	3.9
266.09186	5.0
267.06366	4.5
267.10132	11.0
268.07245	4.3
269.08093	10.8
269.11548	6.4
270.08911	3.9
271.06067	3.3
271.09583	13.1
272.06781	4.6
273.11264	4.2
275.06989	5.6
276.07776	5.6
277.08560	14.5
278.09244	3.5
279.06485	12.2
279.10199	11.8
280.07321	11.6
281.08142	13.9
282.08685	4.9
283.06293	3.5
283.09637	12.0
285.07675	5.3
285.11264	8.4
286.08392	5.7
286.12250	3.5
287.09137	17.7
287.65421	2.7
289.08334	4.1
291.06619	5.2
292.07297	8.0
293.08228	18.2
294.08780	7.4
295.06500	5.2
295.09512	19.8
296.10196	4.1
297.07706	6.3
297.11230	11.5
299.09091	7.6
299.12793	11.3
300.09988	6.5
301.10422	3.6
305.07959	6.6
306.08853	4.7
307.09677	13.5
308.07034	4.7
309.07532	14.9
309.10895	5.8
310.08356	5.8
311.09152	13.2
312.09897	6.3
313.10651	9.4
317.06802	7.2
317.10123	4.2
321.07748	4.8
323.09171	21.4
324.09787	5.7
325.07123	6.2
325.10410	13.0
327.12173	43.8
329.13895	7.6
331.08444	3.2
334.08557	3.1
335.09146	11.4
337.07190	4.8
337.10593	12.5
339.12241	9.3
341.10123	5.9
343.11755	19.0
344.09314	2.8
345.13235	14.3
353.10074	22.0
354.11026	5.2
355.11774	25.8
357.13272	38.8
367.11728	15.4
371.11224	4.6
373.12820	17.2
375.14383	100.0
376.14325	3.5
385.12601	56.6
386.13248	5.0
403.13785	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.05511	12.4
57.07061	8.9
67.05501	13.0
69.07060	13.5
71.04984	7.4
71.57496	6.9
79.05491	20.6
81.03387	5.5
81.07060	36.6
91.05482	41.4
93.07043	37.2
95.04940	9.8
95.08599	32.5
97.02856	6.4
104.06033	5.0
105.07040	100.0
107.08604	36.3
109.06525	51.4
109.10133	17.0
109.43070	6.1
111.08079	7.2
115.05467	7.0
117.07042	27.2
119.08577	76.7
121.06504	7.2
121.10124	19.8
123.11669	7.0
125.09608	6.1
128.06233	10.5
129.06989	27.1
131.08575	52.3
133.10132	85.7
135.08011	13.2
135.11653	23.9
141.07024	10.8
142.07817	28.1
143.08563	48.2
144.09387	12.1
145.10121	80.1
147.08061	6.9
147.11664	12.9
149.09624	5.1
154.07816	7.5
155.08511	14.7
156.09352	22.2
157.10114	57.8
158.10846	12.4
159.11723	35.2
167.07083	4.6
167.08549	14.6
168.09323	8.5
169.10133	18.5
170.10847	10.8
171.11694	32.9
173.13293	34.3
175.14839	9.5
179.08543	14.1
181.10107	12.5
182.10910	7.9
183.11702	18.1
185.13278	21.1
187.14877	31.7
193.10101	9.1
194.10887	9.2
195.11743	19.4
197.13269	12.5
199.14777	16.2
202.65111	6.1
206.10880	11.9
207.11728	13.0
209.13173	29.5
211.14761	12.2
221.13214	15.1
222.13922	5.8
223.14864	10.5
235.14639	9.1
237.16351	6.3
239.17868	7.6
251.17967	5.7
265.19473	12.7
277.19495	6.9
336.19351	5.3
401.28201	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	401.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.2
56.05023	2.1
58.69830	0.9
60.04533	1.0
60.05645	10.4
68.05004	1.0
69.07053	2.1
70.06592	58.1
70.87123	2.5
71.06924	2.1
72.07761	1.3
72.08154	24.1
74.02443	1.0
74.06066	2.7
82.06593	1.0
83.06115	1.2
83.32317	0.9
84.04507	8.7
84.07651	1.0
84.08145	15.4
85.02898	2.1
86.06085	4.9
86.09705	100.0
87.05590	1.9
87.10048	1.6
88.03979	2.6
91.05460	0.9
95.06048	0.9
97.02887	1.5
101.07141	1.5
102.05543	4.2
107.04929	1.5
110.07160	3.4
112.08726	8.0
113.07124	2.0
114.05534	2.7
114.10290	1.4
115.08698	6.8
116.07091	15.3
127.08683	1.2
129.06679	1.3
129.10246	7.8
130.04987	1.2
130.08615	3.1
130.09752	5.0
133.09706	1.1
134.04536	0.9
136.06145	1.3
136.07518	1.1
140.07014	1.0
141.06557	1.3
143.11795	1.5
155.08148	1.4
156.11339	9.2
157.10878	1.2
157.13388	1.1
158.09265	12.1
159.07668	1.3
167.06987	1.0
169.13347	1.7
171.11365	0.9
171.14919	1.1
172.10788	1.2
173.09323	2.5
175.11899	24.1
182.56299	0.9
187.07152	1.8
187.10757	1.2
201.12276	0.9
227.13910	2.8
271.17633	9.9
383.14899	1.2
383.23840	1.7
399.07959	0.9
400.74130	1.1
401.24982	89.1
402.25323	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	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01860	7.2
55.05508	8.8
57.03431	6.9
57.07070	3.3
61.02923	7.5
61.61553	1.9
65.03938	3.4
67.00542	1.7
67.05505	17.0
68.46861	1.7
68.99783	7.4
69.03426	29.9
69.07069	26.7
70.06592	7.6
71.01363	2.0
71.04988	25.1
71.51545	3.2
72.08156	3.4
79.05495	19.2
81.03417	22.7
81.07052	49.0
83.04982	5.0
83.08612	6.1
84.04495	3.0
85.02901	29.2
85.06554	2.0
86.09711	5.8
87.00834	16.7
91.05478	16.6
93.07037	22.4
95.04967	12.6
95.08610	16.0
97.02884	18.4
97.06515	4.3
99.04460	6.0
99.08097	3.9
103.03961	9.7
103.05446	2.3
105.01878	5.0
105.07021	24.2
107.04948	10.3
107.08599	20.3
109.02895	12.3
109.06508	100.0
109.10155	24.8
111.04439	4.1
111.08054	2.7
113.06049	1.9
115.03941	8.3
115.05486	3.3
117.07004	10.4
119.08560	22.1
121.06499	27.9
121.10155	11.2
123.04436	7.7
123.08066	7.5
123.11692	9.0
125.13249	4.9
127.03898	10.4
127.11191	8.0
128.06224	2.5
129.01848	6.6
129.07014	5.4
129.10257	2.8
130.07802	2.3
131.08572	11.9
133.06482	6.2
133.10159	5.1
135.08047	5.5
135.11691	10.9
137.05931	4.7
137.09621	10.6
137.13232	4.3
139.07515	2.5
143.08539	5.2
144.05597	2.2
145.06573	2.5
145.10127	9.4
147.02901	2.7
147.08046	9.4
147.11688	6.2
149.06003	2.9
149.09631	5.4
149.13255	2.9
151.07536	4.9
151.11214	8.0
153.12738	5.3
155.08548	5.0
155.10641	6.4
156.05670	2.1
157.06531	2.7
157.10144	2.6
159.02895	2.9
159.08067	3.5
159.11696	8.1
161.05983	2.5
163.07468	2.3
163.11197	8.3
165.12766	12.4
167.07033	21.0
171.02939	2.3
173.09619	17.6
175.07527	6.4
175.11221	4.5
177.05438	3.2
177.09113	2.9
177.12735	20.3
181.04950	1.9
184.05185	2.0
187.35204	2.1
189.03964	5.0
189.09070	2.9
191.07130	1.9
191.10698	8.5
193.08575	2.8
193.12222	9.3
195.13811	30.9
201.04001	2.6
201.12759	3.4
203.12344	2.0
205.08505	3.6
206.04587	2.0
208.05312	3.3
215.14429	2.6
217.08658	3.3
219.08162	2.8
219.13826	6.2
233.15480	2.9
237.14909	6.8
243.13814	15.1
247.07487	3.4
247.09712	3.5
248.08353	3.0
255.06296	1.8
261.14810	20.5
264.07809	2.1
269.08096	5.2
271.09695	2.5
272.62851	2.1
279.15805	3.3
281.09192	3.4
282.08719	1.9
291.10144	3.9
308.10010	1.9
315.08548	11.0
323.09235	1.9
323.12698	2.1
330.10995	13.8
331.11627	3.9
343.11795	4.5
347.14874	2.8
351.12183	4.5
365.15988	3.3
368.12650	2.3
373.12857	4.5
383.15350	9.4
401.17618	4.4
416.18616	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	401.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.7
53.03936	2.8
55.01863	5.5
55.05505	7.5
55.85339	1.6
56.05012	2.2
57.03431	4.6
57.07058	2.6
59.05015	1.8
61.02917	2.3
67.05510	8.8
68.99785	3.9
69.03419	16.4
69.07066	10.2
70.06580	13.8
70.87187	1.7
71.01360	2.7
71.04998	14.0
71.55449	3.4
72.08128	3.9
73.02918	1.9
74.06074	2.4
79.05484	24.0
81.03414	11.0
81.07047	21.7
83.04996	4.7
83.08605	2.5
84.04523	2.5
84.08133	3.9
85.02898	20.6
86.09700	12.8
87.00829	8.8
91.05472	17.7
93.07039	16.7
95.04955	9.9
95.08598	10.2
97.02908	12.1
97.06516	3.2
99.04474	3.9
99.08095	3.2
102.28154	1.9
103.03909	2.7
103.05457	4.9
105.01864	3.2
105.07027	15.3
107.04953	33.8
107.08599	12.7
107.09205	2.1
109.02894	5.5
109.06512	17.8
109.10145	8.8
110.07162	4.0
112.39322	1.9
115.03951	7.4
115.05441	6.3
116.06217	4.9
117.07016	9.8
118.04140	2.0
119.04909	4.0
119.08581	17.0
120.08074	3.3
121.06487	7.7
121.10134	2.8
123.04443	7.8
123.08058	6.9
123.11690	3.0
124.05252	4.4
125.05985	5.5
125.13281	2.6
127.03934	7.3
128.06216	4.1
129.01816	4.0
129.06999	8.7
129.10223	2.5
130.07738	2.4
131.04936	4.1
131.08546	17.4
133.02885	2.2
133.06432	3.2
133.10129	3.6
135.04488	2.3
135.11697	6.5
137.05978	6.9
137.09642	3.6
141.06996	5.3
143.08562	2.5
143.11765	2.4
144.05714	9.8
145.06482	8.4
145.10127	6.3
147.04373	2.8
147.08043	5.9
149.09590	2.1
151.07576	3.2
151.11191	4.5
152.04675	3.2
153.05479	3.8
153.06998	1.9
153.12714	8.8
155.07161	1.9
155.08528	4.4
156.05675	11.5
157.06418	3.8
158.07248	3.2
159.08015	15.8
159.11678	3.0
161.06012	4.4
161.09702	2.5
163.03909	6.0
163.07552	2.5
163.11214	3.3
165.07004	2.7
165.12784	8.1
167.07028	100.0
171.08038	2.9
173.06009	7.0
173.09610	7.3
173.13168	2.7
174.06725	1.9
175.07588	6.4
177.05484	7.4
177.12805	5.7
179.07018	2.0
181.05009	7.9
181.06436	3.3
181.08673	4.0
181.12227	2.4
183.06493	2.1
184.05154	4.7
186.06752	3.2
187.07451	8.7
190.06291	2.4
191.07066	5.7
191.08701	2.6
191.10611	4.7
193.08580	2.9
195.08157	2.6
195.13820	3.3
199.07480	2.3
201.03966	3.7
201.09081	2.3
202.06277	5.3
203.08617	3.6
205.06677	3.5
205.08629	11.0
207.06532	7.6
207.10117	2.5
208.05174	20.5
208.08669	2.4
210.06667	2.1
211.07483	2.0
213.05522	2.6
215.14221	2.4
217.08594	31.0
218.07326	4.5
219.08081	11.4
219.10165	4.7
219.13821	5.8
220.08826	5.3
221.05978	6.8
221.09692	3.1
227.06999	2.5
229.08630	4.0
231.04761	2.1
231.08080	5.3
231.10201	2.6
233.05962	4.5
233.09627	4.8
234.06662	2.3
235.07578	4.3
236.04648	7.1
236.08345	4.2
237.09087	3.3
237.14821	3.6
238.06500	2.6
239.07146	2.5
240.04228	4.4
243.13693	8.9
246.06750	3.3
247.07484	8.6
247.09691	18.9
248.08253	13.4
249.05403	4.0
249.09108	3.2
250.06314	2.5
251.07059	2.8
251.10634	2.3
254.05786	8.5
255.06552	2.5
259.07373	3.1
259.09784	3.3
260.08340	2.3
261.09045	5.8
261.14877	6.9
262.10007	4.2
263.07062	5.8
263.10648	9.9
264.07785	7.4
265.08606	7.4
267.06537	7.9
269.08069	19.9
271.09634	6.5
272.06839	3.2
275.06985	5.9
276.07803	8.5
277.08591	6.1
279.10168	7.7
281.09045	6.7
282.05511	4.3
282.08856	15.5
283.09607	1.9
285.07483	3.1
287.09180	2.8
290.09329	7.2
291.07022	3.1
291.10123	16.6
292.07333	4.3
293.08157	8.5
294.08920	2.4
295.06262	2.1
295.09537	2.1
299.09070	4.5
300.06128	2.3
301.07016	3.2
304.07236	2.7
305.07983	3.5
307.09546	10.5
308.10364	4.6
309.07608	2.5
310.08276	6.2
310.90723	2.0
311.12613	3.4
315.08591	72.0
316.09106	3.2
319.09695	7.7
320.10452	2.8
320.18497	3.0
321.07504	5.0
321.11044	3.1
322.12021	2.4
323.09274	4.0
323.12781	14.1
328.09433	3.6
330.10953	77.9
331.11554	11.9
336.09851	5.4
337.10675	5.7
339.12289	8.4
341.11227	2.3
343.11722	20.1
351.12213	28.3
352.12979	4.2
353.10138	6.5
356.12680	3.3
368.12466	6.1
369.13446	5.0
371.14868	5.5
373.12784	8.4
383.10889	2.3
383.14819	64.2
394.22144	3.2
401.15976	18.7
401.28815	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	401.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.0
53.03930	4.5
55.01862	7.1
55.05500	9.5
56.05036	3.2
57.03424	6.7
57.07051	2.9
59.02470	2.1
61.02933	3.4
62.75320	2.3
65.03918	6.0
67.05496	9.2
68.99776	6.4
69.03423	24.1
69.07064	16.2
70.06590	31.2
71.04987	18.6
71.08634	3.5
71.51775	3.7
72.08144	9.1
73.02904	2.8
74.06070	3.2
78.04701	2.9
79.05482	27.6
81.03413	15.8
81.07037	23.3
83.04981	4.6
83.08620	3.9
84.04488	5.5
84.08138	11.6
85.02900	22.0
86.09695	24.4
87.00826	10.3
91.05480	24.1
93.07040	19.6
95.04953	11.1
95.08604	7.9
97.02879	14.5
99.04425	3.1
101.07173	2.4
102.05543	3.8
103.03904	2.5
103.05436	4.9
105.01864	9.0
105.07028	15.6
107.04956	37.1
107.08589	15.1
109.02867	9.1
109.06513	31.1
109.10150	8.3
110.07166	6.1
111.04492	2.7
113.50928	2.3
115.03916	7.6
115.05452	6.4
116.06258	3.9
117.07003	10.8
119.04939	4.9
119.08587	23.9
120.08102	7.4
121.05722	3.1
121.06488	16.7
121.10119	5.3
123.04430	10.7
123.08068	7.8
123.11703	3.6
124.05176	5.9
125.05979	7.3
127.03928	8.3
127.11145	3.2
128.06200	4.5
129.01840	6.4
129.06973	9.3
129.10194	5.1
130.05023	4.2
131.04910	5.2
131.08577	14.7
133.06491	9.0
133.10068	4.4
135.04381	2.9
135.08063	6.3
135.11684	7.3
137.05983	8.2
137.09595	4.2
141.06967	8.4
143.08549	3.8
144.05696	6.4
145.04906	2.3
145.06468	8.2
145.10132	9.9
147.02840	3.4
147.04451	2.5
147.08017	8.9
147.11668	5.9
149.06012	2.9
149.09605	6.7
151.11125	4.7
152.04768	2.9
153.12746	8.9
155.08559	3.7
155.10632	2.8
156.05688	14.2
157.06467	5.8
159.02943	4.5
159.08035	16.6
159.11690	3.4
161.06001	4.7
161.09593	2.6
163.03958	6.1
163.07584	3.0
163.11160	4.7
165.07016	6.6
165.12773	8.3
167.07027	100.0
171.08023	3.9
173.05951	4.7
173.09622	13.1
175.07510	4.6
177.05423	5.6
177.12769	7.1
179.06966	3.7
181.04964	10.7
181.08603	3.3
183.07976	3.2
183.11514	2.6
184.05234	6.9
186.06700	4.5
187.07497	10.2
189.03958	4.1
189.12726	2.8
191.06995	6.7
191.08594	2.9
191.10631	5.0
193.06503	5.5
193.08618	4.4
193.12225	3.1
195.06383	3.1
195.13806	7.1
199.07446	3.2
201.03897	4.4
201.12766	4.1
202.06216	5.1
203.07005	3.2
205.06593	6.4
205.08611	16.5
206.07248	3.6
207.06506	6.2
207.08209	3.4
207.10106	2.6
207.13927	3.3
208.05161	20.0
209.08125	3.0
210.06761	3.2
217.06609	4.5
217.08586	34.9
218.07280	6.6
219.08023	10.7
219.10246	6.5
219.13710	3.3
220.08749	4.7
221.06006	7.7
223.07343	2.4
226.35626	2.5
229.04922	2.7
229.08580	9.4
231.08041	9.5
231.10127	3.0
233.05968	3.5
233.09676	4.9
234.06744	4.5
235.07541	4.1
236.04649	8.0
236.08163	3.4
238.06360	3.1
241.08662	4.2
243.13727	8.1
245.09605	3.6
246.06581	3.5
247.07477	14.2
247.09683	21.5
248.08347	15.8
249.09181	3.8
250.06125	3.4
253.08684	3.8
254.05756	8.9
257.04437	3.3
259.07507	7.3
261.09100	6.9
261.14874	11.9
262.06342	3.0
262.09940	4.1
263.07071	4.5
263.10614	9.3
264.07861	10.0
265.08588	8.6
267.06531	7.2
268.03790	3.6
269.08054	24.3
271.06122	2.8
271.09668	10.2
275.06982	8.2
276.07816	10.3
277.08524	5.9
278.05756	3.5
279.06680	3.0
279.10135	9.7
279.15878	3.0
280.07523	2.8
281.08990	5.3
282.05582	3.0
282.08740	14.4
285.07663	4.2
287.09238	5.5
290.09250	5.4
291.07083	2.7
291.10239	13.0
292.07309	4.2
293.07901	11.1
295.09750	2.8
299.09134	6.5
300.06171	2.7
301.06848	4.0
304.07245	2.5
305.08121	3.1
307.09604	14.6
308.10373	9.0
309.07605	3.0
310.08435	7.9
311.12665	3.2
315.08591	79.0
316.09128	4.3
319.09589	9.6
321.07617	5.4
321.11053	3.7
323.09235	5.3
323.12759	18.3
325.10831	3.0
327.12131	3.2
328.09457	6.5
330.10956	78.3
331.11633	14.8
335.09109	2.9
336.10278	4.6
337.10519	9.5
339.12363	9.2
341.10788	3.6
343.11758	29.5
351.12241	25.8
352.12955	5.4
353.10220	8.8
356.12607	3.5
365.15625	2.8
368.12628	8.4
369.13208	2.5
371.14990	5.8
373.12750	11.7
383.10330	3.4
383.14844	59.5
401.16217	14.7
401.23871	4.2
401.28815	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	401.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88331	0.5
53.03917	0.8
53.50264	0.6
55.01854	0.6
55.05507	0.7
57.66943	0.6
58.16090	0.5
62.25394	0.6
67.05498	1.6
69.03420	2.2
69.07077	1.3
70.06585	2.5
70.09286	1.8
70.09700	1.0
72.08172	0.7
73.35934	0.5
79.05473	2.1
81.03409	5.5
81.07053	2.5
84.04495	0.8
84.08121	1.4
85.02892	0.9
86.09682	2.2
91.05476	2.6
93.07040	3.7
94.23431	0.5
95.04937	0.9
95.08572	2.2
96.80668	0.6
97.02877	0.8
97.06533	1.1
98.21432	0.6
101.00879	1.2
105.07011	1.1
107.04963	1.8
107.08581	2.6
109.02890	1.7
109.10150	2.0
119.01920	3.9
119.08550	1.2
121.06486	0.8
121.10062	0.7
125.13681	0.6
127.03926	2.0
130.04918	0.6
131.01952	1.0
131.08536	1.4
135.11688	4.5
137.05980	2.3
152.92456	0.6
153.12727	2.5
159.08043	1.3
160.05077	0.6
161.02995	1.5
165.09108	1.0
167.07063	5.2
177.09099	0.7
181.05029	1.1
187.00868	2.1
187.07423	0.8
205.01900	1.1
205.08615	0.9
208.05232	1.1
214.54623	0.6
217.08586	1.7
219.07982	0.7
227.05280	1.0
229.01862	0.9
247.07457	0.6
247.09717	1.1
248.08403	0.8
271.04315	2.9
282.08835	1.1
289.05362	1.4
291.10208	0.8
293.08401	0.8
308.17822	0.6
315.08679	2.5
315.17853	1.3
324.13266	0.7
330.10913	2.7
339.17712	0.8
343.11554	0.9
351.12271	1.3
357.18826	20.4
383.15128	2.3
401.17825	100.0
402.18137	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	401.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83083	0.8
54.15964	0.5
55.01870	0.6
55.05504	0.8
60.28734	0.5
67.05501	1.0
69.03422	1.6
69.07055	1.0
70.05211	3.0
70.06581	2.7
71.05042	0.6
72.08138	0.8
79.05481	1.4
81.03419	3.5
81.07066	1.6
83.08588	1.0
84.04506	1.3
84.08155	1.4
86.09690	1.0
91.05465	2.1
93.07045	1.8
95.04964	0.7
95.08595	1.8
95.63340	0.5
105.07037	1.3
107.04941	1.9
107.08582	2.7
109.02861	1.9
109.10154	2.2
119.01916	3.5
119.44608	0.6
123.04427	0.8
127.03857	1.0
129.06950	1.2
129.10242	0.7
131.01895	0.7
131.08488	0.7
133.10094	0.8
135.11705	2.2
137.02980	0.9
137.05971	2.2
147.11565	0.7
153.12744	1.5
155.01810	0.8
159.08109	1.2
161.02928	1.1
165.09103	1.5
167.07045	5.0
171.08098	0.6
178.19638	0.7
187.00871	2.1
187.07637	0.9
208.05130	0.7
217.08527	1.2
219.08144	0.7
227.05199	1.3
229.01900	1.3
247.07489	0.8
247.09741	1.5
265.08667	0.7
269.08099	1.5
271.04184	1.7
280.37476	0.6
282.09033	0.9
289.05322	1.2
291.10193	1.1
308.10202	0.8
315.08728	2.4
315.17819	1.9
330.11127	2.6
333.17612	1.3
339.17892	0.7
343.11774	1.5
351.12140	1.1
357.18820	19.6
358.19016	0.7
383.14951	3.4
401.17816	100.0
402.17978	4.2
405.80911	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84233	1.5
53.03946	2.9
55.01865	1.9
55.05510	6.2
56.05038	4.4
66.91712	1.7
69.03429	2.8
70.06595	46.9
70.31693	7.4
70.72356	1.9
71.06937	2.0
72.08155	58.0
74.06075	4.8
78.04723	1.9
79.05498	15.5
81.03461	1.9
81.07048	2.0
82.06583	2.5
84.04488	9.0
84.08144	24.0
85.02905	4.6
86.09703	58.2
87.40302	1.6
88.04008	4.0
91.05491	9.7
91.05988	1.8
95.04994	4.9
97.02875	2.4
102.05565	2.6
103.05565	2.2
105.03423	3.9
107.04955	34.5
110.07182	3.4
112.08763	2.6
115.05446	4.5
115.08687	1.7
116.07095	2.3
117.49892	2.0
120.06623	1.6
120.08094	5.7
121.06529	1.8
122.03612	2.3
123.04449	5.1
124.05228	5.8
125.05997	2.5
127.03915	1.8
127.08667	3.5
129.06992	7.0
129.10248	14.4
130.08649	2.6
131.04958	3.0
131.08560	6.5
131.11807	3.1
136.07578	3.3
137.05995	4.1
141.07033	2.7
141.10149	3.8
143.11795	2.8
144.05719	4.5
145.02837	2.6
145.06505	8.7
147.04430	3.3
147.11372	2.3
149.05962	2.7
150.05560	4.0
152.04709	4.2
153.05496	2.4
156.05687	8.4
157.06477	4.3
159.08022	15.3
163.03906	3.0
165.07008	1.9
167.07037	100.0
168.07422	3.4
169.09749	2.1
171.14938	3.5
173.05966	5.6
177.05460	4.3
179.07077	3.7
181.04941	3.7
181.06409	2.1
185.16516	3.8
186.06613	2.3
186.12431	5.9
187.07564	8.0
189.12317	2.8
191.08612	4.5
193.08582	2.5
195.06575	4.9
199.14470	2.4
201.09114	3.1
202.06136	3.2
203.08551	5.4
203.13937	4.6
205.06670	3.3
205.08649	8.3
207.04857	2.6
207.06567	5.4
207.08232	2.9
208.05170	19.8
208.08797	3.7
210.06775	3.1
213.16005	4.2
215.08620	3.3
217.08568	20.6
218.07320	5.6
219.08058	12.7
219.10123	4.5
220.08853	5.5
221.05969	9.6
221.09853	2.6
226.06239	2.2
227.06924	3.1
229.08630	11.4
229.15466	2.9
231.08075	9.9
232.08891	3.3
233.09612	4.6
234.06744	3.7
234.10327	3.4
235.07561	4.8
235.11209	3.6
236.04720	6.8
236.08340	3.6
237.09232	2.8
239.07106	4.8
239.24817	2.0
240.04233	4.0
242.15161	1.9
245.09361	3.0
246.06790	3.5
247.07541	15.3
247.09711	17.4
248.08385	13.6
249.05472	4.5
249.08992	4.7
250.06171	2.8
251.10684	2.3
254.05789	8.5
255.06526	3.0
256.07358	3.6
259.07596	4.6
261.09131	5.6
262.06143	2.7
262.09909	7.6
263.07220	4.1
263.10690	13.5
264.07834	10.3
265.08615	8.2
266.09348	2.4
267.06552	11.7
269.08099	20.1
270.08493	2.6
271.09644	9.6
272.06812	5.3
275.06992	9.6
276.07834	8.1
277.08640	7.5
279.06802	3.1
279.10172	11.0
280.10681	2.5
281.08258	3.4
282.05557	3.2
282.08783	18.9
287.09253	3.5
290.09344	5.3
291.10101	18.8
292.07281	4.6
292.10504	3.0
293.08127	12.7
294.08707	3.2
295.06137	3.0
299.09161	4.5
300.06290	2.5
304.07404	2.1
304.13284	3.2
305.08105	3.6
306.08719	3.1
307.06442	3.5
307.09573	14.8
308.06958	2.4
308.10394	7.4
309.07547	2.5
309.11136	3.0
310.08215	10.1
311.12839	3.8
315.08612	71.7
316.09183	3.9
319.09683	11.8
320.10413	3.0
321.07376	5.2
321.11111	2.9
322.11700	2.7
323.12802	17.3
324.10089	2.4
328.09509	5.8
330.10971	78.2
331.11713	14.5
336.09927	8.7
337.10663	9.5
338.07712	2.4
338.11383	2.6
339.12137	12.0
343.11758	26.6
351.12241	40.1
352.12955	2.7
353.10358	9.7
356.12299	3.9
368.12769	12.0
369.13449	5.3
371.14905	5.7
383.14911	88.5
384.15231	3.8
401.16141	22.2
401.28775	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94504	1.9
70.06583	6.4
70.96107	5.3
72.08145	2.3
79.05495	21.1
86.09707	6.7
87.41596	2.2
91.05471	6.5
95.04961	4.9
98.64259	2.2
101.91869	2.1
104.22736	2.1
107.04946	37.8
112.45156	2.1
115.05441	5.0
116.06242	5.0
117.07011	4.0
123.04440	2.9
124.05243	6.0
125.05930	4.0
128.06259	3.9
129.06999	7.1
131.04825	2.4
131.08569	10.0
141.06978	6.9
141.71971	2.1
144.05711	5.3
145.06458	7.6
147.04439	2.7
152.04710	4.7
156.05688	9.5
157.06468	4.8
158.07277	2.7
159.08031	17.7
161.05873	3.7
163.03871	3.0
165.05533	2.0
165.06908	2.7
167.07040	100.0
168.07355	2.3
173.06029	5.7
174.06799	2.8
177.05447	2.3
179.07091	2.3
180.05579	2.8
181.04984	3.8
181.08652	3.9
184.05148	2.7
186.06737	3.3
187.07550	9.5
189.06958	2.6
190.07748	4.8
191.07010	3.8
191.08583	4.9
195.06517	3.1
201.09082	3.6
202.06207	5.2
202.07855	5.1
203.08542	5.1
205.06696	3.9
205.08499	14.2
207.06451	5.6
208.05180	29.3
208.08827	2.7
209.05890	2.4
210.06631	3.2
211.07565	4.5
215.08537	3.1
217.08582	18.6
218.07240	7.9
219.08047	16.0
219.10002	3.7
220.08833	6.9
221.05965	8.5
223.07460	2.5
224.04704	3.4
224.08197	2.2
229.08572	11.4
230.07166	2.5
231.08008	13.7
231.10114	2.9
232.08847	2.5
233.06068	3.1
233.09621	6.1
235.07500	6.5
235.11121	4.4
236.04634	5.5
236.08238	6.5
238.06326	3.3
239.06978	3.7
240.04227	3.1
245.09727	3.6
246.06651	3.5
247.07495	17.9
247.09702	21.8
248.08342	17.0
249.05452	5.2
249.09081	5.7
250.06232	3.2
251.10725	2.9
254.05835	10.9
255.06412	4.3
256.07318	3.3
258.06744	2.8
259.07480	5.4
260.08316	4.4
261.09061	8.0
262.06213	2.6
262.09833	7.8
263.07117	8.1
263.10645	14.3
264.07794	13.0
265.08521	10.4
266.05682	3.3
267.06580	13.8
268.03787	4.0
269.08081	28.7
271.06146	3.9
271.09570	8.2
272.06732	2.8
275.07010	12.0
276.07843	9.7
277.05020	3.2
277.08572	7.2
278.09332	3.2
279.07028	2.1
279.10150	9.7
280.10834	2.3
281.08041	3.1
282.05484	3.5
282.08817	25.3
284.06671	2.5
285.07413	3.7
290.09375	6.5
291.10156	20.0
292.07272	6.3
293.08160	13.7
293.11166	2.5
299.09204	6.8
300.06332	3.0
301.07083	3.8
305.07986	6.1
307.09595	18.3
308.10358	9.9
309.10849	3.3
310.08328	9.3
311.12756	3.1
313.10754	2.3
315.08627	78.1
316.08850	4.9
319.09833	12.2
320.10352	4.3
321.07599	5.3
321.11169	3.3
322.08435	2.8
323.12872	21.2
324.09955	3.2
328.09457	8.7
330.10983	84.4
331.11749	15.8
335.09155	2.2
336.09879	6.7
337.10815	13.4
339.12198	12.1
343.11734	27.2
344.12195	2.5
351.12238	30.6
352.12933	6.8
353.10156	7.7
356.12531	7.4
368.12643	12.3
369.13330	3.9
371.14844	6.5
383.14896	93.2
384.15424	3.9
401.16000	20.4
403.30533	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01877	1.4
55.05485	2.3
57.03420	2.4
65.03937	2.0
67.05489	3.3
69.03420	2.2
69.07053	2.2
70.06590	8.6
71.04942	4.4
72.08136	2.1
78.04704	1.4
79.05488	13.3
81.03393	3.2
81.07040	6.4
83.04968	1.7
84.04494	2.6
84.08165	2.3
85.02888	2.9
86.09689	9.3
91.05476	10.2
93.07037	3.1
95.04964	5.4
95.08600	3.1
97.02908	1.3
103.05447	2.9
105.07043	4.8
107.04953	28.8
107.08636	1.3
109.06506	3.2
109.10147	1.7
111.04404	1.4
115.05447	4.9
117.07021	6.0
119.04939	2.6
119.08575	2.7
120.08092	2.4
121.06492	2.8
121.10131	1.7
122.03643	1.3
123.04424	5.4
123.11693	1.7
124.05181	5.3
125.05982	3.4
127.03946	1.6
128.06195	2.9
129.07013	7.4
130.04958	2.4
131.04935	3.3
131.08586	10.1
133.02917	1.7
133.06508	3.7
133.60814	1.1
135.04373	2.3
137.05968	7.1
141.06989	3.7
143.08565	1.6
144.05678	6.5
145.06499	5.7
147.11708	1.5
149.05931	3.0
149.09613	1.2
151.07565	1.7
152.04665	3.3
153.05501	2.5
156.05682	12.6
157.06477	4.7
158.07251	2.2
159.08061	16.9
159.09303	2.2
161.05952	5.1
163.03845	3.4
165.05508	1.6
165.06976	1.5
167.07034	100.0
168.07338	1.8
169.06357	2.2
169.07701	1.4
171.06586	1.3
173.05966	5.5
175.07494	1.3
177.05429	4.3
178.07884	1.8
179.07083	2.4
179.08559	1.6
181.04919	7.4
181.06328	2.2
181.08586	3.0
183.07991	2.0
184.05186	4.0
186.06784	2.8
187.07518	8.9
189.07068	1.9
190.06192	3.5
190.07738	2.0
191.07024	3.0
191.08629	3.6
193.06508	2.6
193.08508	2.0
195.06496	4.4
195.08095	1.7
201.09055	1.8
202.06244	6.7
202.07874	2.4
203.06912	1.4
203.08600	2.9
204.07738	2.2
205.06555	2.9
205.08521	16.2
205.10100	1.8
206.07153	1.3
207.06430	5.8
207.09842	1.8
208.05188	17.9
208.08774	2.9
209.06100	1.8
209.07947	2.3
210.06708	3.2
211.07526	3.4
213.05309	1.7
215.08711	1.6
217.08585	33.3
218.07260	3.8
219.08017	10.6
219.10149	5.4
220.08823	5.3
221.05968	6.2
221.09651	1.7
222.06680	1.5
227.06979	2.5
229.08524	3.2
230.07214	1.9
231.08070	7.8
231.10123	2.3
232.08980	2.4
233.05948	3.2
233.09631	4.6
234.06749	2.9
235.07466	4.7
236.04698	9.6
236.08339	4.7
237.09105	3.9
238.06189	1.7
239.07027	2.7
240.04086	2.5
241.08742	1.5
245.09624	2.8
246.06705	2.7
247.07491	12.3
247.09683	18.0
248.08244	12.4
249.05450	4.2
249.08990	3.7
250.06308	2.6
251.07053	2.5
251.10703	1.7
253.08656	1.9
254.05730	7.9
256.07260	2.3
257.04355	2.2
259.07474	4.7
260.08310	1.6
261.05423	1.8
261.09106	5.0
262.06183	2.0
262.09998	3.5
263.06998	4.5
263.10730	11.2
264.04468	1.3
264.07730	6.2
265.08563	6.7
266.05746	2.1
267.06454	6.6
268.03601	2.8
269.08057	23.8
271.05960	2.7
271.09647	8.8
272.06528	3.1
275.07016	6.3
276.07761	7.2
277.08499	6.2
278.05743	3.5
278.08905	1.4
279.06635	2.1
279.10165	6.9
280.07300	1.4
280.10794	2.1
281.08267	1.9
282.05289	4.1
282.08853	14.3
284.06711	2.5
285.07547	2.8
287.09238	3.6
289.08426	1.6
290.09305	3.3
291.06964	2.2
291.10117	14.5
292.07309	3.7
292.10696	2.5
293.08096	10.9
294.08875	1.4
295.06287	1.9
295.09799	2.3
296.10352	2.2
299.05948	1.6
299.09103	5.2
300.06265	2.8
300.09576	1.7
301.07178	2.9
304.07120	2.6
305.08069	4.1
307.06262	2.0
307.09552	10.8
308.10318	5.9
309.07715	2.1
309.11047	1.6
310.08405	8.6
311.12659	4.1
315.08609	76.7
316.09030	4.9
318.08881	1.8
319.09622	8.2
320.10345	1.7
320.18564	3.2
321.07639	4.8
321.11035	1.7
322.08282	3.0
322.11859	2.1
323.08987	3.2
323.12735	14.4
324.09613	2.1
325.10773	1.8
328.09402	4.2
330.10962	81.5
331.11688	14.0
335.09082	2.0
336.09824	4.3
337.10602	8.6
339.12213	9.1
341.10403	2.3
343.11728	21.0
345.13168	1.4
351.12253	24.2
352.12881	3.7
353.10184	7.1
355.11856	1.6
356.12521	5.0
357.13171	1.6
361.69940	1.5
368.12564	9.6
369.13248	3.6
371.14969	5.3
373.12628	6.2
383.14896	61.1
384.15216	2.5
394.22186	4.0
401.16113	20.8
401.28070	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01875	3.1
55.05503	2.5
59.90526	1.2
61.02903	2.1
65.03951	1.2
67.05498	4.4
69.03423	10.0
69.07046	2.4
69.29417	1.2
69.91651	6.7
70.06588	4.3
70.73438	1.5
71.04984	3.3
72.08140	4.4
73.02940	1.9
78.04708	2.8
79.05495	16.8
79.08389	1.2
81.03416	6.1
81.07047	11.2
83.04929	1.5
83.08600	1.8
84.04506	1.5
84.08115	1.5
85.02895	7.0
86.09698	8.1
87.00832	3.8
91.05478	10.7
93.07046	10.4
95.04965	5.2
95.08593	5.5
97.02905	4.4
97.06499	2.0
102.05547	1.3
103.05470	2.2
105.01897	1.6
105.04467	1.9
105.07012	7.5
107.04951	30.6
107.08586	11.1
109.02859	3.3
109.06529	4.9
109.10129	3.1
110.07159	1.7
115.05437	5.2
116.06247	2.8
117.07002	3.9
119.08580	7.3
121.06505	3.1
121.10123	2.6
123.04408	10.6
124.05211	7.6
125.05968	4.0
127.03925	5.1
128.06198	3.6
129.06985	8.0
131.04901	1.6
131.08556	10.6
133.06517	2.0
133.10098	1.6
135.11664	9.5
137.05986	2.4
137.09589	1.6
137.13268	1.4
141.06996	3.8
143.08563	1.6
144.05695	5.5
145.06474	6.2
145.10121	5.1
147.08014	2.0
147.11719	1.9
151.07526	2.3
152.04692	3.1
153.05484	2.9
153.07016	1.4
153.12715	2.7
156.05679	14.7
157.06467	4.2
158.07274	2.0
159.02914	2.6
159.08040	13.5
159.11670	4.2
161.05981	3.0
161.09637	1.3
163.03902	4.1
165.07043	1.5
167.07027	100.0
168.07356	2.3
170.07376	1.4
171.11653	1.8
173.05975	6.1
175.07579	1.9
177.05507	2.2
179.07024	4.5
180.05647	1.5
181.04913	1.8
181.06485	1.7
181.08542	4.0
184.05200	4.4
186.06720	1.5
187.07526	9.6
189.05434	1.4
190.07787	1.8
191.07011	2.1
191.08546	2.5
193.08537	1.7
194.07335	1.6
195.06543	3.7
197.08043	3.0
202.06201	5.0
202.07901	2.7
203.06865	1.8
203.08553	1.7
204.07808	2.4
205.06689	2.0
205.08546	15.4
205.10275	1.8
207.06506	5.6
207.09981	1.8
208.05190	16.4
208.08810	1.5
209.05826	1.8
210.06706	3.4
211.07487	2.8
215.06964	2.0
217.08580	36.7
218.07249	4.9
219.08038	11.9
219.10193	5.2
220.08842	4.4
221.05949	5.9
221.07863	1.7
223.07567	1.6
229.08563	4.1
231.04869	1.6
231.08078	8.4
231.10138	2.7
233.05933	2.5
233.09612	5.8
235.07587	2.7
236.04710	6.3
236.08382	2.4
237.09085	2.0
238.06364	2.5
239.07108	2.4
243.13893	2.6
245.09657	3.6
246.06789	1.9
247.07468	13.4
247.09680	25.1
248.08270	13.3
249.05412	1.9
249.09111	3.3
250.06366	2.1
251.10629	3.5
254.05728	10.2
259.07550	2.4
260.08331	2.6
261.08984	6.9
261.14948	3.8
262.06409	2.3
262.09848	2.7
263.07083	4.2
263.10641	11.0
264.04987	1.3
264.07697	6.3
265.08530	6.8
266.05865	1.9
267.06580	6.3
268.03687	1.5
269.08066	18.5
271.06119	2.2
271.09586	6.1
272.06805	4.4
275.07025	7.5
276.07849	7.8
277.08572	4.7
278.05618	1.5
279.10117	8.2
280.10776	2.0
281.08139	2.6
281.11429	1.8
282.05505	2.8
282.08844	16.6
284.06802	1.8
285.07687	1.5
287.09198	2.5
290.09338	3.9
291.10107	15.3
292.07370	2.1
292.10550	1.4
293.08051	9.1
294.08887	1.3
295.09784	1.7
296.10254	1.7
299.05814	1.2
299.09122	5.0
300.06305	3.1
300.09726	1.7
301.07138	3.3
304.07190	1.5
305.08014	3.1
305.11536	1.8
307.09555	9.6
308.10376	7.1
309.07742	1.6
309.11169	2.6
310.08392	7.0
311.09055	1.6
311.12665	3.2
315.08597	68.9
316.09201	2.7
318.09085	1.7
319.09641	10.0
320.18607	3.1
321.07596	3.2
321.11111	2.5
322.12054	2.6
323.09222	2.1
323.12698	16.3
325.10794	2.7
328.09381	4.5
330.10950	87.7
331.11621	15.3
336.09848	6.1
337.10599	7.0
338.07687	2.4
338.11328	1.5
339.12222	9.4
341.13879	1.7
343.11752	18.9
347.15021	1.9
348.20056	2.4
348.70441	1.9
351.12231	31.8
352.13138	4.9
353.10071	4.8
356.12488	4.1
368.12378	11.5
369.13779	2.9
370.21039	3.9
371.14908	4.8
383.14853	74.7
384.15024	3.2
401.15961	20.7
401.28494	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.05501	3.0
57.03426	1.9
61.02914	1.9
67.05504	4.1
69.03426	5.7
69.07072	13.1
69.82022	10.7
70.06589	22.2
72.08148	6.0
75.89690	2.2
79.05489	18.6
80.05034	2.0
81.03398	5.6
81.07070	8.2
83.04987	2.3
84.04498	2.8
84.08147	6.0
85.02895	5.9
86.09696	16.1
89.03901	1.9
91.05482	11.9
93.07029	4.8
95.04970	6.6
95.06116	1.9
95.08632	3.4
97.02882	2.9
98.21399	4.2
99.04498	1.8
103.05464	4.1
105.07017	4.7
107.04949	36.3
107.05633	2.7
107.08613	3.1
109.02902	2.7
109.06532	2.1
110.07165	3.8
115.05448	5.9
116.06247	2.9
117.07027	2.8
120.08068	4.5
121.06514	2.8
123.04419	5.3
124.05180	6.1
125.05976	4.1
125.13281	7.2
127.03891	2.5
128.06187	3.9
129.07019	7.1
129.10226	4.7
131.04918	3.9
131.08577	6.8
133.06500	2.8
137.05957	4.8
139.09183	2.0
141.07011	3.6
144.05711	6.9
145.06462	5.3
152.04645	2.6
156.05702	8.7
157.06522	4.1
159.08037	16.9
161.05968	3.5
163.03889	4.0
165.06941	4.3
167.07037	100.0
169.06442	4.3
169.07748	2.4
170.07262	3.2
173.05954	5.3
175.07524	3.7
177.05525	4.1
181.04948	7.1
181.06477	2.0
181.08591	3.4
183.19447	2.0
184.05260	4.5
186.06670	2.8
187.07562	10.5
190.06258	3.2
190.07874	2.2
191.07010	3.1
191.08595	4.0
195.06523	5.1
195.08121	2.0
198.11206	4.1
202.06282	4.3
202.07858	2.5
203.08568	2.1
204.07719	2.7
205.06578	4.6
205.08603	18.7
207.06534	7.9
207.08211	2.2
208.05153	18.3
210.06760	3.7
211.07567	4.3
215.06963	3.3
217.06551	3.9
217.08554	34.6
218.07309	6.8
219.08067	12.6
219.10147	5.0
220.08858	4.5
221.05956	8.3
221.09633	2.5
229.08545	4.2
231.08080	8.8
231.10091	2.5
232.08786	3.9
233.06026	3.1
233.09653	5.5
235.07570	5.0
235.11186	2.2
236.04681	8.7
236.08322	5.6
238.06311	2.6
239.06970	2.9
241.08609	3.0
244.09071	2.9
245.09604	4.3
247.07510	19.0
247.09761	17.7
248.08315	15.0
249.05501	2.6
249.09010	3.7
250.06354	3.2
251.10712	3.1
254.05815	8.1
255.06442	2.5
259.07498	2.9
261.09158	4.0
262.06189	3.1
262.09821	4.4
263.07068	5.1
263.10648	13.5
264.07797	10.3
265.08624	8.9
266.05710	3.2
267.06528	12.5
268.03366	2.3
269.08051	22.1
271.09720	7.9
272.06717	4.6
274.18195	2.2
275.07013	7.1
276.07779	7.8
277.08630	6.7
279.10208	8.6
280.07437	3.5
280.10757	2.7
281.09183	7.2
282.05722	3.3
282.08899	15.2
287.09097	3.2
288.20154	2.0
290.09387	5.4
291.10077	15.8
292.07260	5.2
292.10413	2.7
293.08072	8.9
294.09012	3.4
299.09158	4.1
301.06760	2.7
305.08063	2.2
307.09686	8.7
308.10406	5.5
310.08298	10.3
311.13235	2.2
315.08627	67.3
316.09204	6.1
319.09616	7.9
320.10703	2.2
321.07660	5.3
321.11157	2.7
323.09201	3.8
323.12616	15.3
325.10657	2.7
328.09299	6.1
330.10965	76.5
331.11652	14.3
336.10059	5.5
337.10629	8.4
338.07816	2.6
339.12308	9.1
341.10632	3.5
343.11697	17.8
344.11945	2.3
351.12289	22.8
352.13071	4.3
353.10251	8.2
368.12640	7.9
369.13248	6.2
371.14908	3.5
373.12875	8.8
383.10324	4.2
383.14859	55.6
384.15335	4.4
394.21948	3.0
401.11395	3.1
401.15366	11.4
401.19559	3.7
401.23734	4.1
401.28647	5.2
401.74216	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.01878	2.2
69.03433	2.9
69.07048	3.6
70.06578	7.6
70.61325	3.6
70.61676	6.4
77.03909	1.8
79.05488	14.0
81.03390	2.2
81.07052	4.2
84.04494	2.5
86.09677	4.4
91.05467	11.6
93.07018	3.9
95.04969	5.5
95.08590	1.9
97.02880	2.9
105.06993	5.1
107.04964	32.3
107.08563	2.5
115.05420	3.1
116.06261	2.3
117.07005	5.6
119.04931	2.1
121.06519	3.9
123.04429	3.4
124.05183	5.7
125.06006	3.0
128.06212	3.9
129.06998	9.0
131.04921	2.8
131.08560	8.0
131.26945	1.9
133.06435	3.2
137.05972	5.4
141.06985	6.7
144.05666	6.1
145.06458	6.1
147.07964	2.5
149.06015	2.4
152.04607	4.8
155.06053	3.2
156.05679	12.0
159.08063	15.3
161.05997	3.8
163.03891	4.7
165.06915	3.3
167.07037	100.0
169.06358	3.6
173.05971	6.4
175.07469	2.4
177.05484	4.0
181.04884	4.3
181.08606	6.0
184.24722	2.2
186.06673	3.1
187.07562	11.6
191.07031	4.7
193.06511	3.4
193.08492	3.5
194.07314	2.6
195.06483	2.7
202.06169	5.3
202.07858	3.1
205.06775	3.0
205.08580	16.6
206.07198	2.3
207.06473	5.1
208.05197	19.8
208.08815	3.8
210.06715	2.3
211.07556	3.5
215.06937	2.3
217.08577	32.3
218.07205	6.8
219.08031	13.8
219.10167	6.0
220.08749	5.8
221.05939	9.0
221.09541	3.1
226.06186	2.8
229.08717	4.6
231.07993	9.4
231.10101	3.7
232.08733	4.6
233.09636	6.1
234.06564	3.5
235.07518	4.5
236.04672	8.7
236.08401	3.5
238.06242	2.7
239.06955	2.9
240.04195	3.7
241.08630	2.4
245.09650	2.6
246.06810	3.2
247.07420	12.2
247.09688	21.0
248.08348	14.9
249.05547	2.9
249.09048	5.1
250.06306	3.0
251.07063	2.1
254.05768	11.2
259.07526	3.7
261.09091	6.3
262.09918	3.4
263.06863	3.0
263.10715	10.8
264.07806	9.4
265.08560	8.2
267.06412	7.1
269.08087	19.8
271.06183	2.2
271.09686	9.7
275.07010	7.2
276.07785	9.3
277.08652	5.4
278.05536	3.0
279.10181	10.0
280.10657	3.4
281.08163	3.8
281.11490	2.4
282.05447	4.3
282.08810	15.8
285.07425	3.5
290.09393	6.2
291.10187	17.9
292.07330	3.9
292.10678	2.5
293.08047	9.0
295.09427	2.4
296.10352	3.4
296.39264	2.4
299.09076	6.9
301.07059	3.6
305.08054	3.0
307.09702	11.5
308.10349	6.7
309.07651	2.2
310.08432	7.1
311.12918	3.1
315.08603	76.6
316.08981	5.0
319.09534	9.8
321.07483	3.1
321.11218	3.7
322.08426	4.6
323.12723	15.4
327.68213	2.7
328.09433	5.2
330.10947	75.3
331.11798	13.5
336.09796	6.5
337.10739	5.6
339.12222	8.3
343.11743	25.4
346.14886	2.3
351.12213	25.0
352.12967	4.2
353.10162	9.2
368.12668	9.9
369.13266	4.4
371.14932	3.7
383.10367	3.7
383.14914	64.9
384.15070	3.0
401.16022	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	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01863	7.8
55.05500	2.8
56.05019	2.0
56.95724	1.2
56.96551	1.6
57.03435	16.0
59.05019	1.4
61.02926	18.2
67.05519	1.4
69.03430	29.3
69.07053	2.2
70.06591	18.3
70.77600	3.6
71.01339	3.3
71.05003	1.8
71.06914	2.7
72.08157	10.7
73.02915	79.5
74.06085	1.3
75.01099	1.0
79.05484	2.2
81.03432	7.9
81.07043	2.2
84.04510	5.2
84.08146	8.6
85.02905	100.0
86.03204	2.0
86.09702	27.1
87.03931	1.0
87.04468	4.5
87.10008	1.6
91.03963	5.5
91.05464	1.5
95.04986	2.0
97.02888	51.7
98.03175	1.2
98.97588	2.3
99.04438	4.8
102.05502	1.8
103.03954	2.7
105.03377	10.4
107.04896	1.9
107.07869	1.2
107.08578	2.4
109.02870	7.5
109.13136	1.3
110.07175	5.6
112.78323	1.3
114.05503	1.1
115.03929	27.0
115.08705	1.6
116.07095	1.5
119.08556	2.3
120.08080	7.4
121.10166	1.3
123.04433	1.3
127.03915	33.7
129.10216	5.5
130.04953	1.7
133.04967	37.0
133.10085	2.8
136.06158	1.4
136.07564	1.9
145.04955	55.1
150.07603	3.1
152.07050	1.7
163.06023	28.6
164.07054	1.1
167.07043	2.1
181.04999	1.1
183.29012	1.1
185.12898	1.6
185.16476	3.0
189.12529	1.6
191.11807	1.6
191.14363	1.6
193.04947	1.6
197.01251	1.8
199.05945	1.5
204.57103	1.1
213.15930	2.8
215.02135	1.4
217.06993	1.5
223.06026	5.0
232.13213	1.1
241.07097	7.2
251.09590	1.3
251.14935	4.0
259.08185	6.3
277.09134	1.6
295.10208	1.9
312.12122	2.3
319.11288	1.5
340.13336	1.2
357.69693	1.1
370.13684	1.1
382.22250	1.6
383.14813	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	398.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
53.99216	0.3
55.01857	0.5
55.05492	0.6
56.05020	0.4
57.03431	0.4
60.04476	0.4
63.02378	0.5
64.52843	0.5
69.03432	2.1
70.06586	8.1
70.41118	0.8
70.41505	1.3
72.08146	2.9
74.06059	0.6
78.04655	0.4
79.05473	0.4
82.06550	0.4
83.18147	0.4
84.04482	1.5
84.08144	3.7
85.02890	1.6
86.09698	4.4
89.03912	5.0
91.05465	1.1
95.01334	5.5
97.02316	0.5
97.02892	7.5
98.20840	0.5
100.11229	0.5
101.07131	0.5
102.05524	0.6
104.38848	0.5
107.04957	0.6
110.07150	2.1
113.02367	5.4
115.08691	0.4
117.03374	16.0
120.08081	2.7
123.00783	7.7
125.02323	1.2
129.10205	3.3
132.08076	1.2
134.03625	1.5
135.04453	2.0
136.07529	1.3
137.05972	0.9
141.01849	5.3
143.03409	2.9
145.02840	40.6
145.29150	0.4
146.03136	0.9
149.05963	7.2
150.09113	0.8
152.07042	0.5
162.03156	0.6
162.05438	0.4
163.03873	3.3
169.01317	4.0
175.07324	0.4
177.05464	100.0
178.05792	2.2
186.05518	1.0
186.08731	0.5
187.02371	1.6
195.06520	44.4
196.06909	1.0
204.06529	0.5
212.20117	0.4
220.06078	0.6
223.04646	0.5
245.59395	0.5
283.19403	0.5
311.09421	0.5
336.17889	0.6
359.12643	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	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01871	0.5
55.05515	2.1
56.05031	1.0
57.03425	0.8
57.07074	2.9
59.04991	1.3
61.01126	0.5
61.02922	4.3
67.05142	0.4
67.05503	9.2
68.99789	5.4
69.03424	5.3
69.07065	100.0
70.06590	1.5
70.07393	0.5
71.04986	1.4
71.15374	0.4
71.15723	0.8
72.08149	0.7
74.06033	0.4
79.05486	3.6
80.79572	0.4
81.02937	0.6
81.03414	11.2
81.07053	31.7
82.07365	0.6
83.04980	3.1
83.08649	0.4
84.04513	0.6
84.08135	1.0
85.02901	11.5
85.10221	0.6
86.09708	1.4
87.00821	4.0
91.05480	1.6
93.07055	1.6
95.04979	3.2
95.08605	5.8
97.02887	7.5
99.04449	2.0
102.05553	1.3
105.01877	0.8
105.07042	1.5
107.08580	5.0
109.02876	8.5
109.06506	2.8
109.10157	9.4
111.04420	0.7
119.08596	0.9
121.10160	1.5
123.08096	0.9
123.11699	42.6
124.12078	0.6
127.03913	13.9
127.04816	0.9
129.01848	7.6
131.08536	0.5
133.10123	1.2
135.07977	0.5
135.11745	0.5
136.06177	4.2
137.06000	0.7
145.10130	0.5
147.02879	5.5
147.07941	0.5
147.11644	0.6
151.11172	48.1
152.11549	0.9
153.01849	0.6
155.35271	0.4
213.04019	1.2
230.74068	0.5
250.09375	3.5
286.02356	0.4
295.15579	0.8
298.09882	0.5
399.16379	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	399.1443
Annotation	S-Adenosylmethionine
Peak:m/z	Relative Intensity
51.53360	0.8
54.22480	0.8
55.01869	0.8
55.37312	0.8
56.05033	20.0
61.01152	7.4
66.95189	0.7
67.13719	0.8
69.03422	6.9
70.16180	0.9
71.52861	1.0
71.53288	1.3
74.02441	5.0
74.06075	5.5
75.02691	2.7
80.32555	0.7
84.04486	2.8
86.09681	0.8
92.34016	0.9
94.93016	13.3
94.93600	0.7
97.02885	82.1
102.05535	34.1
128.42990	0.7
135.05420	1.2
136.06172	100.0
136.94121	0.9
137.06531	1.3
145.03174	3.5
162.07758	1.1
163.04234	2.5
188.89577	2.2
204.87016	10.9
212.85173	2.9
225.01173	2.6
226.86688	1.4
232.08299	1.3
240.95001	1.0
248.89551	1.3
250.09344	84.5
251.09560	2.7
264.09048	3.8
294.96161	15.5
298.09662	16.2
381.00217	0.9
383.83368	0.8
385.28336	1.0
399.00943	9.2
399.06305	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	398.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84373	1.1
53.03934	2.5
55.01868	3.1
55.05498	3.8
56.05025	4.5
57.03428	4.7
60.04529	1.9
61.02917	4.7
62.92126	1.0
67.05500	2.0
69.03426	13.4
69.07048	5.6
70.06590	37.5
70.21767	5.3
71.04980	1.8
71.06937	2.8
72.08153	17.9
73.02918	14.3
74.06073	4.7
81.03401	5.6
81.07079	1.5
83.06110	2.4
84.04490	11.4
84.08143	26.2
85.02902	30.6
86.09702	27.6
87.00833	5.4
87.05574	1.7
87.10075	1.4
88.03978	1.9
91.05482	4.3
93.07049	1.5
95.05003	1.5
97.02885	17.8
97.06542	1.1
99.04443	2.7
101.07136	2.8
102.03790	1.1
102.05539	3.6
103.05495	1.7
104.04987	1.7
105.01846	7.2
107.04955	2.8
109.02868	8.1
110.07157	14.6
112.08736	2.4
113.07133	1.3
114.11081	1.2
115.03938	4.0
115.08683	1.6
116.07101	3.2
118.06567	3.7
119.04945	1.8
120.08117	13.9
121.06511	1.2
122.06101	1.7
122.11323	1.1
123.04437	1.7
124.03932	1.8
124.07577	1.7
127.03902	14.3
129.10249	13.5
130.06532	2.0
131.04929	1.4
132.04449	100.0
133.04956	6.8
135.04427	3.1
136.06233	5.3
136.07565	8.8
137.05986	1.9
137.07941	1.4
145.02927	1.2
145.04970	10.5
147.07816	1.6
150.05490	11.6
150.07576	1.3
152.07057	4.7
158.09680	1.5
159.02937	1.8
162.05505	1.2
163.03955	2.1
163.06053	2.8
164.07028	1.8
177.05486	2.8
178.08595	1.3
184.07332	2.9
186.08900	1.4
197.10583	1.3
203.11823	3.5
231.04869	2.1
249.13242	1.4
250.09317	2.7
251.12132	3.4
259.14618	1.3
277.15564	3.7
295.10257	1.4
380.13181	1.9
398.14389	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	396.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05494	1.4
56.05030	2.2
58.06604	0.6
60.04522	0.5
61.01141	1.6
65.83164	0.4
67.05486	1.3
69.03423	0.6
69.07053	1.6
70.06593	5.8
70.27878	0.4
70.83950	1.3
72.08159	3.2
75.56470	0.4
79.05484	1.2
81.03397	0.6
81.07031	1.6
83.05008	0.5
83.06133	0.4
83.08609	0.6
84.04497	1.7
84.08132	4.5
85.02889	1.0
86.09707	8.4
91.05453	2.3
93.07047	1.0
95.04926	0.7
95.06105	0.5
95.08581	0.8
96.08115	0.6
97.06553	0.6
103.05447	1.4
104.05316	3.1
105.06998	1.4
106.06512	0.5
107.04935	1.7
107.08562	0.7
109.06541	0.6
110.07157	3.7
115.05402	0.5
119.04918	0.6
120.08096	10.0
121.10103	0.7
123.04410	1.0
129.06897	0.5
129.10242	2.7
130.06538	0.9
130.47591	0.4
131.04919	1.9
131.08533	0.9
132.08069	0.7
132.71207	0.5
133.06532	0.6
133.10112	0.5
134.05972	0.7
135.04396	1.1
136.07567	1.6
137.05951	3.1
143.08568	0.5
144.05679	0.8
145.06490	1.3
147.04463	0.7
148.05159	0.6
149.05969	4.0
150.06760	2.2
151.07449	0.6
152.07100	2.7
156.05690	0.5
157.06467	1.1
158.09657	0.8
161.05984	1.7
162.05518	0.8
162.06737	2.5
163.07507	1.4
164.07059	0.8
166.08656	0.9
173.05966	2.8
173.12866	1.1
175.07553	1.5
176.07062	11.7
177.05470	0.6
177.07753	1.0
178.08656	5.6
181.06354	0.4
183.08043	0.5
187.07573	1.1
190.08638	3.6
191.09410	61.2
192.09761	2.3
196.09802	0.9
199.07574	1.0
201.09061	1.1
204.10417	0.7
206.09937	1.1
213.09041	0.6
251.12184	3.2
252.12691	0.5
265.15509	1.5
276.07156	0.5
279.11591	0.9
283.06085	1.7
288.19482	0.6
316.19186	1.2
319.17697	1.3
320.18567	2.0
323.09268	0.6
329.17447	0.5
334.20114	100.0
335.20386	6.2
347.88422	0.5
360.21591	0.6
363.20456	0.6
378.22717	25.2
379.23053	1.7
396.18652	1.1
396.23822	31.1
397.09183	0.8
397.24234	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	396.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.3
56.05034	2.8
57.03415	1.7
57.07076	1.8
59.10132	0.7
60.04524	100.0
67.05491	7.4
69.07056	4.2
69.42175	4.5
69.42601	2.6
70.06592	1.4
71.08612	1.7
72.04517	4.0
74.06078	8.9
76.82748	0.8
79.05505	4.5
80.05012	2.7
81.07056	8.3
83.08621	3.4
86.06110	0.8
86.09702	1.0
90.05539	2.1
91.05441	2.2
93.07050	3.9
94.06541	1.1
95.08604	9.3
97.06479	0.9
97.10149	2.0
98.98467	1.5
102.05559	0.9
105.07009	2.2
107.08620	1.3
108.08125	0.8
109.10142	2.7
111.11746	0.9
119.08551	1.5
121.10125	2.1
122.03645	1.8
123.11680	2.0
123.12534	0.8
133.10117	1.9
137.05986	16.9
140.01050	1.7
233.22533	1.0
242.24780	1.2
245.22589	1.5
262.25278	2.8
263.23721	1.0
280.26364	12.0
298.27386	36.5
299.27573	1.1
346.23151	0.9
396.10135	1.4
396.25079	9.8
401.36267	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	396.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.7
56.05035	3.1
57.03432	1.5
57.07079	2.5
58.02990	0.4
60.04525	100.0
61.04876	0.5
67.05502	6.7
69.07069	4.1
70.02927	0.4
70.05930	0.4
70.06251	1.9
70.06602	0.6
71.04971	0.5
71.08645	0.8
72.04513	2.2
74.06078	8.7
79.05490	3.1
80.05016	2.4
81.03419	0.9
81.07050	7.8
82.06597	1.0
83.04993	0.6
83.08606	3.0
84.08165	0.5
86.06089	0.5
90.05563	2.4
91.05473	2.8
93.07042	3.4
94.06580	0.7
95.04959	1.2
95.08605	8.2
95.09176	0.6
96.08171	0.5
97.06533	0.7
97.10189	1.3
97.73511	0.4
98.98477	1.6
102.05541	1.1
105.07043	1.2
107.08588	2.1
109.10145	2.5
111.08115	0.5
111.11750	0.7
119.08603	1.6
121.10165	1.2
123.11732	1.6
133.10176	1.2
135.11725	1.2
137.13260	0.4
140.01083	1.8
147.11723	0.8
149.13306	0.8
151.14842	0.4
161.13313	0.5
165.51305	0.4
219.21216	0.4
225.22192	0.6
242.24803	0.7
245.22705	0.8
262.25293	3.1
263.23853	1.3
280.26358	9.2
280.29282	0.6
298.27393	37.8
299.27698	1.9
378.23981	0.5
394.29175	0.4
396.25092	6.9
397.25885	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	398.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41690	1.4
55.05506	2.8
56.05019	2.0
69.03416	2.8
69.07062	3.7
70.06266	1.9
70.06594	25.8
70.63888	1.2
70.67506	4.0
70.67867	1.9
72.08154	11.6
74.06075	1.8
79.05484	1.5
83.05000	2.6
84.04493	5.6
84.08141	12.2
85.02914	3.4
86.09703	19.4
88.03941	1.3
89.03902	4.1
91.05468	9.9
95.01318	5.4
95.04987	1.2
95.08607	1.5
97.02911	6.8
97.06540	2.5
100.11245	1.6
104.05299	1.4
105.06984	1.4
110.07195	8.4
113.02361	3.1
117.03355	11.7
119.04947	2.3
120.08125	6.9
121.06476	2.1
123.00778	6.2
124.01215	1.2
125.05967	3.7
129.10226	6.2
131.08571	1.5
132.08075	3.6
134.03629	2.1
135.04443	2.9
136.07565	4.1
137.05977	2.4
141.01811	3.9
143.03384	2.6
143.07079	1.8
145.02844	41.3
145.10097	2.5
146.03188	2.6
148.06020	1.4
149.06010	6.7
150.09108	2.1
152.07025	2.3
159.11592	2.0
163.03915	3.2
169.01300	4.5
173.09596	3.3
174.03922	1.6
177.05469	100.0
178.05824	4.5
187.11110	3.0
195.06523	63.9
196.06888	1.9
215.10643	2.8
233.11807	1.6
236.10051	1.5
250.09288	1.7
299.14172	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	396.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01863	5.0
57.03441	5.8
57.07063	1.6
61.02918	4.2
66.12272	1.1
68.99795	1.8
69.03429	40.4
69.30963	10.7
70.06563	1.4
71.04993	4.8
71.27351	1.2
73.02918	6.7
76.39188	1.2
77.36504	1.4
81.03413	21.0
84.08106	1.3
85.02903	100.0
86.09700	1.8
87.00825	49.1
90.11372	1.3
91.03969	1.5
97.02889	31.7
99.04453	10.2
99.34599	1.4
105.01863	66.4
108.04472	1.7
109.02882	29.8
117.01850	2.0
120.08072	1.4
127.03914	63.9
129.01857	3.5
145.04953	30.7
150.66234	1.2
154.49284	1.5
159.02869	9.2
213.03990	1.6
231.04956	16.3
241.73396	1.1
249.06088	5.0
253.80034	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	395.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.1
55.05510	15.0
57.07079	8.1
65.03934	4.9
65.15817	3.6
67.05500	100.0
69.07059	12.2
70.50951	4.0
71.08634	3.7
71.19887	9.5
71.20430	3.4
79.05489	53.4
81.07053	84.7
83.04959	5.1
83.08612	9.1
91.05481	30.6
93.07040	60.2
95.08604	72.5
105.07035	23.9
107.08587	30.4
109.06564	4.9
109.10155	32.1
117.07021	16.0
119.08549	19.9
121.10137	28.1
123.11694	15.3
128.06248	3.9
131.08553	25.4
133.10129	15.2
135.11674	30.9
145.10141	23.9
147.11720	13.6
149.13272	15.3
159.11667	18.8
161.13263	12.4
163.14809	9.1
173.13303	18.5
187.14828	13.1
194.95863	3.9
195.29539	3.8
243.21028	15.6
261.22107	95.6
291.36224	4.2
311.06583	4.0
388.28229	4.8
395.24081	11.8
395.28598	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	395.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01872	7.1
55.05498	4.3
57.03437	6.8
61.02910	10.9
67.05499	3.5
68.99774	11.7
69.03423	13.1
70.06605	5.6
71.51720	3.4
73.02896	6.7
79.05472	7.1
81.03410	14.4
81.07026	6.2
83.04970	6.2
84.04478	5.7
84.08141	3.6
85.02911	40.2
86.09702	9.1
87.00825	20.6
91.05465	9.5
97.02901	7.2
99.04465	6.2
103.03928	13.3
103.05469	8.0
105.01868	7.4
105.07024	6.2
111.04458	5.6
115.05441	19.4
116.41525	4.2
117.07013	26.5
119.04938	3.7
120.08015	4.0
121.06462	4.1
123.04448	7.1
128.06226	15.5
129.01831	13.0
129.07043	32.3
129.10236	4.1
131.04959	17.8
131.08537	8.3
137.05983	44.0
141.06949	13.8
143.04915	5.8
143.08551	6.7
144.05696	10.0
145.06477	34.1
147.02902	4.0
147.08017	6.4
150.56094	3.6
151.07523	11.5
152.06136	5.4
153.06979	9.5
155.08618	4.4
157.06494	28.9
158.07281	8.0
159.02826	3.7
159.08032	4.7
160.05212	24.2
161.06013	8.8
162.06758	4.6
163.07545	12.4
165.07011	9.7
167.08565	11.2
169.06487	12.9
170.07222	6.2
171.08073	11.7
172.05249	11.6
174.06787	15.7
175.07549	100.0
177.09106	48.4
181.06473	14.0
183.07979	5.2
185.05899	4.1
185.09593	6.9
186.06667	7.4
187.07532	93.2
188.08212	5.2
189.04007	6.5
189.09093	67.4
191.07019	6.3
191.10617	8.9
193.08638	8.4
194.07198	3.9
195.08008	27.7
197.06013	6.3
199.07570	15.1
201.09094	44.9
203.10678	13.8
205.08542	7.2
211.07465	6.1
212.08315	9.9
213.09097	26.3
214.06323	3.8
216.07846	6.2
217.08592	14.6
217.12329	5.9
223.07596	8.3
225.09090	7.6
227.10658	43.0
229.08553	16.2
231.10118	24.8
237.09090	9.5
241.08553	5.6
243.10184	10.7
245.11749	9.7
255.10152	45.8
273.11206	31.1
291.12238	9.3
309.05219	3.4
359.11353	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	395.074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00110	1.9
54.74977	2.0
55.05502	4.8
56.05045	3.8
56.96556	4.1
60.04500	3.3
61.01139	4.0
65.03963	2.2
65.52167	1.7
67.05476	2.7
69.03419	6.6
69.07061	7.0
69.66271	10.6
70.06589	100.0
70.42915	2.2
71.05001	3.1
71.06908	2.7
72.08153	23.3
73.02916	5.3
73.15893	1.8
74.06066	3.3
79.05453	2.7
81.03416	7.7
81.07047	4.0
82.06570	2.7
84.04490	9.0
84.08136	36.1
84.96040	3.8
85.02898	12.9
85.08440	2.4
86.09699	25.3
87.10055	3.2
91.05478	34.3
92.05765	2.2
93.07049	4.0
95.04958	3.1
97.02895	5.9
97.42655	2.0
98.97570	13.5
99.04458	2.5
101.07191	2.4
103.05457	3.9
105.07030	4.6
107.04942	3.0
108.48444	2.0
109.02879	3.4
110.07186	6.2
110.97598	3.2
116.98615	8.4
118.06881	14.0
119.04994	2.2
119.08629	3.1
120.08099	39.7
121.06555	4.0
127.03918	5.5
128.98608	6.8
129.10217	22.4
130.06563	6.0
130.08614	3.3
134.99628	3.7
136.07565	9.7
137.06024	3.5
137.07903	2.8
143.00127	2.7
144.10226	2.7
145.05026	2.4
145.10141	6.1
146.99654	6.3
147.04431	2.7
147.11618	4.8
157.10120	3.1
158.99664	3.6
159.08025	2.7
159.09210	7.1
161.01208	4.6
161.12936	2.4
166.08669	2.4
169.13499	2.1
170.99678	3.4
176.55467	1.9
177.00713	4.0
177.05449	3.4
183.11403	2.5
186.12291	4.7
187.11092	4.6
201.12477	2.5
207.03256	3.0
219.01825	6.6
225.04283	2.5
237.02786	11.2
253.12604	2.7
258.18124	6.4
266.14035	3.4
274.12119	6.5
309.06305	5.9
327.07468	36.4
373.19009	5.1
395.07465	28.1
395.15448	3.0
395.22934	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	395.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.6
56.05029	8.6
56.96570	20.7
60.04518	11.5
63.12419	1.8
69.03432	2.8
69.07072	12.3
70.02928	4.2
70.06213	4.1
70.06593	78.0
70.98121	5.0
71.06921	2.0
71.51115	3.4
72.08154	50.9
73.08484	6.1
74.06062	5.8
79.05483	2.7
83.05001	2.6
83.06091	6.4
84.04494	28.8
84.07635	4.8
84.08140	75.0
84.96001	2.9
85.02914	2.9
85.08462	5.1
86.09703	100.0
87.05601	3.6
87.10023	8.0
88.03990	3.6
88.99148	3.1
91.05501	2.4
98.09673	2.4
98.91708	2.2
98.97576	18.7
100.17933	2.3
101.07126	7.0
102.05501	2.6
103.05467	2.7
107.04897	3.1
110.07171	21.4
110.97572	4.7
116.98663	11.5
119.04935	3.6
120.04505	3.0
120.08113	20.5
127.03887	2.5
128.98624	7.8
129.06601	3.1
129.10237	42.5
130.05005	4.1
130.06517	2.3
130.08632	6.9
130.10564	4.0
130.89821	2.1
133.62418	2.3
134.99640	4.7
136.07556	9.0
137.05963	5.4
141.10217	2.7
143.11794	4.3
146.99643	7.6
147.11311	4.4
152.07094	3.3
153.10231	2.6
157.09706	2.8
161.01230	4.5
168.04990	2.3
177.00769	3.2
177.05423	4.1
178.04997	3.0
183.14903	6.8
185.16516	5.0
186.12389	4.1
190.03244	2.6
191.08180	2.4
193.01666	4.0
213.08676	2.2
219.01761	6.4
225.04326	9.4
237.02849	16.6
239.02278	7.1
243.05435	3.4
251.02258	6.7
263.66949	2.3
269.03329	25.4
287.04291	3.8
307.13156	2.4
339.20425	3.6
395.07007	68.8
395.12943	7.0
413.07446	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	394.1973
Annotation	Leu-Phe-Asp
Peak:m/z	Relative Intensity
50.78385	0.2
55.05503	1.2
56.05032	2.4
59.06105	0.3
60.04517	1.0
61.01146	0.9
67.05503	0.4
68.48864	0.3
69.06718	0.2
69.07051	1.5
69.89365	0.4
69.89775	1.1
70.06589	8.7
70.23591	0.3
70.68504	0.3
71.06928	0.6
71.08631	0.4
72.08150	12.8
74.06069	1.2
79.05499	0.4
81.03419	0.4
81.07045	0.4
82.02946	0.3
83.06107	0.6
84.04499	3.6
84.08138	5.7
85.02900	0.5
85.08472	0.4
86.06091	0.3
86.09699	57.8
87.10036	1.3
88.03984	1.0
91.05457	1.4
93.07050	1.0
94.06574	0.3
95.04974	0.3
95.08535	0.4
98.06047	0.3
98.21519	0.3
101.07131	0.5
102.05542	1.9
103.05433	2.7
103.10065	0.2
104.05304	1.9
105.03394	0.5
110.07131	1.9
111.07526	0.3
112.08729	0.6
113.07098	0.4
115.08672	0.3
116.07085	1.0
119.04933	0.8
120.08094	100.0
121.08437	3.2
123.04434	0.5
129.10236	3.3
130.05019	0.3
130.06544	0.3
130.08653	0.2
130.10544	0.3
132.10194	0.3
136.07579	5.3
137.05872	0.3
138.09079	0.3
141.10161	0.3
143.11794	0.5
147.04335	0.3
148.06070	0.5
150.05771	0.4
152.07079	0.5
158.09625	0.6
164.07155	0.6
166.08591	1.4
169.13272	0.5
172.11554	1.5
173.12779	0.7
183.11266	0.6
187.14487	0.5
201.12318	3.1
217.13696	2.9
219.06219	1.4
219.14862	0.9
229.11838	1.8
231.11276	0.4
233.16466	32.4
234.16805	1.6
245.13138	0.6
247.14587	0.4
249.15933	1.8
255.11150	0.4
261.15964	8.0
262.16367	0.4
266.18408	0.4
281.11334	8.9
281.14499	0.6
377.11511	0.5
394.14746	0.5
394.22995	5.6
395.09393	11.1
395.23102	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	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.7
57.03432	5.3
57.07071	31.8
67.05501	11.4
69.07064	8.0
71.08626	25.1
71.43467	1.5
79.05461	0.8
81.07053	16.1
83.08611	11.6
85.10183	14.3
95.08598	22.6
97.10171	5.2
98.98460	58.1
99.11718	1.7
109.10148	11.8
111.11731	0.9
116.99474	1.6
119.75739	0.7
123.11691	4.6
125.13228	0.8
137.13260	2.2
140.01067	0.9
148.84460	0.6
155.01028	100.0
173.02177	1.0
196.03702	1.1
221.22623	1.3
239.23682	8.1
260.00940	0.6
269.94641	0.6
293.46692	0.7
393.23801	0.7
404.86087	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	394.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51093	1.4
55.01677	1.1
55.01871	12.2
55.05507	1.5
56.05022	5.0
58.99580	18.3
60.04520	2.7
61.01142	3.7
62.99081	12.4
67.05504	7.7
69.07066	86.9
70.02960	1.8
70.06594	11.3
70.75030	4.1
72.08148	10.4
73.01132	2.1
74.00664	20.2
74.06062	3.2
75.82503	1.4
76.02222	3.6
76.04012	6.3
83.06086	5.3
84.04504	69.1
84.08144	9.1
85.01134	1.8
85.99810	1.2
86.09707	6.9
86.99068	9.1
87.02667	1.9
88.02218	13.8
88.03981	2.8
91.05474	3.6
93.07032	5.5
94.04178	1.4
99.05576	3.9
101.04244	24.3
102.05536	1.7
104.17635	1.3
109.07647	1.4
110.07133	1.8
110.21848	1.3
111.08096	1.8
112.03962	13.1
112.08625	1.2
115.05755	1.4
116.01681	50.3
116.07079	1.3
117.03704	19.0
119.05280	30.8
120.08121	9.5
121.08443	2.2
127.04990	1.7
127.05797	11.4
129.06606	12.0
129.10211	4.9
130.05005	58.0
131.05408	1.4
136.07584	1.3
137.06038	7.1
142.03265	1.9
144.01138	19.7
144.06407	1.4
144.08386	5.7
145.06847	40.2
147.07666	4.2
148.07672	1.3
150.05556	1.7
151.07536	3.0
158.76244	1.2
162.02202	93.6
162.09447	14.6
167.06964	1.8
174.02217	3.7
175.07555	2.7
177.03226	3.7
181.08563	1.6
190.08958	1.6
191.07297	3.7
230.08453	52.1
247.11136	7.1
248.09520	100.0
265.12167	34.9
319.13223	34.0
336.44397	1.4
394.16623	8.2
394.34891	2.2
397.00186	1.6
400.81604	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	394.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03180	0.5
55.05499	1.4
56.05032	2.7
60.04506	1.2
60.05600	0.5
61.01149	1.7
63.78856	0.4
65.20645	0.5
67.05489	0.6
69.07056	1.5
69.81807	0.8
69.82208	2.4
70.06590	9.9
70.11640	0.4
70.36813	0.4
71.04974	0.4
71.06935	0.4
72.08155	13.6
74.06071	1.4
75.59164	0.5
83.06083	0.5
84.04506	4.2
84.08147	5.6
85.02879	0.4
85.04836	0.5
86.09702	60.5
87.10053	1.1
88.03977	1.1
91.05483	2.0
93.04527	0.7
93.07040	1.1
102.05533	1.8
103.05475	2.7
104.05306	2.0
110.07159	1.8
116.07101	1.4
119.04969	0.5
120.08099	100.0
121.08425	2.6
122.65584	0.6
129.10237	3.6
134.04407	0.6
136.07562	5.1
137.05864	0.5
148.07582	0.5
158.09665	0.5
159.09177	0.5
164.07048	0.5
166.08607	1.6
172.11485	2.0
173.12823	0.7
201.12357	3.0
217.13635	4.1
219.14890	1.0
222.17522	0.5
229.11772	1.7
231.11275	0.9
233.16475	31.6
234.16866	0.6
237.12111	0.5
245.13211	0.7
249.16013	1.5
261.15988	7.3
263.14243	0.5
266.18448	0.7
277.11835	0.7
277.15265	0.5
281.08472	0.8
281.11316	10.7
297.94653	0.5
326.93582	0.6
357.48541	0.4
358.67984	0.4
394.22995	8.6
395.09393	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	393.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92734	27.6
59.23394	26.6
63.82202	23.7
71.25099	52.8
92.18900	29.5
154.97537	24.5
170.47345	27.6
186.75540	23.1
218.59535	25.9
267.05450	25.5
342.72824	26.9
393.05875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.5
55.05510	2.2
56.05025	3.2
57.03435	0.4
60.04502	0.9
61.01157	2.3
62.56700	0.4
64.88424	0.3
67.05470	0.4
68.05003	1.3
69.03420	0.8
69.07044	1.1
70.06223	0.7
70.06590	12.2
70.33355	0.3
70.92702	0.5
70.93041	0.6
71.04971	0.5
71.06901	0.9
72.08150	18.7
73.08474	0.5
74.06060	1.3
81.03393	0.8
83.06095	0.7
83.75426	0.5
84.04497	3.7
84.08137	8.6
85.02898	0.8
86.06017	0.5
86.09702	11.9
87.10034	0.5
88.03968	1.2
89.06368	0.3
91.05448	1.7
95.06071	0.6
101.07122	0.8
102.05522	0.8
103.05436	0.5
104.05330	3.2
105.07027	0.5
107.04915	0.5
110.07151	2.3
110.09644	0.4
111.04443	0.4
112.08739	0.6
116.07082	1.0
119.04930	0.6
120.07262	0.7
120.08096	11.2
121.06536	0.3
121.08463	0.5
122.06014	0.4
124.05066	0.5
124.07543	0.6
129.06567	0.8
129.10222	5.7
130.04970	1.6
130.08687	0.6
132.10182	0.5
136.07571	3.7
137.05945	1.1
140.03397	1.0
143.04745	0.4
143.11810	0.8
146.05948	0.4
149.04581	0.7
161.05988	0.5
161.08224	0.4
166.07253	1.0
166.08611	1.4
169.13358	0.5
171.11331	0.5
172.06052	1.2
173.12827	1.2
183.11366	0.7
188.07317	0.8
189.07774	0.5
201.06415	2.2
202.07205	1.9
203.07994	1.6
204.08784	7.6
215.08044	2.1
216.08794	100.0
217.09360	4.2
217.13673	0.9
218.10339	5.0
219.14909	0.5
225.06436	10.3
226.07216	3.5
227.07915	1.5
228.08717	1.0
228.13438	1.1
229.09538	1.3
229.11893	0.6
229.15410	0.4
230.10338	9.4
233.09637	0.6
233.16467	0.5
234.09799	0.8
240.08786	56.3
241.09483	2.7
244.13664	0.7
246.09875	7.4
254.08873	0.4
255.09988	0.5
258.09961	1.9
261.09061	0.6
262.09280	1.0
265.15497	0.9
268.08276	5.0
272.11453	3.9
272.14212	0.5
283.09323	1.3
300.10898	54.8
301.11087	2.6
311.08798	0.9
315.12042	0.8
333.13135	2.3
343.11478	2.4
361.12546	6.2
375.14081	4.4
376.14557	0.5
393.15134	25.1
394.15536	1.3
394.21848	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	392.2542
Annotation	Leu Phe Leu
Peak:m/z	Relative Intensity
52.36562	0.4
55.05519	0.5
56.05033	0.5
63.40882	0.4
67.05505	0.9
69.03432	0.4
69.07061	6.0
70.06596	2.7
70.67297	1.1
72.08165	0.6
79.05477	0.8
81.03432	0.5
81.07040	0.6
84.04481	1.2
84.08138	0.5
84.58018	0.3
85.02895	0.5
86.09702	82.6
87.05543	0.3
87.10020	1.1
91.05458	1.9
93.07022	2.1
95.08599	0.5
103.05458	3.6
105.07032	0.5
110.07131	0.4
120.08097	100.0
121.08417	2.4
127.03889	0.4
129.10268	0.5
132.10182	1.2
135.11687	0.4
136.07552	0.5
137.05989	0.6
149.02318	1.1
152.07079	0.4
160.07614	0.3
161.13318	0.3
164.07108	0.4
199.18065	1.1
219.06468	1.4
227.17599	0.4
233.16475	51.5
234.16803	2.1
234.77495	0.4
239.16010	0.4
245.18542	3.0
247.06012	1.5
261.15982	10.5
262.16412	0.4
279.16946	1.7
301.11072	0.5
338.26837	0.5
348.21893	0.7
392.24536	0.8
393.18173	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	390.1871
Annotation	Glu Glu Ile
Peak:m/z	Relative Intensity
56.05035	7.5
56.96553	1.6
60.04531	1.5
61.18160	1.0
65.03925	1.0
68.05044	1.1
68.89178	0.8
69.57967	6.0
70.02940	0.9
70.05767	1.0
70.06590	8.0
72.08150	8.2
74.06070	1.4
78.80334	0.9
83.06128	1.3
84.04501	100.0
84.08136	7.4
85.02913	5.2
85.04796	1.0
85.08465	1.3
86.09705	66.6
87.10031	2.2
91.05456	1.1
93.19507	0.9
98.06039	4.3
98.20834	1.0
98.97604	1.8
102.05543	39.4
103.05973	0.9
107.04940	3.1
110.06069	1.2
110.07139	1.8
116.07099	1.2
116.98627	1.3
118.08641	1.3
120.08085	2.7
122.06002	3.9
124.07591	2.1
126.05482	4.8
129.06612	8.9
129.10229	5.3
129.11728	0.9
130.04984	4.0
132.10199	52.7
133.10565	1.1
134.99632	1.4
136.07599	1.4
137.06035	1.5
138.05527	3.0
139.08653	0.9
142.08560	1.2
144.06570	3.6
147.04468	1.3
150.05475	1.9
151.08664	3.0
152.87781	0.9
156.06541	2.2
162.07658	2.6
166.04974	1.3
167.06952	1.8
167.08186	11.0
168.06627	4.6
189.04265	1.4
195.07660	10.9
196.06050	1.1
197.09276	1.8
197.12868	5.7
201.12433	1.1
205.03819	1.5
207.07632	2.3
213.08719	10.9
215.10181	1.1
227.10315	2.0
228.08620	1.5
231.09761	12.6
233.03426	1.6
241.08162	19.2
243.09714	1.4
243.13441	7.1
255.09853	1.1
259.09134	6.9
326.17053	1.3
347.15302	1.1
354.16675	2.2
356.04410	1.3
372.17545	1.8
384.93054	1.1
390.08624	1.5
390.18240	1.3
390.24670	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	391.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.5
55.05512	30.0
57.03436	7.4
57.07070	9.2
67.05502	17.9
69.07069	30.3
69.88207	6.4
71.05027	1.3
71.08625	4.8
73.02227	1.1
74.10130	1.0
79.05492	11.6
81.07056	21.5
83.04977	1.5
83.08620	27.1
84.84183	1.1
85.06534	1.1
85.10173	2.2
91.05479	2.0
93.07046	11.5
95.04990	1.6
95.08605	16.2
97.06540	7.8
97.10175	19.0
98.98463	83.5
107.08604	7.8
109.10159	6.3
111.08083	4.1
111.11718	5.5
116.99510	3.7
118.93501	1.0
121.10132	19.0
123.11687	7.0
125.00056	1.3
125.09648	1.6
135.11674	12.4
137.13264	5.1
137.17902	1.2
139.11139	1.3
149.02364	4.9
149.13260	6.2
155.01038	100.0
163.14783	1.3
196.03754	1.2
219.21078	10.5
237.22108	28.6
246.88049	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	392.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
55.05502	1.3
56.05022	3.1
57.03433	15.5
58.99579	11.9
60.04520	1.1
61.01148	2.4
65.03925	1.6
67.05504	1.0
69.78426	6.5
70.06586	5.5
72.08146	4.5
74.06077	1.7
76.02224	48.8
76.04000	2.0
83.06072	2.1
84.04500	29.4
84.08142	9.8
85.06540	25.1
86.09695	7.1
86.99067	2.2
87.02695	1.1
88.02218	2.8
88.03986	1.3
89.00588	2.4
89.04246	1.6
91.05501	1.7
98.78638	1.0
99.02676	5.8
99.05592	1.3
102.05547	2.4
104.05310	3.2
108.08086	1.2
110.07176	1.9
112.03935	2.0
116.01666	13.0
116.05290	1.2
117.03713	100.0
118.04006	1.3
120.08093	2.4
125.04202	3.6
129.06584	4.7
129.10223	1.4
130.04987	15.0
142.03218	3.4
142.06863	8.6
142.08633	1.0
143.05251	3.8
144.01151	7.6
145.06042	1.4
147.04442	1.7
148.06055	1.2
149.02307	3.1
150.02696	2.0
160.07916	21.8
162.02191	33.9
169.13330	0.9
170.02762	1.4
179.04840	21.7
187.05383	2.4
188.07088	1.3
217.07336	3.2
217.13698	2.9
228.06743	1.2
233.05859	5.0
245.09544	92.8
246.07863	6.6
246.10083	1.3
263.10562	7.7
299.10815	1.1
317.11627	15.0
392.09750	4.1
392.14825	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	392.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.6
56.05027	1.1
60.04518	0.5
61.62957	0.5
67.05496	0.9
69.03442	0.7
69.07069	8.7
69.34582	1.0
69.34988	4.4
70.06593	3.5
72.08155	36.2
79.05488	0.7
81.03371	0.7
81.07050	0.9
84.04505	0.9
84.08157	1.4
85.02900	0.9
86.09705	100.0
87.10026	1.5
91.05462	1.3
92.67775	0.5
93.07045	1.3
95.08612	0.9
97.02880	0.5
100.07609	0.6
103.05470	1.8
107.08592	0.6
109.02863	0.5
110.07174	0.5
120.08102	43.8
121.06504	2.3
121.08465	1.6
121.10133	0.7
129.10213	1.5
130.05003	0.8
131.04930	1.3
136.07616	0.9
137.06006	1.2
139.19481	0.5
149.02420	1.0
150.02704	0.6
157.17117	0.8
163.07529	1.7
175.07545	0.5
178.08560	0.7
180.10196	37.1
181.10539	1.1
185.16493	42.4
186.16911	1.2
213.15974	18.1
214.16183	0.7
228.15114	0.5
230.11795	0.8
233.16505	0.7
245.27257	0.5
260.49478	0.6
279.16998	4.4
348.21722	0.8
360.17847	0.5
392.24307	0.7
394.22525	0.9
419.56824	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	389.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05029	0.7
56.05836	0.3
58.06585	0.3
60.04522	10.7
61.50485	0.3
66.86575	0.3
67.05505	0.5
69.03424	0.6
69.07076	1.9
69.28485	2.7
69.28911	0.6
70.02940	0.7
70.06590	4.8
72.04488	0.5
72.08162	1.6
74.06100	0.4
76.02232	0.5
79.05477	0.4
81.03400	0.8
81.07047	0.7
83.04970	0.3
84.04494	2.0
84.08138	3.8
85.02905	0.6
86.09702	100.0
87.05589	7.3
87.06121	0.4
87.10011	1.9
91.05472	1.3
93.07034	0.8
95.04980	0.6
95.08600	0.5
97.06516	3.3
101.07144	0.6
103.05461	1.4
105.07064	0.5
107.04945	0.4
107.08554	0.6
109.02920	0.4
109.10133	0.3
110.07181	0.9
110.09704	0.6
112.08707	0.3
112.11246	0.5
115.08743	0.4
119.04932	0.5
120.08095	3.1
121.06436	0.4
121.10177	0.4
126.37128	0.3
127.03846	0.5
128.10713	5.8
129.06686	0.3
129.10234	1.8
131.04939	2.5
132.08057	0.3
132.10193	1.5
133.06485	0.5
136.07581	1.1
137.05960	0.9
143.11827	2.1
147.08054	0.5
147.11676	0.3
149.05940	0.4
149.13213	0.4
151.11232	0.4
159.09222	0.5
161.05994	0.3
163.07555	1.4
165.09143	0.3
167.07033	1.3
169.12177	0.4
171.11249	0.5
173.12856	53.8
174.13197	1.1
175.07559	0.7
175.71461	0.3
177.05502	0.5
179.04845	0.4
181.08539	0.8
189.12337	26.9
190.12682	0.6
193.12190	0.4
199.18027	0.8
201.12331	27.3
202.12733	0.7
211.13301	0.6
236.09274	0.3
255.07521	0.3
258.14594	0.7
269.18576	1.1
293.09045	0.5
302.20642	0.5
312.18967	0.4
314.20715	2.8
339.09909	0.6
343.17102	0.4
357.10669	0.4
371.22867	0.4
389.13220	1.7
389.17657	1.3
413.24994	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	389.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.05506	5.8
56.05029	4.1
56.96556	0.6
57.03424	0.6
60.04525	6.1
61.01173	0.7
66.21975	0.5
67.05519	0.6
69.03432	1.0
69.07064	5.8
70.02937	1.0
70.06593	15.8
71.04997	1.0
71.06931	0.5
71.59193	0.7
72.08153	100.0
73.08486	1.3
74.06084	2.8
79.05523	0.6
81.03403	0.8
81.07059	0.7
82.06593	0.9
84.04505	14.8
84.08141	15.9
85.02912	2.3
85.04043	0.6
85.08478	0.6
86.09703	85.0
87.05592	4.6
87.10023	2.4
88.03983	2.2
91.05473	1.8
93.04510	0.5
95.06062	0.9
96.08112	1.5
98.02451	0.7
99.05580	0.7
101.07141	1.9
102.05537	2.9
103.05465	1.2
103.21250	0.5
105.03368	1.9
105.07055	0.7
107.04955	3.7
107.08633	0.6
110.07155	5.2
112.08720	1.8
113.10751	0.8
114.09176	2.9
114.56064	0.6
115.08696	1.1
116.07063	2.5
120.08117	5.4
123.00795	0.6
123.04433	0.7
124.07570	1.2
125.10724	0.6
127.03857	0.6
128.10699	0.9
129.10233	10.6
130.04979	1.3
130.06474	0.9
130.08641	0.7
131.04906	0.6
132.10187	1.2
134.05977	0.6
135.04448	1.0
136.07558	2.2
137.05997	1.3
138.09126	1.2
139.08670	0.5
141.10193	2.4
143.11800	2.0
144.06558	8.9
147.11249	0.8
148.06062	2.5
150.05508	0.7
151.07452	0.6
152.07057	3.1
155.08096	0.7
155.11792	0.9
156.07660	0.7
156.10210	1.5
157.10924	0.7
159.07780	0.9
159.09222	1.0
159.11290	19.7
161.09201	11.9
161.12920	0.6
162.05534	0.7
163.03900	0.6
165.09084	0.9
167.07031	1.3
167.10646	1.7
169.01344	1.0
169.09660	1.5
171.11273	1.4
173.12852	10.8
174.64542	0.5
175.11929	1.0
178.03157	0.5
179.07036	0.5
183.11269	5.2
187.10794	9.7
189.12350	23.2
197.12730	1.1
199.18301	0.7
201.12346	16.7
203.13940	0.8
210.08719	0.6
215.13876	1.8
219.13330	1.6
227.08656	0.9
227.12767	1.4
229.11635	0.6
237.15955	1.2
238.06908	0.6
240.13377	1.3
258.14371	0.8
276.15573	4.0
282.18082	9.9
300.19122	1.3
345.15140	0.9
359.11453	0.7
371.22800	1.6
372.14337	0.7
389.09201	0.7
389.14194	0.7
389.18033	3.9
389.24625	3.2
390.15167	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	390.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66702	1.3
55.00382	1.2
55.01882	1.8
56.05032	2.8
57.20321	1.4
61.01156	2.3
65.03941	1.6
65.87715	1.2
69.33992	6.5
69.34425	5.5
70.06592	7.6
71.96105	1.2
72.08154	4.0
73.86182	1.4
73.86595	1.3
79.05494	6.7
81.03389	1.5
81.07066	2.5
84.04504	3.0
84.08121	4.3
86.09704	11.5
89.03912	1.6
91.05479	16.7
93.07050	1.8
94.75665	1.2
95.04978	3.5
103.05460	5.7
104.05298	3.4
104.06245	2.8
105.03390	3.6
105.07040	1.9
107.04949	15.1
109.06507	1.7
110.07163	2.5
117.03371	2.3
118.04215	1.4
119.04951	12.0
120.08109	8.5
121.06501	8.2
121.18380	1.5
123.04397	4.5
125.05992	1.5
127.07548	1.8
129.10258	3.2
131.04956	9.3
132.05742	8.9
133.02861	4.9
133.06456	3.0
134.03619	4.7
135.04414	13.4
136.07564	2.4
137.05977	13.0
142.04173	1.4
145.02873	6.1
147.04405	32.9
148.36629	1.4
149.02409	1.9
149.05975	5.9
151.03894	3.7
151.07553	4.7
152.06229	1.8
153.05464	3.2
153.07066	2.3
155.05017	1.4
159.04401	6.3
160.05177	8.8
161.02269	2.3
162.03156	4.0
163.03893	6.5
164.04753	2.4
165.05489	11.2
165.07013	7.5
166.06259	1.7
167.03415	1.4
167.07053	20.7
167.08455	2.7
173.02332	1.7
175.03903	7.0
176.51480	1.6
177.05487	15.1
178.06331	2.0
178.07767	6.2
179.03389	2.2
179.07074	3.6
179.08575	10.5
181.04956	11.6
181.06500	4.9
181.08597	2.1
182.05728	4.5
182.07275	8.9
183.07956	1.7
187.03868	2.9
188.04649	9.6
189.05441	1.9
189.07031	2.9
190.02589	1.9
191.03418	2.4
191.07001	3.3
192.04144	2.0
192.05733	1.5
193.04964	15.6
193.06529	5.1
194.05742	12.8
194.07295	3.2
195.08099	4.2
196.08810	3.6
197.06010	5.3
197.08087	9.5
197.09633	4.1
198.05263	2.0
205.04941	26.3
205.06609	2.3
206.05688	13.5
207.06421	16.3
207.08090	9.5
208.08733	2.5
209.06070	3.5
209.09804	2.0
210.06738	15.2
211.07457	2.9
219.06418	3.2
220.05281	1.7
221.04144	13.8
221.06412	10.2
222.06775	2.6
223.07474	4.3
224.08301	5.6
225.09268	19.0
227.06947	2.1
228.10146	2.1
234.06683	2.9
235.07509	10.9
236.08279	4.9
237.05463	3.1
237.07571	5.2
238.06229	12.1
238.08461	6.4
239.06981	5.5
239.08986	1.7
249.05461	5.9
250.06374	1.7
251.07053	3.5
251.10741	2.4
252.07875	6.1
253.08897	28.9
254.09038	2.0
255.06615	5.4
257.07898	2.0
260.10336	1.7
262.06363	2.1
263.07202	11.0
264.07889	3.0
265.04926	2.4
265.08490	1.9
266.05673	7.0
267.06558	5.4
267.10229	4.4
269.08026	1.5
270.08810	5.4
277.04947	2.9
279.06531	2.5
279.10025	2.1
280.07306	4.3
281.08078	40.2
282.08807	5.7
283.06006	5.6
283.09543	3.9
284.07089	1.6
284.10507	3.3
285.11191	26.0
286.11902	1.9
291.06479	4.2
294.04999	2.5
295.09668	9.5
296.10281	8.4
297.07639	2.6
298.08270	9.6
299.09091	5.5
308.06757	4.4
309.07703	10.6
310.08353	2.8
312.09818	3.4
313.10712	31.1
314.11133	1.8
319.07275	1.5
323.09137	40.5
324.09399	1.6
325.07211	1.8
326.07913	5.8
327.12292	13.1
340.09482	9.4
341.10184	100.0
342.10419	5.6
355.11761	19.3
358.10785	1.7
359.11575	1.8
373.12769	52.4
374.13184	2.4
390.15451	40.5
391.15536	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	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05510	7.1
56.05029	3.4
56.96560	1.8
57.03440	1.4
57.07067	2.5
59.86522	0.9
60.04523	23.7
63.27842	1.1
67.05499	5.3
69.03424	4.7
69.07070	6.9
70.02943	1.4
70.06593	24.4
71.04986	2.3
71.06915	1.1
71.51593	1.4
72.08152	67.3
73.08476	1.1
74.06079	12.1
79.05492	4.0
81.07058	9.3
82.06604	1.9
83.04977	2.4
83.08623	1.2
84.04503	9.3
84.08140	17.1
85.02895	6.0
85.06532	8.8
86.09704	100.0
87.04476	1.2
87.05602	3.2
87.10025	1.9
88.04004	2.4
91.05490	5.7
93.07037	11.3
95.04976	2.0
95.08619	5.8
97.02890	1.6
97.06532	3.9
98.06039	1.1
98.09686	1.5
99.04461	1.3
99.05570	2.2
99.08075	3.4
101.07159	2.5
102.05566	1.6
103.05489	1.1
104.07122	2.6
105.07014	5.1
107.04964	3.2
107.08593	25.5
109.06490	4.8
109.10167	7.7
110.07177	4.8
110.09689	2.1
111.08104	2.1
112.08749	2.0
113.07152	1.5
114.09171	1.2
115.08742	1.2
116.01688	1.1
116.07094	2.1
117.06621	1.1
119.08559	4.9
120.08105	6.2
121.06512	4.0
121.10152	11.8
123.08068	3.7
125.09630	1.9
128.10732	1.3
129.06705	1.6
129.10236	11.6
130.04990	1.1
130.08653	1.5
131.04892	1.1
131.08620	7.2
132.10184	16.6
133.10106	9.8
135.04460	1.2
135.08058	4.4
135.11711	2.1
136.07571	2.3
137.09601	3.8
139.11195	4.6
143.11797	23.4
144.10242	1.2
145.05034	1.5
145.06105	4.6
145.10088	3.5
146.11725	2.3
147.04413	1.3
147.11661	3.8
149.09605	6.2
149.13254	12.8
150.13583	1.0
151.11157	6.0
153.09047	1.6
155.11821	1.4
157.13354	2.2
159.07704	2.0
159.09097	1.0
159.11273	5.9
161.13191	1.9
162.02220	1.2
163.11188	1.9
163.14845	7.4
167.10674	3.3
171.11272	13.8
173.13000	19.5
173.55865	1.0
175.11728	0.9
179.14258	2.0
183.11253	2.0
185.12880	3.1
187.10806	5.7
189.12390	3.3
191.10721	3.3
191.14302	21.3
201.12340	18.4
202.12729	1.2
203.03212	2.7
203.13962	2.9
205.11780	6.2
209.00519	2.5
209.11812	2.1
209.15347	13.3
213.07770	1.7
213.12299	2.3
214.06715	3.3
219.13391	32.6
227.01677	4.1
227.12796	3.6
227.16397	22.3
230.14951	1.2
231.17216	1.4
240.13478	3.8
244.09549	1.5
258.14468	14.0
276.15549	5.5
276.62909	1.0
300.19284	1.2
303.07541	1.4
371.22763	6.7
389.04837	2.1
389.24649	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	389.2392
Annotation	Ala-Leu-Val-Ser
Peak:m/z	Relative Intensity
53.03946	0.7
55.01853	0.9
55.05509	5.6
56.05035	6.4
57.03424	1.5
58.06593	2.5
60.04524	6.2
60.05642	0.7
61.01154	1.6
67.05493	1.5
69.03426	1.3
69.07062	5.4
70.02941	1.1
70.06590	30.1
71.04986	0.7
71.06918	1.5
71.57487	0.8
72.08152	51.7
72.56440	0.5
73.08488	1.2
74.06078	23.2
75.05582	0.7
79.05490	1.4
81.03419	1.0
81.07050	2.2
82.06569	1.2
82.07378	0.6
83.04977	1.0
83.06109	1.8
84.04506	10.3
84.08139	18.4
85.02904	2.6
85.06522	1.4
85.08490	0.8
86.06054	0.9
86.09702	100.0
87.05598	2.6
87.10036	2.4
88.03993	2.1
91.05465	6.5
93.07033	1.5
95.04989	1.0
95.08584	1.4
96.08170	0.5
97.02888	1.5
97.06550	0.8
98.06068	0.9
99.04402	0.9
99.05547	0.8
99.08103	1.4
99.09229	0.6
100.07600	1.0
101.07133	2.0
101.10795	0.6
102.05497	2.7
103.05423	0.7
104.05328	1.7
104.07099	11.3
105.07061	1.0
107.04958	1.8
107.08596	3.3
109.10174	1.2
110.06055	0.8
110.07172	4.8
110.09731	0.8
110.25123	0.5
112.08728	1.5
113.07108	1.2
114.05501	0.6
115.08710	2.2
116.01684	1.6
116.07081	2.8
118.08641	0.6
119.04933	1.2
119.08585	1.3
120.05427	0.6
120.06587	0.6
120.08096	8.1
121.02761	0.5
121.06502	1.3
121.08447	0.7
121.10139	1.4
123.08107	0.8
127.08671	1.6
128.10680	0.9
129.10229	13.7
130.05013	1.9
130.06503	0.9
130.08641	2.2
130.09550	0.6
131.05013	0.7
131.08253	2.4
132.08092	0.7
132.10236	1.9
133.06357	0.7
133.10130	1.3
136.07558	3.6
137.05952	1.8
138.05513	0.9
139.03876	0.5
139.08748	0.9
141.06599	1.9
141.10211	1.3
142.04962	1.0
143.11798	7.4
144.01260	0.6
144.10159	0.9
145.06105	1.1
145.09923	1.0
147.04385	0.7
147.07693	0.8
147.11424	0.8
149.09639	1.0
149.13266	1.3
152.07117	0.7
152.10701	0.8
155.08136	1.5
155.11838	0.7
157.09666	0.8
157.10811	1.0
157.13354	10.3
159.07693	1.9
159.09126	0.9
159.11366	1.9
162.02226	1.6
167.07040	0.9
170.06064	1.1
171.11295	5.8
173.09331	1.0
173.12880	5.3
175.11929	1.7
179.06992	1.2
185.09264	0.8
185.12845	6.7
185.16426	0.6
187.10774	7.3
187.14532	0.7
189.12360	1.8
191.10672	1.7
191.14372	2.1
193.01524	0.6
197.12941	0.6
201.12340	5.7
203.03154	0.9
203.10188	0.6
205.11833	16.8
205.13669	1.0
206.08327	0.8
207.06432	0.7
209.00647	1.0
209.11781	1.2
209.15404	1.3
210.11319	0.8
211.11537	0.8
213.12308	0.8
215.10352	1.7
215.13855	1.3
217.15512	0.9
219.13422	7.2
227.01630	1.0
227.12636	0.7
227.16457	2.6
231.16983	4.1
240.13390	3.7
240.17067	0.7
241.15640	0.8
258.14474	3.4
268.16455	0.7
272.15887	0.6
276.15625	1.9
284.19733	1.6
286.14246	1.3
286.17645	3.2
288.20309	1.4
291.06583	0.9
300.19247	2.3
319.04639	1.0
371.22861	4.7
389.05200	0.9
389.13556	1.7
389.17764	2.7
389.24518	3.6
390.15631	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01863	7.2
57.03431	5.0
61.02919	4.8
65.21010	0.9
68.99792	2.0
69.03424	35.9
69.19586	2.0
69.19992	7.0
70.06580	5.5
71.04981	3.8
72.08144	3.0
73.02907	7.2
74.59007	0.8
77.84882	0.8
79.05490	2.0
81.03412	20.6
83.05008	0.9
84.04487	1.1
84.08128	3.8
85.02899	100.0
86.03217	1.3
86.09676	5.2
87.00821	39.0
91.03946	2.2
91.05484	1.5
91.84315	0.9
95.04971	1.8
97.02884	28.0
97.76140	0.9
99.04453	12.4
103.05461	2.2
105.01859	65.7
105.07023	48.3
106.07379	1.2
108.04462	3.9
109.02869	29.8
115.03922	2.1
117.01833	3.0
118.90462	0.9
119.08576	1.9
120.08102	1.7
121.06456	1.5
123.02945	1.1
125.02417	0.9
126.05503	1.4
127.03912	69.8
128.04268	1.9
129.01830	2.8
129.10219	1.3
131.04918	2.1
132.08096	0.9
133.10069	0.9
137.05983	3.7
138.06296	2.4
141.01808	0.9
143.03404	1.0
145.04951	41.0
147.02888	2.5
147.07990	1.5
147.11652	1.7
148.12032	1.0
159.02872	16.4
163.07553	1.3
166.13100	1.7
177.04012	1.4
177.05472	2.0
181.05046	0.9
182.05399	1.1
189.03899	3.8
194.08138	3.5
197.08061	1.7
197.87213	1.0
213.03922	2.6
213.09007	1.5
230.06549	1.9
231.04991	25.8
231.07256	1.8
231.10121	1.4
241.89120	1.0
248.07527	2.4
249.06007	8.4
281.30350	0.9
388.15112	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	389.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90617	1.2
53.03936	2.7
55.01872	1.5
55.05495	4.0
55.16402	1.4
56.05027	6.0
60.04504	3.7
61.17527	1.3
62.12183	1.2
63.91191	1.4
66.05974	1.5
66.34203	1.7
67.70798	1.5
69.03418	2.3
69.07044	4.0
70.02946	2.2
70.06590	24.2
71.16948	2.9
71.49637	1.6
72.08152	34.3
74.06078	10.1
77.03944	1.5
79.05510	7.1
80.45815	1.4
81.03409	3.7
81.07047	1.4
83.06129	1.3
84.04498	14.9
84.08139	33.1
85.02907	3.9
86.06067	2.0
86.09701	56.4
87.05576	5.1
88.03985	18.0
91.05473	2.5
95.04955	6.4
95.06092	1.4
97.97043	1.3
98.02441	1.7
101.07142	2.6
102.05520	4.1
104.05331	2.1
105.03385	95.4
106.03771	2.4
106.06533	10.5
107.04950	50.1
109.02870	7.6
110.02434	2.3
110.07172	6.6
115.08683	2.2
116.03445	3.5
120.06619	1.5
120.08085	5.0
120.36888	1.4
123.04427	3.0
127.03896	2.3
128.10667	2.0
129.10233	21.2
130.05003	1.6
134.06009	11.9
135.04401	35.7
136.07571	3.5
138.05490	1.9
138.09174	2.7
141.10222	5.8
144.06546	4.7
152.07056	100.0
152.67346	1.4
155.11771	5.0
159.11269	1.7
162.07571	4.9
165.08946	1.3
167.06996	2.7
173.12852	6.5
177.05513	2.5
183.11333	4.9
188.17256	1.4
189.12276	2.5
192.06548	1.9
200.13925	19.0
201.12372	6.2
215.14018	1.5
220.06030	11.8
228.13431	4.4
238.07094	30.7
241.09972	1.5
371.16150	3.2
384.04947	1.4
389.17203	4.5
389.24496	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	387.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49582	0.5
55.01853	0.9
55.05510	6.9
56.05032	3.2
57.03437	0.9
57.05817	1.2
60.04530	1.3
67.05515	1.3
68.05032	0.7
68.33128	0.6
69.03431	3.1
69.07069	5.0
70.02964	0.6
70.06588	22.2
71.04985	0.6
71.06917	1.4
71.26386	0.7
71.43106	0.7
71.51398	0.9
71.83550	0.6
72.08152	100.0
73.08470	1.5
74.06078	3.4
76.02225	0.6
79.05472	1.1
79.71535	0.6
81.03400	0.7
81.07056	2.1
83.06118	0.7
84.04501	9.1
84.08144	13.9
85.02897	2.8
86.09702	88.8
87.05585	1.5
87.10070	1.5
88.03995	1.3
91.05459	3.5
93.07078	0.9
94.06548	0.6
95.04959	1.4
97.02886	1.3
98.06036	0.9
102.05511	1.7
103.05457	1.1
105.03378	3.9
107.04935	0.7
107.11004	0.6
108.04440	0.6
109.02892	1.3
110.07173	4.1
112.08720	1.6
113.07130	1.1
114.05515	1.2
115.08666	1.1
116.01642	1.7
116.07092	7.0
119.04916	3.0
120.08070	3.7
123.04394	1.2
125.23169	0.7
127.03876	1.6
129.06601	0.8
129.10242	7.8
130.04987	1.9
130.08624	1.1
131.08139	1.1
132.04471	0.9
133.06090	1.1
136.07515	1.4
137.05916	1.0
138.05484	0.8
142.04993	0.9
143.11780	2.4
144.10233	0.7
147.04375	3.4
149.99393	0.7
150.05473	0.9
155.07004	0.9
159.07626	1.9
160.05045	0.6
162.02089	0.7
164.06985	1.0
167.06972	1.5
168.06560	0.8
171.11249	1.3
171.14922	23.9
171.16365	1.4
175.03926	5.2
176.04277	1.2
177.05518	0.7
183.06491	2.6
185.12779	0.6
185.16560	4.3
189.10620	1.2
189.12334	23.8
199.14420	22.8
199.18036	1.3
207.06509	9.3
207.13811	1.1
208.06926	0.9
210.11200	2.8
211.15376	0.8
213.15912	1.8
215.39099	0.7
217.15439	1.2
245.05818	0.8
259.10986	1.1
267.20667	1.0
272.16022	1.0
312.22675	0.9
332.24380	0.7
356.85947	0.7
387.11609	1.1
387.22379	0.8
387.26855	3.3
388.15012	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	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03942	0.5
55.01865	0.9
55.05499	0.8
60.28912	0.4
65.03934	1.3
66.04717	0.4
67.05500	1.2
69.03419	1.0
69.07049	0.8
70.02945	0.3
70.06573	0.9
71.04971	0.3
71.51536	0.6
72.08143	0.4
72.98193	0.3
79.05486	2.1
81.03403	0.7
81.07041	1.0
83.08608	0.6
84.04519	0.5
84.08121	0.9
85.02887	0.8
86.09700	0.9
91.05489	2.7
93.07034	0.8
94.04176	3.0
95.04970	0.8
95.08624	0.7
97.02863	0.4
97.06528	0.7
97.36745	0.3
103.05453	2.3
105.03371	0.5
105.07030	0.8
106.04177	0.3
107.04956	1.6
107.08605	0.5
109.06494	0.4
109.10162	0.5
110.03637	0.6
111.04433	0.4
115.05466	1.9
116.07033	0.3
117.07000	2.1
118.04190	0.6
119.04927	0.6
119.08584	0.5
120.08137	0.4
121.06466	1.1
121.10139	0.5
122.03651	8.0
123.04412	0.8
123.31028	0.3
124.05164	0.3
125.06026	0.4
130.04143	0.4
131.04921	2.7
133.06496	0.7
135.04416	0.5
135.08086	0.3
136.07570	1.9
137.05972	100.0
138.06271	1.4
139.03880	1.0
142.02553	0.4
143.04924	3.2
145.06480	2.5
145.10236	0.3
147.08015	0.8
148.05167	1.3
149.05965	0.5
151.03917	6.6
151.05029	0.5
151.07445	0.3
152.04593	0.4
153.05479	0.4
155.06038	0.8
157.06328	0.3
161.05959	0.8
163.03906	0.5
163.07518	2.2
165.05443	0.4
165.09140	0.4
167.07039	12.2
171.04414	0.4
171.06514	0.9
172.03938	0.6
173.05983	3.3
175.07538	1.1
176.04596	0.4
177.05482	0.6
181.04951	16.5
191.07028	7.8
195.11395	0.3
201.05585	0.5
202.05643	0.3
203.07088	1.9
204.06592	0.7
205.08560	2.1
219.10030	0.4
221.15349	0.4
233.07990	1.4
235.07457	0.5
235.09567	2.2
246.45329	0.3
247.07526	0.4
250.07930	0.4
257.09454	0.3
270.87665	0.3
293.08115	0.3
305.08072	0.5
319.09790	0.3
337.10703	0.6
347.89429	0.3
351.12259	0.4
355.12454	1.0
357.13303	12.7
358.13702	0.5
369.13348	0.6
387.14368	27.3
388.14636	1.3
404.56219	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	387.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.1
51.02378	0.2
52.25791	0.1
52.29199	0.1
53.03959	0.5
53.04163	0.1
56.59822	0.1
65.03928	0.1
69.03407	0.2
69.41326	1.0
70.06573	0.1
71.05032	0.1
77.03921	0.3
79.05491	4.0
81.03425	0.6
83.05047	0.1
86.04643	0.1
86.09715	0.1
91.05455	0.4
93.07058	0.2
95.04969	1.2
97.02885	0.2
103.05463	2.4
105.07025	100.0
106.07350	2.0
119.04933	1.6
119.05855	0.2
121.06508	0.2
127.03902	0.1
137.06024	0.2
175.01576	0.2
197.88271	0.1
221.92508	0.1
331.12973	0.2
349.16577	0.1
361.81876	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03942	0.5
55.01868	0.9
55.05510	0.6
65.03932	1.9
66.04720	0.6
67.05489	1.2
69.03426	0.8
69.07053	0.6
70.06594	2.5
71.11584	0.9
72.08144	1.6
75.58395	0.3
77.20206	0.4
79.05479	1.7
81.03389	0.9
81.07030	1.0
81.81870	0.4
82.04198	0.6
84.04498	0.6
84.08125	1.6
85.02889	1.5
86.09705	2.6
91.05487	2.5
93.07034	0.5
94.04174	2.7
95.04935	1.2
95.08588	0.3
97.02915	0.8
97.06523	0.9
99.04454	0.4
103.05467	3.1
105.07036	0.6
106.04163	0.5
107.04945	1.7
107.08600	0.5
108.02100	0.8
109.02885	0.7
109.06567	0.6
110.03654	0.7
110.07160	0.6
111.04406	0.5
115.05456	2.7
117.07021	2.4
118.04175	0.6
118.06937	0.4
119.04912	0.8
119.08562	0.4
120.08057	0.8
121.06467	0.8
122.03646	8.3
123.04405	1.1
124.05150	0.4
125.05984	0.7
127.03931	0.8
129.10226	0.7
131.04933	3.8
133.02817	0.6
133.06453	1.1
135.08011	0.5
136.07544	0.6
137.05972	100.0
138.06296	1.7
141.05382	0.5
142.02655	0.5
143.04910	2.4
145.06500	2.6
147.04398	0.6
147.07977	0.4
148.05212	1.7
151.03906	10.2
151.05026	0.7
153.05473	0.8
155.06044	1.0
158.97409	0.6
161.05954	1.2
163.07536	3.0
165.05431	0.7
165.09114	0.6
167.07039	15.6
168.07346	0.4
171.06532	2.0
173.05977	3.8
175.07584	1.2
177.05458	0.9
179.06908	0.5
181.04941	26.0
187.07452	0.5
191.07016	10.1
193.08577	0.5
203.07025	2.2
205.08569	1.8
207.06480	0.5
207.10175	0.5
221.07979	0.5
233.08101	1.5
234.98981	1.3
235.07529	0.8
235.09645	1.9
249.09085	0.5
252.99803	0.4
265.08545	0.4
267.10287	0.5
307.05649	0.4
309.11191	0.6
314.11566	0.4
327.12589	0.7
337.10693	1.0
351.12241	1.1
355.11823	1.5
357.13300	11.5
358.13647	0.7
369.13425	1.5
387.14407	27.0
388.14725	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	387.2527
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.03929	3.9
55.01864	6.8
55.05508	15.5
56.16174	1.0
57.03424	2.9
57.07063	4.2
59.28120	1.0
65.03948	2.2
67.05501	29.3
68.99762	1.2
69.03423	8.7
69.07066	15.9
71.01379	1.3
71.04977	3.1
79.05486	25.2
81.03410	17.9
81.07051	30.3
83.04962	6.5
83.08617	6.6
83.75785	1.2
85.02895	2.9
85.06536	2.2
91.05472	35.1
92.05795	1.2
93.06481	1.8
93.07038	26.8
95.01313	2.8
95.04958	10.3
95.08596	23.5
97.02883	5.3
97.06514	3.3
97.10175	4.2
99.04465	2.8
99.56023	1.1
103.05423	2.1
105.07025	32.3
107.04947	6.8
107.08596	12.3
109.02888	2.7
109.06509	3.5
109.10153	11.0
111.04439	5.9
111.08101	1.4
115.05458	4.6
116.06239	1.1
117.07015	22.3
119.04920	1.5
119.08571	23.7
121.06493	5.0
121.10117	10.7
123.04427	9.9
123.08105	2.1
123.11725	1.8
125.09619	1.9
128.06195	9.4
128.25604	1.0
129.07004	22.6
130.07718	1.4
131.04922	3.8
131.08553	28.4
133.06499	7.3
133.10115	16.8
135.04410	1.6
135.08026	3.5
135.11690	5.4
137.05966	3.3
137.09668	2.1
137.13243	1.0
141.06975	7.8
142.07796	6.3
143.08551	21.9
144.09338	1.5
145.06508	10.8
145.10103	21.7
146.10458	1.5
147.04364	1.6
147.07985	7.2
147.11664	11.5
149.05949	3.4
149.09595	3.5
149.13257	3.6
151.07565	1.9
153.06999	2.7
153.09137	1.3
154.07732	3.1
155.08548	11.3
156.09311	1.8
157.06476	5.6
157.10118	17.5
158.07196	1.2
159.08043	7.9
159.11696	17.1
161.05946	3.1
161.09583	6.4
161.13229	4.8
163.07574	2.9
163.11104	1.8
163.14868	1.4
165.06955	1.7
165.09105	1.5
166.07806	1.7
167.08565	4.1
168.09367	1.4
169.10127	11.1
170.07388	1.5
171.08054	7.5
171.11688	15.3
173.05989	2.0
173.09593	4.6
173.13254	11.7
175.07541	4.2
175.11183	4.2
175.14832	3.3
178.07678	1.1
179.08546	2.0
181.10124	5.3
183.08083	5.9
183.11670	9.7
184.08893	1.5
185.09563	6.6
185.13206	9.0
187.07582	2.6
187.11160	4.3
187.14821	5.7
189.09210	2.8
189.12750	3.6
191.10612	1.7
193.10130	1.7
195.11700	4.8
197.09595	2.9
197.13243	6.7
198.10278	1.2
198.13777	1.4
199.11130	6.7
199.14801	6.8
201.09079	2.2
201.12766	4.2
201.16342	2.1
203.10651	2.7
203.14352	1.8
205.12219	1.5
207.11726	1.8
209.13290	4.0
211.11197	3.9
211.14854	3.3
213.12749	6.0
213.16418	3.4
215.10645	1.6
215.14235	1.6
217.12251	3.1
221.13329	1.2
223.14886	2.2
225.12784	3.5
225.16408	2.0
227.14330	3.5
231.13692	2.4
235.14894	1.6
239.14317	2.9
239.18092	1.3
241.15903	1.8
241.19415	1.2
245.15350	1.4
253.19640	1.1
257.15286	1.2
259.20703	1.8
271.17194	1.5
271.20413	2.1
273.18359	1.2
277.21616	5.0
281.18872	1.2
283.20416	1.4
285.18564	2.2
285.21948	1.8
285.83490	1.2
287.20084	1.6
287.23697	1.7
289.21655	4.1
297.22137	3.0
299.20142	1.8
299.23749	2.7
301.17877	1.5
301.21582	2.8
303.23108	3.3
309.22113	1.1
310.16595	1.1
313.21558	2.7
315.23291	2.7
323.20166	1.2
323.23697	3.9
325.21948	1.5
327.23117	7.1
329.21359	1.2
333.22089	1.8
341.24765	11.8
343.22870	2.7
345.24258	1.5
351.23181	17.7
359.25839	1.7
369.24237	73.1
370.24490	6.1
387.25290	100.0
388.25558	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	387.2013
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
55.05506	5.6
56.05041	6.4
57.03439	1.2
60.04523	2.2
61.01154	1.3
67.05499	3.3
69.03427	3.2
69.07054	5.3
69.47802	7.2
69.48219	2.4
70.02959	1.4
70.06590	34.9
70.52780	1.5
71.04980	1.5
71.06920	1.8
72.07761	1.7
72.08154	29.5
73.08478	1.1
74.06071	1.7
79.05483	4.3
81.03426	3.0
81.07057	2.7
82.06566	1.6
83.06077	1.6
84.04501	25.5
84.07645	1.6
84.08141	25.7
85.02892	4.9
85.06558	1.6
86.09704	100.0
87.05585	5.6
87.10022	2.8
88.03976	2.3
91.05473	7.1
93.04529	1.2
93.07045	7.5
95.04949	3.5
95.08585	4.8
97.02901	2.0
97.06516	2.2
98.05991	1.7
99.04465	1.8
101.10787	1.7
101.54398	1.2
102.05537	3.2
103.05426	3.5
104.05322	3.6
105.06995	5.3
107.04929	4.4
107.08583	14.7
109.02838	1.5
109.06521	3.6
109.10140	4.5
110.07166	6.0
112.08720	2.8
113.07079	1.4
114.09173	1.3
115.08748	2.4
116.07070	4.0
119.04926	2.3
119.08555	6.8
120.08111	18.6
121.06495	3.8
121.10135	6.7
123.04444	1.7
123.08112	2.9
129.10236	12.7
130.04944	1.8
130.08621	2.2
131.08565	2.0
132.10194	1.5
133.10146	1.9
135.04544	1.3
135.08046	2.3
136.07535	3.9
137.06010	1.8
137.09618	10.1
143.08495	2.0
143.11771	1.7
144.06572	22.9
144.10237	1.3
145.05026	1.3
145.06497	1.4
146.06364	1.8
146.48035	1.3
147.07994	2.8
147.11685	7.1
149.09595	8.0
149.13210	2.0
153.05421	1.2
156.07654	1.3
157.13371	9.3
161.09229	28.6
161.13170	4.7
163.11203	1.9
163.15968	1.2
165.09099	4.5
167.06992	5.0
167.10657	12.7
174.05815	1.2
177.05461	3.3
177.12706	9.5
181.04932	2.8
185.12819	9.5
185.16428	2.8
187.10742	1.9
189.12766	12.8
199.17992	6.0
203.06998	2.4
203.13966	7.5
207.06572	2.0
207.10190	2.3
207.13811	15.7
213.15910	2.8
219.11255	1.6
225.14888	11.2
227.17523	2.1
244.16530	3.2
274.17505	3.5
301.06708	1.6
316.09610	1.7
343.13467	4.2
369.13336	1.6
387.11716	10.0
387.16269	6.6
387.27060	6.1
399.61099	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	387.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	4.3
55.05508	10.1
56.96552	17.7
67.05515	4.9
69.03435	6.2
69.07052	8.8
69.78124	22.0
70.06579	27.5
72.08146	8.8
77.97135	4.1
81.03403	4.6
83.29493	3.8
84.04494	5.2
84.08144	19.8
84.96010	16.5
85.02895	19.5
86.09697	32.7
91.05482	14.5
95.08556	4.6
96.14896	4.2
97.02890	4.4
98.21429	7.6
98.97582	57.6
105.07042	4.6
107.04945	5.4
107.08565	4.5
109.06576	4.6
110.97572	10.4
116.98622	32.6
117.48828	3.6
121.10133	4.9
122.05942	5.0
123.08047	7.7
125.05920	3.7
127.03917	4.4
128.98592	16.8
131.00240	5.5
131.04849	4.7
133.10139	4.4
134.99625	10.0
135.04387	4.2
137.05988	41.9
143.00188	7.4
145.04932	6.5
146.99667	10.8
151.03941	4.3
151.07513	18.6
152.98500	5.4
158.99640	13.4
161.09616	4.7
162.99141	5.9
163.11133	7.1
167.07030	28.6
170.99687	5.6
177.00710	12.1
177.05441	6.5
181.04993	7.0
181.12094	6.1
207.13809	14.7
219.01717	22.3
237.02797	52.7
269.58023	4.6
301.09586	49.6
319.10651	100.0
320.10999	5.1
342.12311	10.9
343.10831	13.5
355.12338	5.7
357.13422	8.6
361.11646	17.5
387.09763	22.1
387.14380	24.4
387.19846	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	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03933	0.7
55.01872	0.6
55.05497	0.4
58.43343	0.3
61.67521	0.2
65.03936	2.0
66.04716	0.5
67.03452	0.3
67.05490	0.9
69.03419	0.9
69.07069	0.5
70.06590	1.6
70.48670	1.0
71.29197	0.3
72.08125	0.8
79.05495	1.9
81.03416	0.6
81.07034	1.1
82.04195	0.4
84.04472	0.3
84.08134	0.8
85.02913	1.4
86.09715	1.4
91.05494	1.9
93.07030	0.5
94.04191	2.8
95.04986	1.4
95.08596	0.6
97.06518	0.5
103.05463	4.1
105.03352	0.5
105.07025	1.1
106.04196	0.3
107.04958	1.8
108.02102	0.5
109.02914	0.4
110.03628	0.5
110.07064	0.3
111.04455	0.3
113.53388	0.3
115.05451	1.7
117.07025	2.0
118.04141	1.2
119.04952	0.7
119.08591	0.4
120.08070	0.6
121.06482	0.9
121.10249	0.3
122.03637	8.3
123.04392	0.9
124.05203	0.4
125.05946	0.8
127.03918	0.4
129.10219	0.5
130.04156	0.5
131.04903	2.7
133.02870	0.7
133.06502	0.9
135.04384	0.4
135.08032	0.3
136.07556	1.4
137.05968	100.0
138.03293	0.4
138.06311	1.8
141.05426	0.4
142.02577	0.6
143.04915	2.8
145.06474	2.5
147.04434	0.4
147.08034	0.5
148.05170	1.8
149.05908	0.6
151.03896	10.1
151.04985	0.9
153.05508	0.5
155.06032	0.7
160.05124	0.5
161.05974	1.1
163.03900	0.3
163.07538	3.4
165.05399	0.6
167.07030	12.4
167.08452	0.7
168.07484	0.3
171.04430	0.3
171.06528	1.3
172.03951	0.4
173.05981	3.7
175.07515	1.1
176.04713	0.5
177.05536	0.5
177.08902	0.3
181.04942	22.2
187.07617	0.5
187.09158	0.3
191.07021	10.7
191.08447	0.4
195.06438	0.3
203.07069	1.9
204.06451	0.4
205.08549	2.1
209.08058	0.5
221.08092	0.5
233.08066	0.9
235.07576	0.4
235.09634	2.4
246.12672	0.3
265.08707	0.4
323.09344	0.4
325.10608	0.4
327.12457	0.4
339.12292	0.4
351.12347	0.7
355.11935	0.7
357.13312	13.2
358.13416	0.5
387.14352	25.7
388.14639	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	386.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45975	0.8
53.03934	2.0
55.01858	2.0
55.05504	3.8
58.99577	3.7
65.03921	0.9
67.05502	6.7
67.70150	0.8
69.03424	1.1
69.07067	100.0
70.06578	3.2
70.07377	1.1
70.21151	3.5
70.21488	1.1
72.08142	2.4
73.06177	1.7
73.06551	17.0
76.02229	10.1
78.98851	0.9
79.00429	0.9
79.05488	24.4
81.03412	5.9
81.07053	6.7
83.04960	1.3
84.04505	3.2
84.08122	1.1
85.01148	1.0
85.02900	1.0
85.06529	0.9
86.00655	1.8
86.09698	3.9
86.99039	1.2
91.05482	7.2
93.07043	5.3
95.04961	2.1
95.08611	4.1
97.02897	1.4
97.06533	30.7
103.05474	1.2
105.00099	3.2
105.07021	6.2
106.25242	0.9
107.04950	1.5
107.08595	24.1
109.02891	0.9
109.06524	1.7
109.10178	1.7
115.07565	11.7
116.10738	1.3
117.07014	2.2
119.04967	2.1
119.08570	4.3
120.08150	1.0
121.06512	4.5
121.10129	1.9
122.02731	28.6
122.03566	1.3
123.11708	1.3
125.05965	5.5
129.10245	1.3
131.08588	4.4
132.01161	2.7
133.10149	3.4
135.07986	0.9
135.11668	2.0
137.05971	17.7
143.07033	90.6
145.02827	1.1
145.10117	5.3
149.05997	1.1
149.09688	1.4
159.11696	1.7
161.08087	53.7
163.07448	1.2
163.11087	1.1
167.07040	5.2
175.03862	1.2
175.07536	1.0
177.05511	1.2
181.04979	3.4
193.08664	1.0
200.07536	1.2
201.05592	2.1
201.16422	6.3
211.14880	1.4
228.10526	9.4
229.15805	4.5
246.07980	1.7
247.16962	14.6
249.07581	1.7
265.18042	6.0
299.12808	1.1
357.13187	3.5
386.15579	1.4
386.19843	7.5
387.14441	7.7
400.69247	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	386.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
55.05501	0.3
57.03437	1.0
60.04509	0.3
63.02362	0.5
65.03940	0.3
69.03415	0.9
69.07066	0.6
69.76049	1.5
70.06590	4.2
71.06891	0.4
72.08157	2.7
74.06043	0.4
75.57539	0.3
79.05493	0.4
81.03414	0.6
84.04491	1.1
84.08153	2.4
85.02895	1.5
86.09707	5.1
87.00829	0.3
87.10014	0.5
88.03957	0.3
89.03353	0.4
89.03912	7.8
90.44165	0.3
91.05482	1.9
98.97559	0.3
103.05433	0.6
106.04137	0.5
107.04947	1.1
109.02871	0.6
110.07149	1.8
111.65074	0.3
115.05468	0.7
116.07061	0.5
117.03375	26.0
117.07022	1.3
119.04930	1.0
120.04460	2.2
120.08086	1.0
121.02843	1.0
123.04381	0.4
125.06003	0.3
127.03919	0.8
129.10248	1.5
130.04890	0.4
132.04416	0.6
134.03668	1.7
134.05986	0.9
135.04454	2.3
136.07587	1.4
137.05954	1.2
138.05492	1.2
143.04886	0.6
143.11801	0.4
145.02840	69.5
145.06467	5.9
146.03152	0.7
147.04381	1.0
148.07617	0.4
149.05963	8.2
150.83040	0.3
155.06067	0.5
158.06029	0.6
159.02933	0.4
159.04288	0.5
160.05203	0.4
161.05946	0.3
162.03131	9.2
162.05388	2.2
163.03845	1.1
163.66119	0.3
167.07066	1.6
168.07373	0.5
171.04448	0.7
173.05933	0.6
173.12862	0.4
174.03053	0.9
175.03918	1.6
175.07533	0.8
176.04692	0.5
177.05460	100.0
178.05882	1.5
182.05980	0.5
183.38258	0.3
186.05525	1.7
187.07457	0.7
188.07057	1.7
191.07079	0.4
193.09843	0.4
201.05510	0.6
203.07071	1.1
207.13794	0.6
210.05573	0.8
215.07010	0.8
219.06505	17.2
228.06548	0.8
233.08151	0.7
246.07690	0.5
251.09134	47.2
251.46404	0.3
252.09496	0.9
330.10553	0.3
386.11319	0.6
386.15912	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	386.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05519	0.4
56.05031	0.5
61.01151	0.6
61.13693	0.3
62.87919	0.3
63.02381	0.6
66.24527	0.3
67.05522	0.3
69.03418	0.9
70.06591	14.6
71.06931	0.4
71.60144	0.4
72.08159	1.4
78.04707	0.6
79.05498	0.7
81.03421	0.5
81.07043	0.6
84.04501	1.3
84.08127	1.4
85.02906	1.3
86.09710	1.8
89.03917	9.4
91.05482	1.4
93.07051	1.0
95.04976	0.9
95.08608	0.4
97.02897	0.5
99.04433	0.3
100.86334	0.3
101.07147	0.7
103.05463	0.5
105.07021	0.6
106.04095	0.6
107.04939	0.4
109.02906	0.6
110.05923	0.3
110.07157	0.6
116.05163	0.3
116.06351	0.3
116.07095	1.2
117.03379	25.0
117.07036	0.3
118.03709	0.5
118.06866	4.3
119.04958	0.6
120.08099	1.1
121.06490	3.5
129.10281	0.5
130.06563	1.1
131.08646	0.4
134.03641	1.3
135.04410	2.1
136.07573	0.5
137.05995	3.3
145.02847	57.0
146.03191	1.6
149.05980	8.3
149.07141	0.7
151.03798	0.4
158.06023	0.5
159.09209	1.1
161.06020	0.4
162.03110	0.4
163.03903	0.8
163.08981	0.5
164.07062	0.5
167.07062	1.6
173.05969	0.6
175.03946	0.4
177.05469	100.0
178.05829	2.9
181.04930	0.8
181.41960	0.3
183.11368	0.4
186.05460	2.1
191.06918	0.3
201.05475	2.1
202.05797	1.8
204.88197	0.3
209.06760	0.4
213.12424	0.8
233.08145	0.3
246.12860	0.4
274.12250	0.9
357.13306	0.5
373.19089	1.1
386.13123	0.7
387.14478	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	384.1876
Annotation	dihydrozeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.52407	0.4
55.05493	0.8
56.05018	0.9
56.07140	0.4
57.03431	0.6
61.02924	0.7
63.25422	0.4
69.03407	1.9
69.07065	3.1
69.71422	1.3
69.71838	1.4
70.06587	5.6
72.08144	2.4
81.03390	1.0
83.06084	0.5
84.04481	1.2
84.08147	4.1
85.02897	3.1
85.08453	0.5
86.09710	2.6
97.02882	1.4
100.81165	0.5
107.04924	1.1
110.07165	2.6
112.08764	0.5
113.45718	0.4
116.07075	0.6
119.04942	0.5
119.45477	0.5
120.08026	0.9
120.11224	0.5
121.06445	0.4
122.06069	0.4
127.03912	0.8
129.10228	1.5
131.04866	0.5
132.11116	0.5
132.33606	0.5
134.44237	0.5
135.04387	1.2
136.06177	35.1
137.04536	2.0
137.05731	0.6
148.06160	5.4
152.07016	1.0
155.05630	3.3
161.06006	0.6
162.05460	0.5
163.03905	2.4
164.07091	0.5
166.07185	1.1
176.07022	0.6
181.04927	1.7
204.12428	1.0
214.12616	0.6
222.07561	1.8
222.13487	100.0
223.13786	2.5
284.09045	0.7
295.08344	0.7
311.89053	0.5
384.18753	40.7
385.19031	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	384.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55956	0.4
54.32782	0.3
55.05490	0.7
56.05016	1.0
57.03429	0.7
60.04506	0.8
61.13061	0.4
67.05428	0.5
68.77052	0.4
69.03429	2.2
69.07041	1.1
69.79426	1.9
70.02923	0.4
70.06590	11.3
71.06905	0.8
72.07823	0.4
72.08155	4.9
74.06077	1.1
79.05485	0.6
83.06097	0.7
84.04501	2.2
84.07634	0.5
84.08138	7.1
85.02895	2.9
85.04803	0.4
86.09700	8.7
87.09989	0.8
89.03913	3.1
91.05463	1.6
95.01318	5.3
95.04958	0.7
96.04454	0.4
97.02892	8.0
97.06544	0.3
98.09762	0.5
98.20879	0.6
101.07148	0.4
102.05477	0.4
106.66482	0.4
107.04944	2.1
110.06044	0.4
110.07162	5.3
111.04469	0.3
112.08731	1.2
113.02360	5.2
116.07084	1.1
117.03363	4.3
117.06973	0.4
119.04895	0.8
120.08115	2.4
123.00784	8.0
125.02315	1.4
127.08656	0.8
129.10249	2.9
130.06493	0.8
135.04407	13.1
136.07565	3.0
137.05983	0.7
141.01822	5.3
143.03391	3.6
145.02844	10.4
145.03915	0.4
152.07088	0.8
155.08127	0.6
159.09163	0.7
160.07539	0.4
163.03893	100.0
164.04225	1.5
169.01332	4.3
175.08714	0.7
181.04950	55.2
182.05325	0.9
183.14920	0.5
187.02397	1.1
201.05501	0.4
217.08629	0.6
221.09285	0.5
222.07512	0.4
231.97809	0.4
271.14932	0.4
292.37488	0.4
315.54761	0.4
384.20709	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	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26320	0.7
53.03953	5.3
55.01868	6.9
55.05498	2.9
56.05030	2.2
57.03436	4.8
57.07068	1.9
60.04521	1.3
61.02663	0.9
61.02929	6.9
63.04495	1.1
68.99789	3.4
69.03429	32.4
69.07053	1.8
69.90678	2.1
69.91084	2.4
70.06595	14.3
71.04990	3.9
72.08149	4.6
73.02922	7.1
79.05500	1.1
81.03418	25.7
81.07071	1.1
83.01343	1.4
83.04977	0.9
84.04504	3.3
84.08141	6.7
85.02905	100.0
85.41451	0.8
86.03221	1.6
86.09706	11.6
87.00827	39.0
87.04462	1.3
87.05520	0.9
87.10012	0.8
91.03961	1.8
91.05435	4.1
95.08605	0.8
97.02891	33.9
97.06516	1.4
98.97573	2.8
99.04462	15.5
101.02415	1.5
102.05543	1.3
105.01865	81.3
105.07026	1.1
106.02171	1.3
107.04920	2.9
107.08623	0.9
109.02879	31.6
109.06532	1.0
110.03132	1.1
110.07163	3.8
112.08719	1.2
115.03978	1.0
116.98627	1.8
117.01888	2.4
118.58037	0.8
119.04942	1.0
119.10664	4.5
120.08097	5.3
121.06509	3.0
123.02966	1.3
123.04387	1.1
127.03918	70.4
128.04245	1.7
129.01852	3.1
129.10248	2.7
133.06422	1.1
134.99634	1.4
135.04388	1.9
136.07590	3.0
137.05966	3.8
138.05502	1.0
144.06488	1.4
145.03795	1.7
145.04958	34.7
147.02887	3.2
147.04410	1.1
149.09570	1.3
152.07018	3.4
153.05452	3.3
159.02882	14.9
161.09244	0.9
163.03972	1.3
167.06996	1.5
173.05942	1.5
177.00783	1.5
177.05550	1.4
186.03270	1.3
189.03941	3.9
189.12662	0.9
201.05461	10.2
205.12248	2.9
213.03899	4.9
221.12866	1.0
223.13295	1.1
227.12762	1.4
231.04948	21.9
249.05992	6.5
322.18985	1.2
323.09311	1.2
353.10098	1.4
384.15326	1.5
385.12778	3.9
385.17853	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	384.115
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01849	1.5
56.05015	0.3
57.03432	2.5
60.04503	0.5
61.02905	0.7
69.03407	1.1
70.06561	1.4
70.55704	0.7
70.56016	0.5
71.01327	0.4
72.08129	1.2
73.02901	0.7
83.06071	0.3
84.04491	0.9
84.08112	1.4
85.02893	1.7
86.09689	1.0
87.04469	0.3
97.02863	0.8
99.00770	0.6
110.07176	2.3
115.03900	0.7
119.03522	0.4
120.08052	0.5
121.05087	1.2
129.10248	0.9
133.04968	0.6
135.06613	1.5
136.06183	17.3
137.04573	0.7
148.06177	7.1
151.03882	0.8
156.07590	0.5
160.06227	0.4
161.04602	0.3
161.05919	0.7
162.07744	34.3
163.03885	1.8
163.08095	0.5
164.05614	0.4
177.50987	0.4
181.04909	0.5
188.05670	13.7
192.05157	17.9
206.06746	6.6
234.06203	12.0
234.08534	0.5
251.08945	0.4
252.07266	100.0
253.07568	2.6
273.44855	0.3
347.41599	0.4
384.11505	23.1
385.11624	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	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40037	6.3
52.62820	7.6
52.69923	7.5
53.03929	7.2
55.01838	7.8
55.05493	10.9
57.07064	14.7
57.41322	5.8
59.04997	10.0
61.96872	7.8
67.05488	43.8
69.03417	15.2
69.07072	8.6
69.30032	6.1
70.54554	6.3
71.08654	8.2
71.51786	6.1
71.52142	7.8
79.05479	19.9
81.07053	34.4
82.06816	7.0
91.05463	48.7
91.22974	6.8
93.07038	100.0
95.04949	26.5
95.08615	42.5
97.06500	9.4
105.07032	68.7
107.08613	39.6
109.06513	21.4
109.10155	36.4
117.06999	13.6
119.08566	48.4
121.06497	21.1
121.10150	33.9
123.08041	24.6
128.06229	8.5
129.07007	15.7
131.08554	20.1
133.06490	9.2
133.10115	22.0
135.08046	19.7
135.11577	9.1
137.09579	7.4
141.63655	6.5
142.07756	25.0
143.08521	26.0
145.10121	34.6
147.08026	28.3
147.11687	12.0
149.09634	37.3
150.10229	8.7
151.07527	32.6
157.10124	39.7
159.08052	10.1
159.11687	24.1
160.65921	7.2
161.09596	29.3
161.13266	12.6
163.11168	10.8
165.09094	44.2
169.10129	10.8
171.11693	9.1
173.09552	14.3
173.13213	11.8
175.11150	19.4
175.14738	8.5
177.09068	14.9
181.08484	8.4
181.10080	6.8
185.13211	14.6
189.12633	8.6
197.13083	7.7
201.12762	8.7
203.14316	25.7
207.13875	10.1
209.15407	7.7
213.12830	7.6
221.15331	82.5
233.15167	8.7
234.16092	20.7
298.96011	6.9
347.49182	8.5
365.24792	9.5
374.81479	8.5
383.25775	70.7
384.26181	11.4
394.14355	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01867	3.7
55.05514	14.0
57.07064	12.5
59.05000	7.5
65.03936	4.8
67.05505	40.1
69.03428	14.0
69.07064	10.9
69.95362	11.4
71.04979	5.9
75.38503	2.6
79.05489	23.8
81.07050	38.2
83.04968	6.5
83.08604	4.2
85.06537	8.2
91.05476	47.2
93.07043	90.3
95.04967	28.5
95.08073	2.9
95.08617	41.5
97.06001	2.6
97.06490	12.8
98.21511	3.3
101.68458	3.1
103.05479	2.9
105.07027	76.5
107.04981	4.4
107.08588	34.9
109.06519	18.6
109.10155	35.2
111.08077	9.5
115.05460	3.5
116.06221	3.8
117.06996	8.4
119.08572	57.9
121.06509	13.8
121.10152	41.8
123.08073	30.5
128.06215	6.2
129.06993	11.5
130.07767	4.8
131.08585	22.3
133.06522	5.2
133.10129	28.1
135.08063	19.1
135.11707	4.9
137.09627	8.8
141.07037	3.5
142.07776	17.8
143.08562	22.8
144.09303	4.3
145.10117	39.0
147.08047	28.6
147.11682	16.0
148.08838	3.8
149.09625	21.6
149.13155	3.3
151.07529	42.8
155.08551	5.7
156.09364	7.7
157.10135	37.6
159.08038	7.2
159.11699	19.6
160.08804	4.6
161.09610	21.1
161.13229	5.0
163.11226	8.4
165.09103	48.7
170.10968	5.2
171.11696	6.8
173.09625	10.4
173.11815	3.5
173.13226	10.4
175.11162	22.3
175.14774	6.7
177.09138	7.4
179.10637	3.1
179.14310	2.7
183.11687	7.1
185.13261	16.9
185.14662	2.7
187.11151	6.2
187.14792	3.8
189.12740	11.3
195.11652	6.5
196.12508	3.3
197.13330	7.9
199.11212	6.2
200.34456	2.7
201.12724	8.8
203.14334	38.5
204.14806	3.0
207.12065	2.8
207.13797	14.5
209.13307	4.9
209.15483	4.7
213.12730	6.0
215.14388	5.1
219.13847	5.1
221.15352	100.0
222.15602	4.9
225.12653	3.2
229.12189	3.2
231.13844	3.4
233.15437	6.6
234.16176	10.2
258.94547	3.4
287.19971	10.0
293.62949	3.0
299.19946	6.9
303.19620	10.1
365.24765	9.2
383.20627	3.8
383.25739	61.8
384.26019	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	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03945	4.1
55.01851	4.3
55.05507	16.0
57.03432	3.1
57.07072	12.5
59.04987	9.1
65.03965	2.8
67.05502	36.1
69.03429	16.6
69.07059	7.6
70.58797	9.0
71.04981	5.7
79.05494	31.0
81.07053	40.1
83.04969	11.5
85.06527	7.5
91.05474	52.6
93.07037	100.0
95.04972	31.0
95.08603	47.7
96.05760	2.5
96.08885	2.7
97.06541	14.7
104.49915	2.9
104.89980	2.4
105.04549	2.9
105.07022	78.9
107.04903	3.0
107.08589	49.3
109.06503	22.4
109.10143	25.9
111.08057	11.8
115.05423	3.6
116.46540	2.3
117.06989	9.5
119.04890	3.0
119.08572	55.4
121.06491	17.2
121.10135	53.4
123.08061	32.6
123.11703	4.1
128.06201	7.9
129.07011	12.4
130.07782	6.1
131.06961	2.8
131.08554	26.6
133.06560	12.2
133.07333	2.9
133.10120	32.7
135.08044	27.9
135.11723	4.7
137.05930	2.8
137.09612	14.3
141.06949	4.4
142.07741	24.3
143.08545	26.0
144.09326	6.1
145.10118	39.0
147.08049	31.6
147.10681	2.7
147.11687	19.1
149.09604	32.1
151.07527	41.8
153.09135	4.2
155.08501	8.5
156.09337	8.8
157.10114	45.3
158.10840	2.9
159.08043	7.3
159.11717	18.6
160.08757	4.3
161.09567	19.5
161.13242	11.0
163.11125	6.9
164.37817	2.4
165.09106	44.0
169.10062	7.3
170.10893	9.9
171.11665	7.8
172.08801	3.6
173.09587	11.5
173.13217	9.4
175.11157	24.3
175.14832	8.3
177.09100	14.7
178.09912	2.8
179.08421	3.2
181.12245	2.8
183.11705	5.5
185.09625	3.8
185.13260	20.4
187.11148	5.9
187.14865	3.4
189.12738	12.3
191.14279	5.2
195.11699	4.4
197.13278	6.0
199.11172	5.7
199.14787	3.6
201.12726	9.4
203.14314	35.7
207.11800	5.4
207.13782	17.4
209.13275	4.5
209.15305	5.7
211.11090	3.5
213.12778	3.5
215.14204	6.5
217.12224	4.8
219.13771	5.8
221.13486	3.6
221.15356	98.0
222.15756	3.4
225.12773	2.9
227.14336	6.1
229.12071	3.1
231.13817	4.8
233.15421	6.0
234.16090	17.1
237.14835	4.0
239.14224	2.7
239.17769	3.4
243.13887	5.6
250.87733	2.9
251.17886	3.4
264.22256	2.7
281.18958	3.3
286.19244	4.2
287.20084	6.7
299.20551	2.8
303.19473	10.8
309.18634	2.9
365.24673	12.9
383.25748	79.4
384.25980	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.05502	14.1
57.07061	11.0
59.04993	7.0
59.20943	3.2
64.90138	3.0
65.03931	6.1
67.05497	36.1
68.59354	3.2
69.03419	18.0
69.07047	9.6
71.04993	5.7
72.36842	3.0
79.05487	28.4
81.07041	31.2
83.04979	5.2
83.08627	3.8
85.06540	4.6
91.05479	39.1
92.68398	3.8
93.07043	100.0
95.04964	27.7
95.08601	31.0
97.06532	12.2
103.05476	4.7
105.07034	72.9
106.07323	3.8
107.08600	42.5
109.06530	25.8
109.10152	25.4
111.08099	8.0
117.07020	12.3
119.04836	3.2
119.08571	49.5
120.09449	3.5
121.06501	11.6
121.10133	43.4
123.08080	32.4
128.06219	7.7
129.07008	8.5
131.08559	24.3
133.06474	8.7
133.10089	27.1
135.08067	20.9
135.11665	5.8
137.06038	3.4
137.09593	12.7
141.06944	3.3
142.07759	19.0
143.08571	23.0
144.09328	3.9
145.06509	4.1
145.10120	32.9
146.07217	4.7
147.08035	25.8
147.11681	11.8
149.09627	16.4
151.07526	37.0
155.08559	6.8
156.09245	5.1
157.10120	36.5
159.08080	6.6
159.11671	18.2
161.09605	20.6
161.13210	9.1
163.11157	8.4
165.09116	50.0
169.10164	4.7
170.10921	7.6
171.11662	5.3
173.09599	3.9
173.13301	4.3
175.11182	20.6
175.14836	9.9
177.09068	9.6
179.08414	5.3
181.12289	3.8
183.11710	3.7
185.13248	17.5
187.11116	6.5
187.14799	3.6
189.12764	10.3
191.14328	3.7
199.11148	3.7
201.12772	5.7
203.14310	23.4
204.20491	3.2
207.13766	10.5
209.13263	3.9
215.14369	5.3
219.13823	4.8
221.15376	87.8
225.12617	4.4
233.15320	7.6
234.16237	7.4
286.19202	4.8
287.20193	7.2
299.20108	6.5
303.19522	10.1
309.29346	3.2
357.53027	3.3
365.24768	10.3
383.20349	16.6
383.25723	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	383.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.2
55.01860	19.3
55.05507	27.9
57.03421	9.6
57.07071	6.1
61.02913	10.2
67.05498	44.9
68.99785	15.5
69.03426	89.3
69.07056	26.6
70.06587	11.9
71.04987	69.2
73.02900	7.1
79.05491	47.8
81.03410	73.3
81.07050	67.0
83.04978	27.6
83.08600	14.3
84.04498	6.1
85.02901	60.5
86.09718	6.7
87.00816	41.5
91.05474	68.8
93.07039	64.3
95.04943	32.3
95.08604	33.2
97.02889	54.3
97.06530	10.9
99.04443	5.7
99.08086	6.6
100.11211	10.7
103.05476	8.7
105.01840	14.0
105.07030	100.0
106.07339	5.2
107.04938	18.6
107.08585	67.4
109.02870	15.6
109.06509	21.0
109.10149	38.0
110.07160	8.7
111.04429	46.9
111.08099	5.7
113.02368	5.2
113.06001	5.8
115.03945	18.3
115.05424	8.5
117.07018	40.1
119.04924	11.7
119.08563	55.6
120.08132	7.8
120.09005	4.6
121.06503	52.4
121.10145	39.3
122.06068	6.1
122.10487	5.9
123.04419	13.9
123.08066	22.3
123.11701	36.6
124.83631	4.7
127.03920	13.9
127.11222	5.5
128.06239	6.2
129.01814	11.8
129.07001	24.0
130.07809	10.9
131.08572	40.6
133.06458	17.0
133.10132	26.8
135.08049	22.8
135.11688	39.0
137.05980	30.4
137.09605	14.4
138.06299	9.3
142.07785	6.6
143.05183	4.8
143.08571	17.7
144.09268	4.6
145.06448	12.6
145.10136	68.2
146.06985	4.3
147.08051	26.0
147.11700	30.8
149.05927	5.9
149.09612	14.2
149.13297	6.8
151.07527	6.4
151.11171	20.8
155.08539	12.8
156.09335	5.2
157.06479	9.0
157.10100	13.6
158.07266	6.0
159.02856	11.9
159.08058	16.5
159.11688	23.3
161.09628	13.0
161.13142	6.2
163.07567	10.0
163.11174	21.1
165.09154	5.5
165.12717	24.4
166.13075	4.6
171.02902	5.2
171.08080	8.0
171.11699	9.0
173.09596	68.2
173.13145	7.2
175.07527	17.7
175.11150	18.7
177.09183	4.8
177.12753	51.7
183.08026	7.5
183.11697	9.7
187.11211	8.2
189.09116	13.0
189.12769	14.6
191.10638	31.9
191.34789	5.3
193.08638	7.8
193.12254	16.6
197.13229	8.6
201.03925	20.3
201.09125	5.3
201.12701	8.7
205.12181	12.8
207.13795	10.2
215.10654	10.5
215.14355	9.1
217.12213	5.9
219.13824	20.4
225.12657	11.0
233.15324	13.3
237.14928	6.7
243.13747	31.4
261.14825	62.9
279.15924	18.3
304.16458	12.5
330.17731	13.0
347.14917	12.4
348.18832	19.0
365.15991	18.5
365.21475	25.3
383.11469	6.0
383.16736	35.1
383.21851	6.9
396.74637	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35967	1.9
51.02393	2.3
53.03939	8.5
55.01870	18.2
55.05508	18.7
57.03426	9.1
57.07078	3.8
57.60224	2.4
60.36728	1.8
61.02917	8.9
65.03927	5.7
65.28686	2.1
67.05508	29.2
68.99793	14.8
69.03426	62.0
69.07078	12.2
70.06590	35.3
71.01353	4.4
71.04994	10.8
71.57714	2.9
72.08149	12.1
73.02916	8.7
74.06070	2.8
77.03889	2.9
79.05494	34.4
81.02940	3.3
81.03416	44.4
81.07054	56.1
83.04984	19.3
83.08607	2.8
84.04502	5.5
84.08151	16.6
85.02901	64.6
85.06522	2.1
86.09704	26.9
87.00816	31.8
87.04443	4.5
91.03957	2.4
91.05473	48.2
93.07039	100.0
94.07346	2.7
95.04963	29.5
95.08602	33.4
97.02903	36.5
97.06526	10.1
99.04456	9.7
102.05573	2.9
103.03963	13.6
103.05460	4.7
105.01874	13.1
105.04544	2.3
105.07031	69.9
107.04948	13.2
107.08588	90.3
109.02879	29.3
109.06522	18.8
109.10157	32.5
110.07164	7.6
111.04429	15.4
111.08086	2.8
113.02386	2.7
115.03909	10.7
115.05462	6.0
117.01850	2.4
117.07008	18.0
119.04971	5.3
119.08588	40.3
120.08104	26.6
121.06519	15.4
121.10138	55.2
123.04414	18.1
123.08077	9.9
123.11706	13.2
124.07632	2.1
125.02399	2.6
125.05976	5.5
127.03921	27.2
128.06200	3.4
129.01839	11.9
129.07010	8.8
129.10229	6.0
130.07855	3.2
131.04907	3.6
131.08563	22.6
133.06509	12.6
133.10130	43.5
135.04369	2.6
135.08087	16.4
135.11685	59.9
136.07587	5.9
137.05956	7.4
137.09544	10.2
137.13213	3.0
138.06319	2.7
141.05453	2.5
141.06996	6.3
142.07788	6.9
143.08568	11.0
144.09329	3.5
145.02901	2.5
145.04922	6.7
145.06439	4.4
145.10118	33.8
146.06004	2.6
147.02885	7.7
147.04474	3.6
147.08051	10.6
147.11684	34.6
149.05980	6.5
149.09619	7.2
149.13278	9.8
151.07536	5.4
151.11186	7.7
153.05434	3.1
155.08560	6.8
156.09341	7.0
157.06493	2.7
157.10098	13.6
159.02879	7.3
159.08052	13.3
159.09131	2.3
159.11700	24.5
161.05925	3.3
161.09616	6.6
161.13268	9.7
163.07481	3.6
163.11171	22.7
165.12706	18.5
167.07089	7.9
169.10121	4.4
171.02910	3.1
171.07967	2.7
171.11635	11.2
172.08691	2.1
173.09622	8.9
173.13225	5.1
175.11206	15.4
177.05476	3.0
177.09157	5.5
177.12758	19.4
178.08656	5.9
179.14304	2.9
183.07980	3.1
183.11688	5.0
185.09596	4.2
187.07489	3.6
187.11166	7.7
187.14819	2.8
189.03958	7.0
189.12730	9.0
191.08540	3.2
191.11952	2.6
191.14334	4.3
193.12250	6.3
194.07251	2.6
197.13147	10.4
199.11269	3.2
201.03983	4.3
201.09195	6.6
201.12712	10.0
203.14296	6.6
205.12251	3.7
207.11685	3.0
210.10384	2.8
215.08690	2.4
215.14282	11.4
219.08047	8.3
219.13802	11.3
220.08810	4.9
221.07878	2.7
221.15414	3.7
225.12755	7.6
227.66777	2.2
229.08528	2.5
231.05051	4.3
231.08107	4.7
231.13768	3.1
232.13312	2.7
233.09619	2.6
233.15405	3.3
235.07474	2.2
235.11090	2.8
243.13841	27.3
245.09549	3.4
247.07582	9.9
248.08279	6.3
249.07478	3.3
250.06161	2.4
251.07387	2.2
259.07568	3.3
261.14874	36.3
262.06088	5.3
262.09909	3.7
262.15268	2.3
263.07065	3.9
263.10733	7.8
268.06281	2.2
275.06970	4.0
276.07806	6.1
277.08551	5.1
279.06830	2.4
279.10391	3.6
279.15948	10.7
290.09277	3.6
291.10120	9.7
292.07202	5.5
293.08099	8.3
297.16995	2.8
303.17868	3.9
305.08188	3.6
307.06076	4.0
307.09760	6.2
308.10406	6.1
318.09241	3.6
319.09534	5.6
321.18832	4.4
322.08334	4.1
323.12790	7.8
336.10071	6.9
337.10760	11.4
347.14886	11.1
351.08481	3.3
351.12415	14.7
352.13101	5.7
353.10220	6.1
365.15961	18.3
365.21118	4.6
368.12598	9.6
383.10880	6.6
383.15302	37.3
383.22678	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	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99686	4.6
53.03938	19.2
54.81327	4.5
55.01871	23.8
55.04451	4.3
55.05510	29.5
57.03432	8.9
57.07065	7.4
61.02911	9.2
67.05502	35.2
68.99776	17.9
69.03084	6.9
69.03427	82.4
69.07058	16.0
69.37424	33.3
69.37843	10.5
70.06589	21.1
71.01353	6.8
71.04992	59.8
72.08149	10.7
73.02903	5.9
79.05483	40.6
81.03420	68.1
81.07053	59.8
83.04958	25.2
83.08606	5.9
84.04484	4.7
84.08139	10.0
85.02908	62.1
86.09702	13.3
87.00824	37.1
89.37186	3.9
91.05483	57.4
92.05833	5.5
93.06493	6.3
93.07034	59.2
95.04974	29.1
95.08593	33.9
97.02885	43.4
97.06507	6.6
99.04471	10.0
100.11246	12.8
103.03923	10.3
103.05453	8.0
105.01845	13.9
105.07029	100.0
107.04937	20.2
107.08592	63.0
109.02884	8.6
109.06532	25.9
109.10141	27.9
111.04435	45.7
111.08093	5.5
113.02361	5.3
115.03890	12.5
115.05447	7.9
117.07003	31.7
119.04948	11.4
119.08575	53.9
120.08079	11.7
121.06479	41.4
121.10139	43.6
123.04432	20.9
123.08117	22.0
123.11706	35.8
123.95167	4.5
125.05962	10.4
127.03915	13.5
127.07423	4.5
127.11211	5.5
128.06190	7.5
129.01810	10.2
129.07002	17.0
129.10211	8.5
130.07784	10.9
131.08575	41.0
133.06467	15.4
133.10156	25.8
135.04449	9.6
135.08037	18.6
135.11713	31.6
137.05974	25.7
137.09610	21.0
137.13307	6.4
138.06314	11.3
141.07010	5.0
142.07715	5.2
143.08582	15.2
144.09331	6.1
145.06485	9.7
145.10104	61.2
147.02884	8.3
147.04384	4.4
147.08003	26.8
147.11673	19.1
149.05963	4.8
149.09618	16.5
151.07495	5.0
151.11191	16.7
155.08539	17.9
157.10107	12.5
159.02873	14.1
159.08057	14.1
159.11717	24.3
161.09575	10.5
161.13252	8.5
163.03915	5.6
163.07484	10.0
163.11174	17.7
165.12717	25.7
167.08572	4.5
167.10596	4.3
169.10165	5.5
171.08057	7.1
171.11748	8.1
173.09613	70.3
173.13286	8.2
175.07533	21.3
175.11218	19.3
177.12738	39.8
179.14241	5.9
183.11728	6.8
187.07521	6.6
187.11160	15.7
189.09142	11.3
189.12798	14.7
191.10693	39.8
191.14421	6.6
193.08653	5.2
193.12247	16.7
195.05713	4.4
197.13292	9.6
201.03857	21.4
201.12732	10.0
204.61224	4.6
205.12244	18.2
207.13803	8.7
215.14371	10.8
217.12289	8.1
219.13762	14.1
225.12766	7.2
233.11665	7.7
233.15323	13.2
243.13768	36.8
245.58798	5.2
261.14862	58.3
279.15939	20.6
330.17563	6.1
348.18915	21.1
365.15756	18.8
365.21188	25.2
383.11224	6.6
383.16742	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	383.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01867	2.0
55.05514	23.2
55.15278	1.7
56.05023	6.7
57.03439	1.9
60.79729	1.8
61.01132	3.6
65.03928	3.3
67.05505	10.2
69.03418	12.5
69.07044	7.8
70.06602	18.4
71.06971	1.5
71.59795	3.9
71.60156	1.8
72.08145	11.0
79.05487	9.7
81.03413	5.0
81.07056	13.9
83.04981	9.8
83.08591	4.8
84.04489	4.5
84.08137	11.2
85.02894	14.2
86.09716	16.1
91.05479	31.3
92.05796	2.2
93.07039	34.2
95.04988	9.9
95.08592	18.2
97.02898	4.1
103.05453	7.1
104.05302	5.1
105.04490	2.4
105.07023	18.9
107.04955	8.4
107.08590	36.4
108.05743	9.8
109.02895	4.1
109.06488	7.5
109.10164	2.2
110.07157	5.2
111.04416	7.4
111.08086	2.1
119.04954	10.3
119.08575	11.7
120.08092	8.9
121.06509	31.1
121.10118	5.2
123.04462	2.9
123.08063	100.0
124.08389	1.9
127.03929	3.6
129.10237	5.1
131.08521	2.3
133.06508	2.9
133.10115	13.5
135.08099	3.3
135.11702	19.4
135.37360	1.8
137.05986	18.0
139.03922	3.9
139.07607	1.6
142.07741	3.6
143.08458	1.7
147.04341	8.3
147.08034	3.9
147.11708	11.4
149.05991	11.7
149.13246	2.3
151.07526	49.9
155.07043	1.8
157.10129	5.6
159.11656	2.2
160.08830	2.8
161.05853	2.1
161.09583	4.0
165.05490	19.7
167.07031	71.5
167.08446	3.8
175.11171	37.8
177.07846	6.0
177.09225	3.4
177.12772	4.2
178.08205	5.3
179.10649	15.5
179.41307	1.9
182.45708	1.9
193.12207	12.2
203.10663	18.9
219.06422	2.1
221.11734	79.0
222.12007	2.6
229.13902	2.0
247.07451	4.1
250.46750	1.7
253.16594	2.4
263.10645	2.8
275.18390	2.1
291.10260	2.2
295.22665	2.0
303.17825	3.5
320.18665	2.6
321.18900	35.6
337.10645	2.7
351.08490	2.0
365.21506	11.6
368.12750	2.6
383.15216	11.4
383.22488	6.0
383.26962	2.3
384.15030	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	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45316	3.2
59.63196	4.2
69.27641	8.3
69.28057	23.8
70.06577	6.3
70.15343	3.5
84.08113	4.1
95.24901	3.8
201.33762	3.8
230.99002	21.5
238.44637	4.5
381.07956	100.0
382.08102	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	382.172
Annotation	O-beta-D-Glucosylzeatin
Peak:m/z	Relative Intensity
53.47570	0.8
55.05521	1.0
56.05019	0.9
57.03435	0.9
60.04494	1.6
64.09047	1.0
64.74408	1.0
67.05478	1.5
69.03416	2.2
70.06583	3.2
71.56992	1.8
72.08152	6.1
74.06065	3.3
83.05484	0.8
84.04497	2.6
84.08112	2.0
85.02896	3.3
86.09718	5.5
91.05476	1.5
97.02880	1.8
101.07137	1.4
105.03403	1.3
110.07144	2.8
119.04941	1.2
120.08121	5.4
123.89310	0.9
128.10669	1.2
129.10254	1.2
136.06177	100.0
136.07491	4.0
137.06573	1.1
148.06192	2.1
153.05431	0.9
173.12872	5.2
185.08205	2.3
187.87138	0.9
201.12358	2.0
202.10860	6.5
220.11920	94.7
221.12292	2.5
249.16048	1.0
297.30234	1.1
382.17215	58.9
383.17642	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	382.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06272	0.2
55.05503	1.3
56.05015	0.3
69.07058	1.0
69.55875	1.7
70.06596	0.6
72.08166	0.4
79.05483	0.5
81.07044	0.8
83.08646	0.3
84.08151	0.4
85.99694	0.2
86.09691	0.9
93.07043	0.5
95.08612	0.7
103.05458	0.4
105.07062	0.5
110.07162	0.6
114.58602	0.3
115.05434	0.3
117.07024	0.4
119.04916	0.5
120.08131	0.5
121.06451	0.3
123.04451	0.8
127.54800	0.3
129.06981	0.5
131.04913	1.1
132.08067	0.3
136.07550	0.4
137.05991	1.5
143.04919	0.7
145.06490	0.4
147.04410	0.5
148.05183	0.4
148.07556	0.3
149.05954	2.2
150.05557	0.3
151.07518	0.3
157.06497	0.7
159.08055	0.3
160.05177	0.5
160.07594	0.7
161.06000	1.6
162.05511	2.3
163.07570	0.5
164.07054	10.2
164.08438	0.6
165.07362	0.3
173.05986	1.1
175.07544	1.0
176.07053	1.5
177.07846	25.4
178.08543	1.9
187.07695	0.3
190.08578	1.0
206.10219	0.5
250.12975	1.0
256.17001	0.5
257.15485	0.3
274.17975	5.7
284.16608	0.3
302.17508	8.2
303.17987	0.3
311.59686	0.3
313.02728	0.3
320.18542	100.0
321.18839	5.0
364.21152	29.7
365.21399	1.8
382.22192	10.5
383.22409	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	383.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
67.05495	3.5
69.03418	1.2
69.07052	1.3
69.90923	3.6
70.06583	2.7
71.05832	0.7
72.08133	1.1
72.16002	0.7
79.05473	1.6
81.03409	1.1
81.07058	5.0
83.08598	1.5
84.04510	1.6
84.08127	2.5
85.02854	1.0
86.09685	1.2
88.35563	0.7
91.05476	2.1
93.07044	2.3
95.04953	1.5
95.08607	1.4
97.10152	0.8
98.09708	1.0
100.11251	1.8
105.07022	2.4
107.08576	1.4
109.02867	0.7
109.10120	1.8
110.07178	1.0
111.04394	0.9
119.08556	2.2
120.08112	0.9
121.10123	1.8
125.34454	0.9
131.08566	1.1
133.10091	1.3
134.05984	1.9
137.05916	0.8
145.10110	1.4
147.11641	1.9
157.10028	0.8
162.05527	2.7
165.09143	0.8
183.06927	0.8
184.07645	1.1
187.78639	0.8
196.09888	1.1
198.14871	1.9
204.66463	0.8
206.08299	0.9
207.09076	1.6
208.05922	0.9
208.07686	1.6
210.14926	1.0
221.08226	1.3
222.07878	0.9
223.06406	1.6
223.08673	3.3
224.07076	3.4
224.09439	4.3
225.07658	0.9
225.22667	0.8
234.07912	1.2
235.08603	2.6
236.07135	1.2
236.09306	1.8
237.06558	1.6
239.05795	1.4
249.10379	0.9
251.05862	1.5
251.07997	3.6
252.06508	12.2
252.08969	11.1
253.07159	1.6
253.09581	1.3
262.07300	1.0
263.08069	5.1
264.09024	2.4
265.06046	2.1
265.09763	1.3
267.08911	5.4
267.11340	2.3
277.09613	1.2
279.07623	4.3
279.11349	0.9
280.05518	1.4
280.08438	24.5
281.09137	7.1
290.06839	1.7
291.07632	4.7
292.08469	3.4
293.05539	2.8
293.08801	1.1
294.06250	3.5
295.10782	13.4
297.06290	3.8
305.09146	1.7
307.07330	5.4
307.10446	1.3
308.07898	23.2
309.08578	6.4
312.07516	1.9
319.07169	1.3
320.07791	4.8
323.10165	11.6
324.10373	1.0
326.10263	3.4
327.51083	0.8
333.08667	1.6
335.06799	0.9
336.07382	47.4
337.08047	5.6
339.09558	0.9
340.10382	1.8
351.09729	100.0
352.10208	5.2
355.12888	2.3
373.13278	0.8
383.12308	34.5
384.12668	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	380.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.1
56.05031	14.1
57.03434	1.4
58.06597	6.9
67.05497	1.1
68.05028	0.8
69.03414	0.7
69.07060	2.7
70.02954	0.8
70.06592	18.1
71.06919	1.2
71.57359	0.6
71.57763	1.1
72.08150	7.1
73.04041	1.4
74.06077	30.0
77.12191	0.9
79.05462	1.2
81.07038	1.7
82.06560	1.4
84.04507	14.1
84.08134	9.2
86.06052	1.2
86.09703	52.4
87.05571	1.2
87.10068	1.4
88.03989	1.1
91.05482	6.7
93.07032	2.0
95.04943	1.0
95.08620	1.3
98.09680	1.1
101.07137	25.0
102.05537	1.6
103.05462	3.5
104.05300	0.8
104.11323	0.7
105.07032	3.0
106.84060	0.8
107.08637	0.9
109.10125	0.9
110.07133	2.7
111.04507	0.7
113.07128	1.1
115.08643	1.1
116.07101	2.1
117.07026	1.9
118.06544	1.3
119.04937	1.4
119.07314	3.2
120.08099	100.0
121.06504	0.9
121.08450	2.7
126.09151	1.0
126.12724	0.9
129.07021	0.7
129.10228	4.6
130.06500	2.3
131.04944	2.3
132.08073	2.9
132.10191	4.6
134.09615	1.1
136.07539	6.0
137.06012	3.9
142.12283	5.0
143.11761	4.0
145.06435	1.8
148.07578	1.5
149.05972	2.8
152.05673	2.7
152.07005	1.4
157.13342	3.4
158.09647	12.7
160.07559	1.9
160.11229	2.8
161.06053	1.2
162.05560	1.5
164.07057	2.0
166.08612	3.2
169.13443	0.9
170.11736	0.8
173.05943	1.6
175.07530	1.2
175.39043	0.9
176.07045	1.2
176.10695	16.5
177.10165	4.5
179.06993	2.6
185.12849	1.7
186.09215	1.0
187.07535	0.8
187.14417	49.1
188.14676	1.0
196.09692	4.7
197.12851	1.3
203.11797	1.7
215.13899	13.5
218.15141	0.9
219.06717	0.8
221.12846	85.1
222.13219	2.1
226.15588	0.9
233.14871	1.9
249.12367	19.7
272.16470	1.3
279.17038	6.8
290.17584	1.2
300.15930	2.0
318.16962	6.9
344.07559	1.0
344.18692	2.5
362.19641	7.6
363.20148	1.1
380.20706	3.1
389.84439	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	380.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.1
56.05031	14.1
57.03434	1.4
58.06597	6.9
67.05497	1.1
68.05028	0.8
69.03414	0.7
69.07060	2.7
70.02954	0.8
70.06592	18.1
71.06919	1.2
71.57359	0.6
71.57763	1.1
72.08150	7.1
73.04041	1.4
74.06077	30.0
77.12191	0.9
79.05462	1.2
81.07038	1.7
82.06560	1.4
84.04507	14.1
84.08134	9.2
86.06052	1.2
86.09703	52.4
87.05571	1.2
87.10068	1.4
88.03989	1.1
91.05482	6.7
93.07032	2.0
95.04943	1.0
95.08620	1.3
98.09680	1.1
101.07137	25.0
102.05537	1.6
103.05462	3.5
104.05300	0.8
104.11323	0.7
105.07032	3.0
106.84060	0.8
107.08637	0.9
109.10125	0.9
110.07133	2.7
111.04507	0.7
113.07128	1.1
115.08643	1.1
116.07101	2.1
117.07026	1.9
118.06544	1.3
119.04937	1.4
119.07314	3.2
120.08099	100.0
121.06504	0.9
121.08450	2.7
126.09151	1.0
126.12724	0.9
129.07021	0.7
129.10228	4.6
130.06500	2.3
131.04944	2.3
132.08073	2.9
132.10191	4.6
134.09615	1.1
136.07539	6.0
137.06012	3.9
142.12283	5.0
143.11761	4.0
145.06435	1.8
148.07578	1.5
149.05972	2.8
152.05673	2.7
152.07005	1.4
157.13342	3.4
158.09647	12.7
160.07559	1.9
160.11229	2.8
161.06053	1.2
162.05560	1.5
164.07057	2.0
166.08612	3.2
169.13443	0.9
170.11736	0.8
173.05943	1.6
175.07530	1.2
175.39043	0.9
176.07045	1.2
176.10695	16.5
177.10165	4.5
179.06993	2.6
185.12849	1.7
186.09215	1.0
187.07535	0.8
187.14417	49.1
188.14676	1.0
196.09692	4.7
197.12851	1.3
203.11797	1.7
215.13899	13.5
218.15141	0.9
219.06717	0.8
221.12846	85.1
222.13219	2.1
226.15588	0.9
233.14871	1.9
249.12367	19.7
272.16470	1.3
279.17038	6.8
290.17584	1.2
300.15930	2.0
318.16962	6.9
344.07559	1.0
344.18692	2.5
362.19641	7.6
363.20148	1.1
380.20706	3.1
389.84439	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	380.1815
Annotation	Val Phe Asp
Peak:m/z	Relative Intensity
55.05507	6.7
56.05031	1.1
56.96589	0.3
57.05816	0.8
60.04521	0.7
69.07065	0.5
70.06588	6.0
70.67110	1.1
71.06894	0.4
72.08151	70.9
73.08481	0.8
74.06075	0.8
80.03705	0.3
84.04498	2.6
84.08141	4.6
85.02908	0.6
86.09698	3.7
88.03999	0.8
91.05479	1.1
93.07049	1.0
95.04971	0.4
102.05540	0.8
103.05451	1.1
107.00813	0.4
107.05036	0.5
110.07146	2.6
112.08704	0.5
116.07081	0.7
119.04903	0.8
120.08099	100.0
121.08424	1.9
129.10266	2.7
132.08101	0.4
132.10147	0.7
134.04460	0.8
135.04402	0.5
136.07574	1.3
137.05971	0.7
145.02835	0.6
147.04407	0.5
159.09283	0.4
162.05502	0.7
163.03874	1.4
164.07092	0.7
165.05446	0.5
171.14915	6.4
182.08083	0.8
189.05473	0.6
195.61165	0.4
199.14395	2.6
206.08110	2.0
218.08078	0.9
219.14922	34.8
220.15196	1.2
227.17474	0.5
247.14407	9.8
249.09665	0.4
281.11346	11.0
281.14536	0.8
291.14175	0.4
373.54840	0.3
380.13486	1.8
380.17755	0.4
381.17383	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	380.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12667	2.0
55.01876	3.3
55.05500	5.9
56.05041	2.8
56.96571	10.1
59.08757	2.8
67.05502	5.9
69.07059	2.9
69.61024	7.0
69.61449	8.8
70.06592	27.9
72.08157	13.9
74.06038	2.4
79.05515	6.0
80.50187	2.1
81.03421	4.7
81.07069	5.4
84.04501	7.1
84.08154	14.0
86.09702	24.5
91.05489	9.0
93.07055	6.2
95.08559	2.9
97.06519	6.0
105.07008	3.7
107.04956	4.0
110.07187	7.0
112.08724	4.2
115.08729	3.1
116.07096	3.2
119.08573	2.4
120.08092	13.3
121.10127	3.0
122.06045	2.2
123.04479	1.9
129.10245	10.2
132.04495	2.7
134.06026	4.4
135.04391	4.3
136.07614	4.3
137.05998	6.9
146.06000	2.5
147.11732	2.6
148.07573	2.9
149.05939	3.1
149.09789	2.2
150.05507	4.6
152.07115	5.3
161.06010	2.3
162.03711	2.8
162.05511	3.0
170.06155	2.3
175.07538	2.8
178.03268	3.9
206.02821	7.4
208.04195	4.8
218.08272	2.3
235.78706	2.1
236.09645	5.8
237.08020	2.7
248.09621	8.6
254.10686	3.1
266.10617	13.5
270.14047	2.8
272.16547	3.0
291.11780	2.4
300.15994	4.7
303.11459	2.3
318.16910	4.4
327.16095	3.4
327.68954	2.4
334.16519	3.0
337.12256	3.0
344.18692	8.3
350.16516	5.7
362.16370	5.8
362.19955	27.0
362.55060	2.6
363.18079	2.2
368.17661	4.1
377.87949	2.2
380.18130	100.0
380.23721	4.4
381.18573	4.7
398.18475	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.4
56.05038	2.1
57.03447	0.6
57.05815	0.6
57.32831	0.6
57.80761	0.5
60.04525	0.7
60.78896	0.6
67.05486	0.7
67.88277	0.7
69.07059	1.8
69.29900	6.0
70.06589	5.8
72.08154	100.0
73.08494	1.2
79.05489	1.3
81.07050	1.0
84.04494	2.2
84.08155	2.3
85.02898	0.9
86.09704	94.4
87.10056	2.3
91.05483	1.7
93.07039	1.6
95.04975	0.9
97.06523	1.4
103.05459	1.9
105.07045	1.5
107.04917	0.9
110.07200	1.2
116.07081	1.0
119.04905	0.8
120.08099	80.1
121.08441	2.1
121.43089	0.6
121.97729	0.6
122.06008	0.9
123.04482	0.6
129.07005	0.8
129.10234	1.1
131.08522	0.9
132.10210	1.7
133.10211	0.7
134.25725	0.6
135.04370	0.8
136.07590	1.4
137.05984	1.6
149.05966	1.6
152.07115	0.7
161.08345	0.9
166.08636	7.0
173.05952	0.8
176.07033	0.6
178.08635	0.6
185.16486	59.7
186.16833	2.1
199.11252	0.7
213.15965	25.4
214.16328	0.7
219.14925	22.8
220.15096	0.8
224.53391	0.6
233.16550	2.3
247.14436	7.2
257.12775	0.9
265.15521	3.1
269.09363	0.6
274.11133	0.7
279.17053	11.7
285.09311	0.8
287.15237	0.9
316.18958	2.2
334.19995	1.2
346.11044	1.8
360.21930	0.8
378.18649	1.7
378.22693	8.6
379.10373	0.9
386.53928	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	378.2275
Annotation	Isariotin E
Peak:m/z	Relative Intensity
50.75295	0.4
55.05468	2.8
58.06553	1.4
60.04495	0.8
67.05501	2.4
69.03388	0.8
69.07025	1.7
69.64201	1.7
69.64613	0.9
70.06601	4.9
71.04941	0.5
72.08110	1.6
78.52621	0.4
79.05440	1.9
81.03371	0.6
81.07063	3.0
83.08593	1.1
84.04443	1.4
84.08141	2.6
85.02888	1.1
86.09700	4.7
88.03943	0.6
91.05483	2.5
93.06990	1.7
94.06542	0.4
95.08565	1.4
97.06470	1.4
97.10132	0.7
100.07568	0.9
103.05408	1.3
105.06992	1.0
107.04929	0.9
107.08540	1.2
108.08076	0.6
109.10099	0.7
110.07112	1.3
112.11179	0.5
115.05433	0.8
115.08719	0.6
116.07060	0.5
117.06956	1.5
119.08512	0.5
120.08073	3.3
121.10114	0.6
123.04430	2.8
129.06975	0.8
129.10204	1.3
131.04964	2.6
131.08498	1.3
133.06412	0.6
135.04420	0.6
136.07565	1.1
137.05968	3.0
141.06898	0.4
143.04898	0.7
143.08452	0.6
145.02756	0.5
145.06450	2.4
145.10046	0.4
147.04378	0.6
148.05142	0.7
149.05994	6.2
150.06674	1.4
150.07750	0.8
150.08957	0.5
151.07466	0.5
152.06966	0.6
155.08527	1.2
157.06451	1.6
157.10078	0.4
159.07982	1.0
161.05962	4.5
162.06711	1.9
163.07542	2.5
165.07932	0.9
166.08598	2.5
169.06429	0.7
171.07993	0.8
173.05986	6.0
175.06256	0.5
175.07545	3.5
176.07054	9.5
177.05482	0.7
177.07764	2.1
178.08600	5.0
181.06458	0.6
183.07945	1.3
183.45761	0.5
186.06497	0.4
187.07527	2.9
189.05409	0.5
189.09055	1.3
190.08583	2.5
191.09412	45.2
192.09824	1.7
199.07558	2.3
201.09041	1.4
203.06953	0.5
204.10214	0.4
212.16293	0.6
213.09070	1.1
215.10533	0.6
216.06395	0.5
285.14871	0.5
311.16339	0.6
316.19110	1.7
319.17596	0.5
323.09406	0.5
334.20117	61.7
335.20325	3.6
342.20703	0.8
360.17905	0.8
360.21982	2.1
378.22748	100.0
379.08109	0.6
379.23120	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	379.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.5
56.05023	1.3
56.96244	0.4
60.04514	0.5
69.03407	0.5
69.07059	0.5
69.69860	2.5
70.02924	0.6
70.06590	11.4
71.06931	0.5
72.08154	9.2
74.06055	0.7
76.02226	0.6
78.66731	0.4
81.03406	0.8
82.06601	0.4
83.06121	0.5
84.04489	2.4
84.08140	7.2
86.09702	8.6
87.05588	0.7
88.03998	0.6
91.05482	1.0
93.04585	0.6
95.27464	0.5
97.02879	0.6
97.74019	0.5
101.90806	0.4
107.04877	0.5
110.07172	3.9
117.03331	0.4
120.08100	5.1
124.07614	0.5
127.04036	0.4
127.08672	0.5
129.10251	3.0
130.06575	0.4
136.07547	1.4
141.10301	0.7
144.06503	0.5
145.02803	1.3
151.80701	0.5
156.07721	0.5
163.03937	0.7
177.05461	2.0
179.07005	1.1
180.07405	1.1
184.07393	1.0
185.04231	5.1
191.14381	0.4
200.07138	0.5
201.12413	0.4
214.11833	0.5
217.04729	5.4
252.09991	0.5
280.12943	0.6
298.36731	0.5
379.09976	100.0
380.10306	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	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66566	0.5
55.05495	0.9
56.05024	0.8
57.50653	0.5
60.04509	0.6
65.03912	0.8
67.05511	0.7
69.03407	0.7
69.07062	1.2
70.06582	5.2
70.79826	0.5
70.80154	0.9
72.08155	3.8
78.86901	0.4
79.05489	1.0
81.07076	0.5
83.06130	0.7
84.04505	3.6
84.08141	3.1
85.02910	0.7
86.09701	7.1
91.05481	12.4
93.43005	0.5
95.04955	0.5
95.08603	0.5
104.88825	0.5
107.04985	0.7
110.07147	1.4
112.08643	0.6
119.02020	0.6
120.08063	2.4
123.04362	0.7
129.10243	3.1
130.04988	1.1
136.07538	1.0
143.11858	0.6
163.07513	0.5
164.07069	0.5
165.75157	0.5
173.97209	0.5
175.07478	0.6
184.07321	0.8
188.03490	0.7
227.05174	1.8
255.87329	0.5
258.11197	1.4
271.04346	2.8
275.08875	0.8
293.09979	4.7
311.09897	0.7
317.09851	1.4
329.11160	1.1
335.10986	32.2
335.19870	1.0
336.11243	1.0
347.12341	0.7
379.09937	100.0
379.23010	4.3
380.10083	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	378.2386
Annotation	Ile Val Phe
Peak:m/z	Relative Intensity
53.50603	0.4
55.05510	4.2
56.05020	0.9
56.94462	0.4
57.05818	0.6
60.11780	0.3
61.90482	0.4
67.05475	0.4
69.07071	6.0
69.80553	1.8
70.06593	2.9
71.04996	0.3
72.08154	42.9
73.08488	0.4
74.06091	0.6
77.03217	0.3
79.05527	0.6
81.03424	0.6
81.07031	0.6
84.04493	1.0
84.08136	1.2
85.02924	0.4
86.09705	100.0
87.10034	1.0
91.05486	1.1
93.07054	0.5
95.04987	0.4
95.08574	0.3
97.02912	0.3
97.78295	0.3
103.05476	0.3
105.51785	0.3
107.04985	0.5
109.02857	0.5
110.07167	0.4
115.08716	0.3
120.08097	9.5
122.06023	0.4
123.04474	0.4
127.59344	0.3
129.10251	0.7
135.25758	0.3
137.06020	0.6
149.06012	0.7
161.06003	0.4
162.05481	0.4
164.07399	0.6
166.08640	5.0
173.06015	0.5
177.05582	0.5
178.08574	0.3
181.04915	0.4
185.16490	44.5
186.16898	1.4
187.14421	0.6
191.09451	0.6
213.15976	18.0
214.16351	0.8
218.81569	0.4
227.04214	0.4
261.16129	0.3
265.15488	4.2
334.20184	1.1
360.17813	0.6
378.18771	0.7
378.22931	2.8
379.16821	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	378.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05478	1.0
56.05035	1.8
59.53178	0.3
59.85924	0.3
60.04509	0.8
61.01136	0.5
65.03898	0.5
67.05521	0.4
69.07047	0.5
69.78984	1.0
69.79401	0.9
70.02947	0.4
70.06592	12.4
70.06960	0.5
72.08164	3.7
73.08470	0.3
74.06059	1.4
77.44553	0.4
79.05473	0.9
83.06080	0.4
84.04517	2.0
84.07731	0.4
84.08147	4.8
85.02876	0.4
86.06021	0.6
86.09705	10.7
88.03980	0.7
89.03896	0.6
91.05477	6.6
93.07018	1.2
95.04974	4.9
101.10114	0.3
102.05527	0.9
103.05445	1.5
104.05317	1.1
105.07062	0.5
106.06544	0.4
107.04945	1.1
110.07170	1.9
110.09637	0.4
115.08664	0.7
116.07096	1.0
117.03353	1.4
119.04961	2.8
120.08115	2.2
121.06483	2.3
123.03596	0.6
123.04430	7.3
124.03872	0.4
126.05534	0.5
129.10214	2.2
130.04967	0.6
133.02890	0.7
133.06445	1.1
135.04407	2.1
136.05154	1.1
136.07559	1.5
137.05971	5.4
140.04660	1.7
141.10220	0.8
145.02841	3.3
146.03619	0.6
147.04456	1.7
149.02361	0.3
149.06027	1.8
150.05782	1.2
151.07475	0.9
152.07033	0.8
153.05450	1.8
155.07034	3.2
161.05992	5.5
163.03876	0.5
164.04707	2.0
165.05522	2.6
166.06248	0.6
167.07025	2.4
169.13301	0.4
175.03943	0.4
177.05463	6.4
179.07030	100.0
180.07774	4.3
180.10205	0.5
181.08545	4.1
183.06517	5.9
183.11255	0.6
184.09613	0.7
186.83798	0.3
192.04161	1.8
193.05038	1.0
195.08113	0.7
197.08072	0.5
201.12354	1.4
207.06514	5.8
208.07310	1.2
215.13927	0.6
219.11774	0.4
223.07591	0.4
225.07574	21.8
226.08055	0.7
229.11928	1.1
231.09798	0.9
247.07506	0.3
255.10164	0.4
265.08545	1.8
283.09665	1.5
315.12210	3.0
329.10208	0.8
343.11728	1.4
347.11285	0.7
361.12848	14.5
362.13199	0.5
378.15509	12.6
379.09967	2.9
379.14850	0.5
381.13928	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	378.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.05504	1.6
58.99587	0.4
60.04491	0.4
65.08434	0.3
67.05497	3.0
67.10832	0.4
68.17188	0.4
69.03429	0.8
69.07067	3.4
70.06592	1.8
70.91335	0.6
70.91675	0.9
71.04979	0.7
72.08154	1.2
76.02225	0.9
79.05489	3.0
81.03426	3.9
81.07049	3.2
83.04976	1.1
83.08618	1.6
84.04516	0.5
84.08134	1.2
86.09705	17.9
91.04639	0.4
91.05479	5.4
93.07045	3.9
94.06543	0.5
95.04963	1.8
95.08608	2.2
97.06535	1.1
97.10168	0.7
100.03994	0.6
103.05463	3.4
105.07043	2.2
107.04943	0.9
107.08591	1.8
107.30924	0.3
109.06526	0.8
109.10158	0.8
110.07127	0.6
111.08077	0.6
113.04234	0.6
117.07020	0.7
119.04951	1.7
119.08569	1.5
120.08100	100.0
121.08444	2.2
121.10169	1.2
121.33361	0.3
123.11734	0.4
128.03368	0.4
128.10719	11.7
129.07022	0.7
131.04915	0.7
131.08553	1.6
133.06480	1.3
133.10124	1.3
135.04427	0.9
136.01205	0.4
137.05966	7.2
137.06943	0.5
144.01164	1.3
147.04375	2.1
147.08104	0.7
147.11745	0.9
149.06006	1.0
149.09622	1.0
155.08640	0.4
156.10207	1.5
157.06551	0.4
157.10178	1.1
159.08012	0.4
161.05981	2.4
162.02174	2.2
163.07526	1.1
173.05974	1.1
175.07532	0.6
175.11198	0.9
185.09895	0.4
187.07558	1.3
189.09067	0.7
190.01727	1.3
190.08594	2.1
193.12227	2.2
201.09048	0.6
208.02745	2.5
211.13313	2.0
215.10658	0.5
223.10779	21.6
229.19644	0.6
238.92540	0.4
246.22008	0.6
257.15445	0.5
285.14941	1.1
287.15295	0.8
292.22650	0.4
303.15961	2.6
311.16470	1.0
316.19055	5.0
317.19846	0.5
329.17413	2.5
347.18686	2.1
360.21951	2.3
361.20047	0.6
378.22748	24.6
379.22986	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	378.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05511	0.5
56.05019	0.7
60.04490	0.3
61.01144	0.3
69.54926	2.0
70.06590	6.7
71.06903	0.7
72.08131	1.4
74.06073	0.5
79.05463	0.5
80.04960	0.3
84.04476	1.2
84.08147	2.8
85.08478	0.4
86.09701	5.6
87.10013	1.1
89.03872	0.3
91.05485	4.0
93.07013	0.8
95.04962	3.9
102.05544	0.3
103.05460	0.5
107.04945	0.4
108.05762	0.4
109.06445	0.4
110.07149	0.9
116.07091	1.5
117.03327	0.7
118.04177	0.5
119.04905	1.8
120.08110	1.6
121.06490	1.1
123.03579	0.6
123.04417	6.5
123.08072	0.5
125.09717	0.4
129.10225	2.1
131.04977	0.3
133.02858	0.7
135.04378	0.9
136.05167	0.7
136.07562	0.3
137.05963	4.1
140.04643	1.3
145.02834	0.7
147.04369	0.6
149.02339	0.4
149.05980	0.8
153.05469	1.7
155.07031	3.5
155.11763	0.4
157.52957	0.3
161.06010	0.8
164.04631	1.8
165.05467	0.9
166.06302	0.5
167.07021	0.8
177.05424	2.2
178.21228	0.3
179.07021	100.0
180.07376	1.9
181.08600	1.4
181.60536	0.3
183.06523	6.6
183.14955	0.6
192.04124	1.9
207.06558	2.6
215.13951	0.7
219.11740	0.4
225.07561	27.8
231.09727	0.4
257.12973	0.4
279.77679	0.3
296.89282	0.4
361.12698	3.3
378.15488	12.5
379.09906	2.0
379.14850	0.3
393.75369	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	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03946	2.4
53.93126	0.3
55.01847	0.6
56.05014	1.1
57.03433	8.5
57.51530	0.4
57.52525	0.4
59.04975	0.7
61.01132	0.8
61.02929	3.7
69.03429	13.9
69.81453	2.1
70.06590	6.2
71.01352	2.5
71.04984	3.4
72.08131	1.6
72.29997	0.4
73.02908	2.7
75.04472	2.6
81.03018	0.3
81.03423	3.3
84.04478	0.7
84.08144	2.2
86.09705	2.8
87.04454	0.8
90.20769	0.4
91.05463	0.8
93.24044	0.4
99.04449	5.9
103.05447	0.5
104.05305	1.5
110.07111	0.8
116.07069	0.6
117.05488	1.2
118.06547	0.7
120.08102	2.9
120.08910	0.6
127.08665	1.1
129.10217	1.9
130.05002	0.4
130.06483	0.7
137.05930	0.4
145.07571	2.5
152.07138	0.5
155.08104	1.0
157.06297	0.9
157.07544	0.5
159.09183	0.7
170.07162	1.9
172.08687	34.8
173.09029	0.6
174.10344	0.5
175.08723	0.5
186.10237	0.6
190.09749	1.6
198.06616	6.7
198.10260	0.6
200.08182	4.8
214.09741	0.9
216.07681	18.6
218.09242	1.2
224.11775	0.6
225.07437	0.4
240.10931	0.4
243.08768	73.4
244.07101	0.9
244.09232	1.2
316.13055	0.6
334.13873	0.4
341.12463	0.4
359.13452	3.7
377.14532	100.0
378.14886	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	377.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39891	0.9
70.06577	2.9
71.53042	1.3
72.08137	1.2
78.47732	0.8
84.08124	2.8
86.09699	1.7
94.92444	1.7
94.93009	22.4
119.01872	1.2
163.03830	2.0
173.02986	1.7
185.02039	2.6
187.04570	1.8
197.04320	2.3
204.87006	12.7
206.88617	1.5
215.05264	6.4
225.73856	1.0
231.03554	1.8
248.89572	8.7
304.86331	3.2
333.09555	2.1
359.07288	3.1
359.15668	1.0
377.08371	100.0
378.08618	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	377.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05485	2.0
55.48999	1.6
58.32066	1.3
61.02909	4.2
61.06937	1.4
67.05495	4.2
68.99780	6.3
69.03437	1.9
69.07066	3.0
69.65136	3.1
69.65543	8.0
71.01354	1.3
79.05468	4.2
81.03394	6.2
81.07042	5.1
85.02897	7.2
87.00397	1.2
87.00829	9.8
91.05464	5.2
93.07029	2.1
93.11247	1.3
95.08569	3.8
97.02893	2.6
98.21597	1.6
99.04466	2.0
100.83341	1.4
105.06999	4.3
107.04940	2.5
109.02836	1.9
115.05453	9.2
117.07014	3.5
119.04896	1.7
119.08514	2.3
121.10107	1.8
128.06245	7.0
129.01822	5.8
129.06999	4.5
131.04892	5.6
133.06450	2.5
133.10106	2.5
135.11633	1.9
137.05963	5.4
141.06966	10.3
142.07713	2.5
143.04927	3.3
143.08533	3.5
144.05724	11.6
145.06447	6.4
148.05132	3.5
152.06166	3.6
153.06967	3.6
155.04881	2.0
155.08522	2.2
155.15236	1.4
157.06474	5.5
158.07266	12.1
159.04408	2.8
159.08066	6.2
160.05157	4.2
161.05962	21.8
161.09615	1.8
162.06700	4.3
163.07558	2.3
165.06987	4.1
166.07816	1.8
167.08556	7.8
169.06508	9.7
170.07286	2.1
171.04390	4.2
171.08076	7.4
172.05171	6.3
173.05943	2.1
173.09596	4.0
174.06741	5.1
175.07526	16.1
177.07005	1.6
177.09113	6.9
181.06517	3.5
183.08069	2.3
184.05263	3.1
185.05946	5.8
185.09540	2.1
186.06721	10.2
187.07524	33.9
188.04668	5.9
188.08282	3.4
189.03870	2.3
189.05341	7.9
189.09059	8.9
190.06300	3.2
191.07011	10.8
192.85414	1.4
195.08044	10.6
196.08669	2.0
197.06023	4.7
198.06729	2.7
199.03857	4.7
199.07512	4.8
199.11169	2.1
201.09094	65.3
201.10968	3.2
202.09714	2.7
203.07004	2.0
203.10606	5.1
204.07727	1.9
211.07518	3.0
212.08316	6.2
213.09077	9.6
214.06236	10.9
215.07190	1.8
215.10680	6.2
217.04962	12.8
217.08652	1.4
223.07561	4.6
225.09154	2.5
227.06995	2.8
227.08611	2.7
227.10640	35.9
228.11064	1.6
229.08588	12.6
231.10149	9.1
232.07280	27.6
237.09178	3.0
240.07750	2.3
241.08481	2.8
243.10150	3.5
245.08051	2.2
245.11719	5.0
248.75101	1.3
255.10173	26.4
261.11099	2.0
273.11200	100.0
274.11578	4.3
275.36337	1.3
291.12247	5.4
305.24945	2.5
377.12299	2.1
378.22925	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	376.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05505	2.3
60.04509	11.0
65.03941	11.4
65.55687	2.1
67.05497	5.7
68.04997	3.2
68.99767	4.4
69.07062	4.7
69.73455	14.4
70.02934	5.8
70.06586	12.2
72.08147	9.7
79.31672	2.3
80.04993	6.7
81.03380	4.9
82.06555	6.9
83.04933	4.5
84.04514	13.0
84.08133	17.6
85.08470	3.6
86.09225	3.9
86.09705	46.6
87.10031	3.2
88.04000	3.9
92.04975	8.9
93.03401	12.8
94.06545	7.1
95.04938	3.9
96.04488	4.6
101.44396	2.5
102.05515	7.1
107.04983	3.3
109.02847	10.6
109.20401	2.3
110.06027	15.8
111.00783	2.9
111.04438	49.3
120.04456	27.1
121.02835	2.8
122.05988	4.4
123.04403	5.0
123.06783	5.5
124.03941	4.9
124.05181	4.8
125.02270	2.6
126.03127	2.7
127.03886	7.8
129.01828	8.4
129.10213	10.2
130.04955	2.8
130.08627	3.3
134.04503	5.0
134.05989	37.7
135.04456	2.3
138.05513	18.7
139.03900	100.0
148.03929	7.3
148.05995	5.4
150.05469	10.5
151.06288	45.9
152.07002	4.9
155.03403	14.4
166.05019	14.4
167.03438	4.1
167.05777	12.6
184.06058	22.8
201.12299	4.6
215.13916	7.5
229.11810	3.1
243.13379	8.5
245.07616	6.0
263.08667	3.9
302.85962	2.3
326.75003	3.1
343.08859	5.4
376.08905	4.5
376.23343	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	375.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.8
56.05022	9.6
58.06583	3.7
60.04541	4.0
67.05480	2.9
69.03423	2.9
69.07056	4.7
69.62002	18.0
70.06586	39.7
72.08159	39.3
74.06075	26.5
79.05485	5.1
80.05463	2.5
84.04502	24.4
84.08149	66.0
85.02898	3.7
86.09702	100.0
87.10032	11.7
88.03996	7.6
88.86212	2.5
90.05602	2.9
91.05473	11.1
98.02405	3.1
101.07153	4.7
101.10770	2.7
102.05518	9.8
107.04953	7.3
109.06530	2.9
110.07166	6.5
112.08707	5.0
115.08714	4.4
116.07080	6.3
119.04943	4.3
120.08094	5.2
121.06470	4.0
122.03678	4.5
127.03877	8.9
127.04893	2.6
127.08662	4.2
129.10233	34.2
130.08627	6.7
131.04936	8.3
132.04422	2.9
132.10185	6.1
136.07585	4.4
137.05974	82.8
139.03923	3.7
143.11839	4.1
147.04417	6.7
147.07703	3.6
147.11296	8.2
157.13350	12.8
159.07660	7.9
161.05995	24.0
162.07608	4.0
167.07022	11.8
173.09225	7.6
175.07550	8.3
177.05534	3.4
185.12892	4.9
187.07161	4.1
187.10779	4.1
189.12256	4.2
191.07050	9.0
191.10233	18.3
199.18089	4.5
200.18335	6.1
201.08682	4.7
201.12466	7.2
203.07014	20.7
221.06090	3.9
221.08061	10.5
286.17590	6.1
297.11420	3.4
305.03043	2.9
309.11194	4.2
343.11725	18.1
357.21719	3.9
375.11563	3.1
375.23349	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	375.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.7
55.05509	8.3
56.05045	3.4
58.06606	0.9
60.04234	0.7
60.04527	13.9
60.48077	0.7
61.01142	1.7
67.05497	1.1
69.02148	0.7
69.03433	1.4
69.06736	0.7
69.07053	4.5
70.02940	1.5
70.06591	24.9
71.04725	1.0
71.05037	1.0
71.06921	1.2
72.08152	92.2
73.08498	1.2
74.06072	3.0
76.03970	0.7
79.05508	0.8
80.25538	0.6
81.03452	0.8
81.07076	0.8
81.55441	0.7
83.06113	1.9
84.04505	8.8
84.08140	26.7
85.02897	2.2
86.09702	100.0
87.05584	5.4
87.10040	3.6
88.03987	3.3
91.05482	2.8
95.04955	0.7
97.02901	1.6
100.07668	0.8
101.07135	1.7
101.10755	0.7
101.32600	0.7
102.05527	2.0
104.05286	1.2
107.04930	1.8
110.07139	4.1
111.09195	1.1
112.08715	2.1
114.09164	2.1
115.08659	2.1
116.07078	3.6
117.03346	1.1
117.06582	1.5
119.04926	1.1
120.08095	4.9
123.04411	1.6
127.03871	0.8
127.08694	1.1
128.10716	4.9
129.10236	15.9
129.95702	0.8
130.05019	1.5
130.06532	2.6
130.08620	1.8
130.10539	1.3
132.10213	7.4
134.08115	0.9
135.04408	1.3
136.07594	3.6
136.08426	0.7
137.05995	1.7
141.10207	1.8
143.08113	1.0
143.11766	7.5
144.06564	1.7
145.02753	1.1
145.06049	1.5
146.03168	1.2
147.04410	1.1
147.11281	3.1
148.05949	0.9
159.11301	11.1
161.09186	1.4
161.12891	0.8
162.05522	1.0
163.03879	2.3
164.07016	1.4
167.07042	0.8
169.09531	1.0
171.11250	2.4
173.12857	28.8
175.10756	18.1
175.11859	0.7
177.05450	3.6
178.05858	4.1
181.04919	1.0
183.11282	1.0
185.16565	0.8
187.10802	8.6
189.12347	14.2
195.06459	1.2
196.06853	2.0
198.12300	0.7
201.12337	17.2
205.11749	3.2
209.09117	0.7
213.08713	0.9
213.11145	0.9
214.08502	0.8
215.13829	1.0
226.11858	2.3
244.12941	1.1
260.19760	0.9
262.13983	1.2
270.18420	0.7
270.38644	0.8
276.15582	5.1
282.18118	0.7
286.13849	0.9
323.08810	0.7
357.20987	1.5
375.11914	3.3
375.16275	1.3
375.22748	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	375.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47821	0.6
53.50496	0.7
56.05036	9.0
57.03427	1.1
58.06593	5.4
58.32781	0.6
60.04507	0.7
69.07072	1.0
69.94620	3.6
70.06590	6.8
72.08157	3.8
74.06079	58.5
83.20505	0.6
84.04509	10.7
84.08141	4.8
85.02934	0.9
86.06058	1.7
86.09705	100.0
87.10012	1.0
88.03989	3.1
88.50668	0.7
89.33926	0.7
90.05562	5.2
91.05455	1.0
93.06976	0.6
96.04517	0.7
99.09245	0.7
101.07132	1.5
102.05544	2.7
110.02403	0.7
116.07077	2.5
117.88931	0.6
125.04300	0.8
125.10768	0.7
127.04971	0.8
127.08700	2.5
129.10243	2.1
132.10226	3.2
136.07626	0.9
137.05971	2.6
142.12332	0.9
143.11810	1.0
145.09747	1.8
152.10719	1.8
153.05492	0.9
155.08180	2.0
157.06102	1.0
157.13365	29.1
162.07701	1.0
167.07062	0.9
173.05678	0.8
173.09225	17.0
185.12856	19.4
186.12349	1.1
187.14435	1.2
189.12399	1.4
191.10271	49.8
197.12856	0.9
199.07216	1.3
201.08701	5.3
213.12303	0.9
213.16112	0.7
215.13950	1.9
216.10376	0.6
217.08241	2.7
231.05441	2.5
240.17091	0.9
241.15436	1.1
245.07707	1.9
247.12877	1.1
255.05455	0.9
268.16788	1.0
272.09995	0.7
272.12439	4.7
286.17636	13.4
304.18707	1.4
331.13074	0.9
357.21317	13.3
375.12173	2.0
375.23135	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	375.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01857	0.8
55.05506	1.4
56.05017	2.2
56.96545	0.9
60.04520	1.8
61.02905	0.6
65.03951	0.6
69.03411	2.4
69.07046	2.1
70.06590	11.3
71.06865	0.5
71.50641	0.7
72.07761	0.9
72.08150	15.5
73.02926	1.0
74.06089	3.2
75.05609	0.7
79.05479	1.2
81.03432	3.2
83.06097	0.8
84.04516	3.7
84.08141	13.4
85.02526	0.5
85.02910	5.6
85.08475	0.8
86.09701	21.7
87.00830	1.7
87.05604	0.7
87.10030	1.2
89.03910	0.8
91.05461	3.2
93.07032	1.0
95.04963	0.7
95.06038	0.7
95.15783	0.6
97.02898	1.8
97.07666	0.8
98.06080	0.6
98.97576	1.0
99.04452	0.9
100.07618	0.7
101.07142	0.9
102.05540	1.7
103.05490	0.8
104.05286	1.1
105.01851	1.3
105.07055	0.8
107.04948	1.7
109.02875	2.7
110.07154	2.5
110.36970	0.7
112.08746	1.2
115.05459	0.8
116.07120	0.9
117.03413	1.2
119.04921	1.6
120.08096	2.4
121.06501	1.6
122.03654	1.5
123.04430	0.6
125.05998	0.7
127.03911	100.0
128.04248	2.8
129.10225	7.8
130.04984	0.7
130.06540	1.2
130.08617	1.0
131.04959	1.0
132.10239	0.7
135.04416	2.9
136.07585	1.5
137.05966	17.3
137.06953	0.9
140.55740	0.5
141.10190	0.8
143.11795	3.0
144.10188	0.8
145.02856	1.4
145.04938	1.4
145.09720	1.4
147.04385	1.5
147.11284	0.8
148.06122	0.8
149.05968	1.5
150.05498	1.1
153.03911	0.6
153.05481	1.1
155.11801	0.9
157.09764	0.9
159.02901	2.1
159.04257	0.8
161.05995	4.8
162.05537	0.7
163.03899	6.9
164.04233	1.6
164.07062	1.4
165.07848	2.0
166.03171	2.6
166.08319	1.6
167.03581	2.8
167.07014	2.2
171.11295	1.7
173.09251	1.7
175.07562	1.7
175.11989	1.0
177.05550	1.5
178.05728	1.6
183.11252	0.8
187.07359	0.7
187.14449	0.7
191.07166	0.7
200.13962	2.0
201.12291	1.2
203.06993	4.2
203.13913	1.3
205.11873	1.9
219.13217	0.8
221.06094	0.7
221.08112	1.8
237.02888	1.1
244.13005	0.8
265.08597	0.9
270.18195	0.6
277.08633	0.8
285.11337	0.6
289.09473	0.8
297.11520	0.9
314.64764	0.6
331.13333	0.7
343.11865	3.5
344.11923	0.9
357.21439	0.7
375.08655	0.8
375.12708	1.7
375.22961	2.8
376.10461	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	374.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.05027	1.2
56.96564	1.6
57.05824	0.4
58.06589	0.4
60.04522	0.7
61.34811	0.3
69.07069	5.1
70.06589	6.2
70.13929	0.7
70.14317	0.7
72.08145	4.8
74.06068	1.0
79.05485	0.5
83.06091	0.5
84.04047	0.5
84.04503	5.3
84.08135	6.9
84.08630	0.5
84.96090	0.3
85.02906	1.0
85.04825	0.5
86.09700	100.0
87.10048	1.3
89.03915	2.7
91.05444	0.4
94.73871	0.3
98.21462	0.3
101.07151	0.5
102.05526	1.3
105.07059	0.3
107.04956	0.6
110.07173	1.1
112.08786	0.6
114.09203	0.4
115.08693	0.4
116.07135	0.6
117.03349	1.9
119.04954	0.6
120.08066	1.6
123.04404	0.7
127.03878	0.6
129.10229	3.9
130.04993	2.3
135.04413	3.3
136.07544	0.8
137.05994	0.4
141.02278	0.3
143.00206	0.7
144.06555	0.9
145.02863	2.7
147.04428	0.6
147.07617	0.3
147.11275	0.4
148.06050	5.7
155.11803	0.3
159.11385	0.5
161.01231	0.9
161.09206	0.8
163.03896	12.3
164.04233	1.1
165.07854	0.6
166.03262	1.0
167.07071	0.3
168.84517	0.3
173.12949	0.4
177.05428	2.8
181.08524	0.3
185.01216	0.4
189.00655	0.6
195.06534	1.4
199.18048	25.3
200.18297	0.6
210.05858	0.4
212.09244	0.5
213.00696	0.4
221.03188	0.3
227.17526	12.5
228.18030	0.4
249.02849	0.4
255.01758	1.1
261.14426	7.2
261.16858	0.5
273.02875	1.1
288.04297	0.3
343.12000	0.4
374.16226	0.7
374.23578	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	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01861	1.0
58.65244	0.6
69.03439	1.0
69.23770	7.4
70.06579	2.8
72.08131	1.0
78.04692	2.8
79.05494	11.8
79.05942	0.6
81.07072	1.2
81.78895	0.6
81.91751	0.7
84.04488	1.3
84.08145	2.0
85.02868	0.7
86.09697	3.7
91.05476	4.6
94.04159	1.1
95.04955	3.0
97.02872	0.8
98.21567	1.6
103.05457	2.4
105.07047	0.8
106.04158	1.0
107.04955	19.3
109.02858	0.9
109.06516	0.7
115.05471	3.7
117.06997	1.1
119.04888	1.2
120.03115	0.6
120.08098	1.6
121.06490	2.5
122.03651	2.5
123.04419	7.3
124.05215	5.0
125.05996	1.8
129.10258	0.8
131.04921	3.0
132.05733	0.7
133.02866	1.4
134.03618	1.4
135.04414	1.6
136.05200	0.8
137.05978	21.9
140.04672	1.1
143.04932	2.1
144.05652	0.9
145.06493	1.6
147.04414	2.2
147.08086	1.4
149.05978	2.4
151.03835	0.9
151.07530	2.5
152.04686	3.0
152.07141	0.9
153.05450	6.9
153.06699	0.9
155.06975	0.9
159.04431	1.0
160.05199	1.5
161.05997	14.0
163.03885	0.9
163.07559	2.3
165.05563	0.8
165.06979	2.5
166.07809	0.6
167.07033	100.0
168.07352	1.6
169.06454	0.7
172.05176	1.7
173.05914	0.8
174.06836	0.9
175.07532	9.7
176.04727	1.0
177.05472	0.8
177.06982	0.8
177.09138	0.8
179.07030	2.0
179.08601	1.9
181.06461	2.0
182.07198	0.8
183.08096	1.0
187.07634	0.8
189.06946	0.9
189.09177	1.4
191.07005	5.4
191.08469	1.0
193.06483	1.4
194.07330	2.0
195.08113	3.2
197.06020	1.1
197.09586	0.9
199.07565	0.8
201.12442	0.7
203.07063	9.1
205.06480	2.4
205.08427	0.7
206.07201	1.0
207.08090	1.9
209.05963	1.5
209.09666	1.5
210.06711	1.0
211.07513	2.3
212.08255	0.9
218.07190	0.9
219.08080	3.2
220.05220	1.0
221.05940	3.7
221.08118	4.1
222.06683	1.6
223.07458	3.2
224.08302	1.8
225.09094	1.1
226.06281	0.7
227.06961	1.5
227.10493	0.8
233.05977	0.9
234.06767	1.5
235.07504	5.3
236.04639	0.9
236.08325	1.4
237.05429	1.2
237.09059	3.1
238.06218	1.0
238.09805	0.6
239.07040	1.8
240.07698	1.3
241.08578	1.4
246.06813	0.8
247.07518	2.6
248.04671	1.0
248.08336	0.8
249.05476	2.2
249.09117	0.8
250.06425	1.0
251.06947	3.2
252.07814	1.8
253.08591	2.1
254.09251	1.2
255.06483	1.6
255.10153	1.9
263.07047	3.9
264.07767	3.0
265.05121	0.7
265.08572	4.0
267.10181	2.2
268.07263	1.4
269.08118	2.2
269.11438	1.1
270.08731	1.2
277.08487	0.9
279.06506	1.6
279.10098	2.3
280.07315	2.4
281.08038	1.1
283.09717	4.8
285.07675	0.7
285.11130	1.4
292.07266	2.4
293.08078	1.7
295.09622	5.9
297.11060	3.9
306.08917	1.1
307.09576	4.5
308.10052	0.7
309.07648	1.2
309.11127	1.3
312.09930	2.0
313.10547	0.9
314.11438	0.9
315.12299	6.4
324.10208	3.5
324.13434	0.7
325.10751	2.4
327.12329	4.5
339.12228	7.9
343.12344	1.4
345.13181	0.8
357.13351	3.9
375.14520	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	374.2286
Annotation	Ile Glu Leu
Peak:m/z	Relative Intensity
51.11868	0.4
51.34164	0.3
55.05507	0.3
56.05029	1.2
57.05820	0.3
65.03928	0.5
65.92964	0.4
69.07069	7.5
70.06590	3.5
70.09406	1.1
71.06908	0.3
72.08150	1.5
79.05489	0.8
81.03407	0.3
83.06123	0.4
84.04506	14.3
84.08134	1.9
85.02904	0.9
86.09706	100.0
87.10030	2.7
91.05482	0.9
93.07046	0.6
95.04961	0.3
97.06554	0.3
102.05539	6.3
105.07009	0.6
107.04961	1.5
108.08082	0.3
109.06533	0.5
110.07184	0.6
110.09676	0.3
117.03420	0.5
120.04482	0.4
120.08106	1.8
121.06513	0.4
123.04451	0.4
129.06604	0.6
129.10268	1.3
131.08559	0.4
132.10202	8.1
135.04497	0.5
136.07611	1.0
137.05984	1.8
138.09151	1.1
141.06645	0.9
145.02856	1.6
146.03181	0.7
148.03926	4.7
149.06012	0.6
150.64226	0.3
152.10767	0.6
153.05438	0.4
166.04979	1.6
166.08685	0.9
167.07010	2.4
170.11801	0.8
172.04005	0.8
176.10707	1.8
177.05458	3.0
178.05850	1.2
179.06036	0.7
190.05063	0.4
194.11731	0.8
197.12846	7.7
197.14523	0.5
204.06590	1.1
212.12833	0.7
215.13907	24.6
216.14258	0.9
223.07649	0.4
225.12494	0.7
232.83836	0.4
243.13397	36.4
244.13760	1.1
255.11299	0.7
261.14441	3.7
276.86942	0.3
283.10843	0.7
301.11850	4.6
343.13040	1.0
374.22821	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	374.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99402	0.3
55.01890	0.4
56.05022	1.4
62.50904	0.3
69.03419	0.8
69.07063	1.5
70.06596	3.1
70.98029	1.0
72.08163	2.6
73.02910	0.4
73.45380	0.4
79.05506	0.4
81.03416	1.0
82.65456	0.3
84.04505	15.8
84.08141	2.4
85.02900	4.1
86.09702	100.0
87.00822	1.4
87.10041	2.0
91.05476	7.1
92.05811	0.5
96.04485	0.5
97.02869	1.0
97.35094	0.3
99.04425	0.5
102.05538	12.2
102.06194	0.8
103.05418	0.5
105.01861	1.8
108.04451	0.4
109.02856	1.0
110.07164	0.8
116.07069	0.5
116.65640	0.4
120.08123	1.2
127.03903	2.6
129.06564	0.9
129.10254	1.4
130.05045	0.4
132.08101	0.4
132.10191	10.8
132.40088	0.4
136.07645	0.6
137.05984	1.1
141.06606	0.9
143.11783	0.4
145.02873	0.8
145.04971	1.2
152.10701	1.5
159.02933	0.6
169.13335	0.3
170.11789	1.4
177.05447	1.1
197.12848	8.9
197.14557	0.6
203.14005	0.5
204.14235	0.6
215.13904	33.5
225.12312	1.1
231.04938	0.9
243.13396	35.4
244.13666	0.5
261.14355	2.8
262.62906	0.3
285.58417	0.4
374.22693	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	374.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01872	0.6
56.05029	0.4
56.71568	0.4
61.02929	0.4
64.79539	0.4
69.03432	1.8
69.07074	0.4
69.70363	0.7
69.70766	2.0
70.06583	2.2
71.05001	0.4
72.08154	1.4
73.02902	0.7
73.73672	0.3
79.05507	0.5
81.03413	1.7
81.07038	0.5
81.61334	0.4
84.04504	0.5
84.08141	1.9
85.02908	4.9
86.09704	3.6
87.00806	2.0
87.10017	0.4
89.03911	7.6
89.04425	0.5
91.05469	2.0
93.07035	0.6
94.33173	0.3
95.04966	0.4
97.02895	1.9
99.04436	1.0
103.05464	0.7
105.01879	2.0
106.04159	0.8
107.04941	0.7
108.04472	0.6
109.02865	2.1
116.07070	0.4
117.03378	25.4
118.03687	0.8
119.04942	0.9
120.08107	1.5
121.06477	1.6
123.04430	0.5
124.05215	0.5
127.03923	4.0
129.01816	0.4
129.10237	1.1
130.08682	0.4
131.04944	0.5
133.02899	0.6
134.03621	2.0
135.04436	1.8
137.05977	0.4
145.02841	57.8
145.04947	2.9
146.03168	1.3
147.04422	0.7
149.05974	7.4
155.14195	0.4
158.05983	0.5
159.02858	1.8
163.03951	0.9
166.04936	0.6
166.06232	0.6
167.07040	1.5
175.03810	0.8
177.05464	100.0
178.05830	3.3
181.08551	1.5
186.05525	1.4
194.08022	0.4
201.12247	0.5
207.06558	2.9
213.03947	0.4
224.09280	0.5
231.04970	1.1
255.07581	0.9
270.08612	0.4
283.07132	1.9
301.08084	1.0
356.12146	0.7
374.13272	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	374.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
56.05017	1.4
56.96559	0.8
60.04514	2.0
69.07063	7.3
70.02926	0.5
70.06589	8.4
71.51476	0.9
72.08151	5.7
73.08490	0.8
74.06066	2.0
81.03432	0.6
82.06617	0.5
84.04502	5.7
84.07646	0.6
84.08144	10.3
85.02910	1.1
85.04846	0.8
86.09699	100.0
87.10024	3.8
88.03998	1.3
91.05817	0.9
99.05579	0.8
101.07168	0.9
102.05525	2.3
104.05300	1.1
107.05009	0.5
109.02837	0.8
110.07187	2.2
112.08708	0.7
115.08710	0.8
116.07091	1.1
117.03379	0.8
119.02009	0.5
120.08079	1.2
126.05522	0.5
127.03886	1.8
129.10216	6.3
130.05000	5.4
130.06490	0.6
131.05301	1.5
136.07571	1.1
137.05959	0.8
145.02820	1.7
147.07663	4.5
147.08812	0.8
148.06046	4.0
148.07986	1.5
149.00597	0.8
162.03693	0.5
163.03975	1.0
164.07085	0.9
173.09192	0.6
177.05469	4.6
186.12372	0.5
195.06514	1.5
197.04639	0.6
199.18040	23.5
200.18384	1.8
205.16238	0.5
206.03531	0.7
210.02916	0.6
211.02583	0.6
219.09808	0.7
223.06145	1.7
227.17542	8.8
228.17944	0.6
231.05379	0.6
252.04056	0.9
261.14401	3.9
269.06812	0.7
286.09479	0.6
328.10352	2.5
374.11169	1.6
374.19803	0.7
374.24124	1.3
375.22803	0.9
385.10699	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	374.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78619	0.2
55.05507	0.2
55.57446	0.2
62.01634	0.2
63.02398	0.6
63.07054	0.2
67.05508	0.4
69.03427	0.2
69.07080	0.3
69.83466	1.1
70.06590	2.6
72.08154	2.8
76.25509	0.2
78.04720	0.4
79.05499	0.5
81.03430	0.3
81.07057	0.3
84.04491	1.6
84.08136	1.2
85.02909	0.3
86.09702	4.4
87.10004	0.2
89.03915	8.9
90.04256	0.3
91.05489	1.3
93.07058	0.4
95.04993	0.4
95.08602	0.2
97.02909	0.2
97.06547	0.3
102.05559	0.8
103.05445	0.6
104.05309	0.2
106.04173	0.6
107.04951	0.6
110.07159	0.6
111.04457	0.2
111.45983	0.2
114.35177	0.2
116.07127	0.5
117.03378	26.9
118.03703	0.5
119.04944	0.5
120.08073	1.4
121.06502	1.4
124.05223	0.2
125.05977	0.3
129.10229	0.8
130.06552	0.5
133.02873	0.7
134.03632	2.1
135.04414	2.4
137.06001	0.8
138.09097	0.4
144.74138	0.2
145.02841	60.1
146.03232	1.2
146.11742	1.4
147.04352	0.3
149.05981	9.2
151.03828	0.3
153.05579	0.2
156.10091	0.2
158.06023	0.5
161.05917	0.2
162.03154	0.3
163.03954	0.9
165.05400	0.2
166.06244	0.5
166.08722	0.2
167.07039	0.6
169.31290	0.2
171.92233	0.2
172.03923	0.3
177.05466	100.0
178.05826	2.4
181.08571	1.5
182.12660	0.2
183.11290	0.7
186.05484	1.8
191.07053	0.5
198.11288	0.4
201.12358	1.0
207.06532	0.2
215.13947	0.2
226.94217	0.2
229.11810	0.3
248.75888	0.2
254.08832	0.3
295.09586	0.2
307.10507	0.3
314.10883	0.2
328.12814	0.2
342.10489	0.4
356.12335	0.4
374.13309	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	374.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01875	0.4
55.05511	0.4
56.05025	1.2
57.03414	0.2
57.05832	0.2
58.06583	0.3
67.05501	0.3
69.03417	0.6
69.07064	7.9
70.06591	3.4
71.15748	0.6
72.08150	1.5
74.06084	0.3
79.05491	0.8
81.03418	0.2
81.07032	0.3
83.06100	0.6
84.04500	13.3
84.08129	1.9
85.02909	0.9
85.08443	0.3
86.09701	100.0
87.10029	2.6
87.31730	0.2
88.03989	0.3
89.03897	0.3
91.05489	0.9
94.06614	0.3
95.04993	0.3
96.04511	0.3
97.02898	0.3
97.06516	0.3
102.05534	7.6
102.06194	0.5
105.07130	0.3
107.04966	1.2
108.08113	0.4
109.06523	0.3
110.07154	0.5
110.09671	0.5
116.07083	0.3
117.03387	0.6
117.07031	0.2
119.04939	0.3
120.08089	2.0
121.06508	0.2
123.04433	0.3
124.07632	0.3
125.05975	0.3
125.09691	0.2
127.03934	0.5
129.06625	0.9
129.10222	1.3
130.05005	0.4
132.08052	0.5
132.10196	8.0
132.11189	0.4
132.12198	0.4
135.04373	0.4
135.08109	0.3
136.07568	0.8
137.05975	1.3
138.09131	0.6
141.06589	0.7
143.11783	0.4
144.08138	0.2
145.02834	1.2
146.03209	0.3
147.03360	0.3
147.04405	0.3
147.07925	0.3
148.03911	2.4
148.11174	0.4
149.05923	0.5
149.07112	0.2
152.10735	0.6
153.05443	0.3
161.05934	0.3
163.03833	0.3
166.04968	0.9
166.08621	0.6
167.07028	2.0
169.13454	0.3
170.11761	0.7
172.03925	0.6
175.07576	0.4
176.10677	1.4
177.05479	2.6
177.09189	0.3
178.05772	0.9
179.05927	0.4
190.04851	0.3
194.11761	1.0
197.12862	7.9
198.13216	0.4
199.18080	0.3
204.06525	0.7
207.08130	0.3
208.09688	0.2
212.12865	0.8
215.13904	25.0
216.14218	0.5
225.12241	1.1
242.14925	0.4
243.13385	33.9
244.13754	0.8
255.11348	0.2
261.14374	3.4
265.08536	0.2
283.10699	0.3
301.11728	2.0
315.12610	0.3
374.13535	0.3
374.22809	0.8
375.15295	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	374.1597
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
53.03950	0.2
55.05511	0.3
55.11000	0.2
63.02381	0.4
65.03909	0.2
67.05511	0.3
69.07098	0.2
69.68964	1.2
70.06584	1.0
71.27823	0.2
72.08154	0.2
78.04695	0.4
79.05499	0.2
84.04491	0.3
84.08140	0.7
85.02905	0.3
86.09711	1.0
89.03918	7.8
89.75771	0.2
91.05473	1.6
93.07050	0.8
95.04986	0.3
96.08088	0.2
103.05476	0.5
106.04167	0.6
108.08138	0.4
111.49534	0.2
117.03377	26.2
118.03687	0.3
119.04941	0.5
120.08102	0.5
121.06502	1.1
124.59688	0.2
129.10240	0.4
131.04965	0.3
132.04497	0.2
134.03635	1.9
135.04402	2.2
136.07582	0.4
137.06001	1.0
138.09163	0.2
145.02843	59.2
146.03188	1.0
148.03961	0.3
149.05980	9.2
151.03806	0.2
158.06047	0.7
158.97736	0.2
162.05516	0.3
163.03903	0.6
166.06326	0.4
166.08630	0.6
172.04054	0.2
177.05467	100.0
178.05806	1.8
181.08601	1.3
186.05498	2.2
204.06567	0.5
270.09427	0.2
300.10867	0.2
301.12003	0.2
342.11496	0.3
374.15118	0.3
374.23413	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	374.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92248	0.2
53.03929	0.3
55.01886	0.2
55.05511	0.2
55.99780	0.2
63.02380	0.6
67.05494	0.2
67.23371	0.2
69.03413	0.4
69.07071	0.4
69.67178	1.5
70.06589	0.3
78.04705	0.4
79.05480	0.2
84.04510	0.2
86.09734	0.4
89.03914	7.8
91.05484	0.8
93.07034	0.3
95.04988	0.2
100.11256	0.6
103.05469	0.3
106.04166	0.4
117.03377	25.6
118.03691	0.3
119.04933	0.4
121.06494	1.0
124.05148	0.3
127.03942	0.3
132.08177	0.2
134.03596	1.5
135.04440	1.6
141.48186	0.2
145.02841	54.5
146.03165	1.5
149.05978	8.6
150.06337	0.4
151.03844	0.2
158.06003	0.3
160.07616	0.2
161.05949	0.5
163.03871	0.6
166.06190	0.5
167.06879	0.2
168.13802	0.2
177.05464	100.0
178.05794	2.6
181.08575	1.4
186.05486	2.0
190.08586	0.3
261.17505	0.2
357.13519	0.2
374.23117	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	374.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01860	0.3
55.05508	0.5
56.05051	0.4
60.04509	0.3
63.02386	0.6
66.82125	0.2
67.05499	0.4
68.99868	0.2
69.03429	0.5
69.07069	0.6
70.06589	3.4
71.06893	0.2
71.51485	0.2
71.51957	0.3
72.08151	1.7
74.06065	0.3
78.04677	0.2
79.05505	0.2
81.03405	0.3
81.07067	0.3
83.06089	0.7
84.04512	1.9
84.08147	2.8
85.02917	0.5
85.08413	0.2
86.09703	9.6
87.10035	0.8
88.03983	0.3
89.03912	7.8
90.04260	0.3
91.05460	2.4
93.07055	1.0
95.04971	0.9
95.08603	0.2
102.05516	1.0
103.05450	1.1
105.07029	0.5
106.04150	0.6
107.04967	0.6
108.05285	0.2
109.06521	0.3
110.07176	1.2
111.04382	0.2
112.08694	0.3
116.07059	0.4
117.03372	27.4
118.03712	0.6
119.04938	0.5
120.08086	1.6
121.06499	0.8
123.04430	0.3
124.05247	0.5
124.99976	0.3
125.05921	0.2
129.05493	0.3
129.10228	1.6
130.04919	0.3
130.06549	0.4
131.04924	0.3
132.10213	0.7
133.10147	0.3
134.03630	1.8
135.04402	1.6
135.08051	0.2
136.07535	0.5
137.05954	0.7
138.06462	0.2
144.08060	0.3
145.02840	56.5
146.03166	1.4
146.11777	0.7
147.04388	0.2
147.11977	0.2
149.05975	7.7
151.03937	0.4
151.11105	0.2
152.07072	0.5
158.06021	0.4
159.09213	0.3
162.03105	0.4
163.03864	0.6
163.07576	0.3
165.05467	0.4
166.06274	0.6
167.07045	0.7
175.03951	0.3
176.14307	0.5
177.05461	100.0
178.05821	2.6
179.05939	0.3
180.10124	0.2
181.08578	1.2
182.12860	0.5
182.83720	0.2
183.11348	0.3
183.13187	0.3
186.05443	2.3
186.06953	0.2
193.12273	0.2
194.08118	0.3
194.11800	0.3
197.12897	0.5
200.13800	0.3
202.15865	0.8
215.13843	1.6
220.17004	2.0
243.13374	1.7
267.15836	0.3
300.13577	0.4
311.08939	0.2
356.11832	0.4
374.16803	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01862	11.4
55.05492	5.1
56.05020	5.1
57.03421	5.5
57.47675	1.6
59.52839	1.7
60.04503	3.7
61.01134	2.7
61.02912	5.4
62.82341	1.8
67.05487	2.2
67.91109	2.1
68.99773	3.6
69.03426	30.3
69.07061	4.0
69.86595	10.5
70.06590	39.9
71.04972	5.5
72.08146	14.2
73.02921	8.7
79.05474	4.2
81.03413	28.6
81.07024	2.5
83.01318	1.9
84.04493	5.7
84.08144	18.9
85.02905	94.5
86.09705	46.7
87.00828	31.4
87.05573	2.2
89.03900	7.9
91.03958	3.3
91.05489	9.2
93.07030	3.0
95.08575	2.0
97.02891	38.6
99.04452	13.6
102.05541	3.9
103.03938	2.2
103.05471	3.2
104.05328	2.5
105.01862	35.4
105.06989	2.9
106.04126	2.3
107.04940	5.1
108.04457	7.6
109.02869	29.9
110.07152	6.4
115.03896	2.1
115.08674	2.0
116.07063	5.0
117.01874	4.4
117.03383	23.2
119.04924	3.1
120.08102	16.8
121.06467	3.9
123.04427	2.9
126.05478	2.5
127.03920	78.3
129.01825	5.4
129.09390	1.9
129.10226	12.3
130.04935	2.2
130.06517	3.0
130.08618	4.1
133.02870	2.4
133.06500	2.9
135.04402	3.7
136.07576	4.5
137.05975	6.2
138.06378	2.5
145.02855	51.2
145.04951	42.3
146.11768	2.9
147.02917	5.3
147.04303	2.5
148.03999	2.7
149.05952	9.2
153.05394	3.9
159.02899	25.0
159.09140	3.2
161.05986	2.7
163.03935	4.3
166.04991	2.4
167.07002	16.0
175.03917	3.1
175.07489	6.4
177.05466	100.0
178.05798	2.2
181.05016	2.2
183.11208	2.3
186.05484	2.9
189.03909	5.5
201.12410	2.3
202.81223	1.9
203.06963	2.0
204.07379	4.3
207.06511	4.4
217.08636	2.1
227.08261	5.1
229.11865	3.0
230.06607	4.6
231.04976	13.3
233.16484	2.9
240.07347	6.0
248.07704	3.8
249.05896	3.3
251.06870	2.5
252.07410	2.9
253.08386	3.1
254.08951	4.9
255.07574	8.5
265.08200	2.8
266.08783	2.3
270.08521	3.4
270.45209	2.0
281.07410	1.9
282.08475	3.6
283.07065	11.6
284.09912	4.4
299.08762	2.7
301.08090	7.1
312.09384	2.5
313.09998	2.9
314.11047	8.3
324.09393	2.6
328.12415	6.7
342.10391	10.1
344.11975	8.4
346.13397	3.0
356.12119	8.5
374.13229	10.4
374.19574	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22503	0.5
52.26473	0.5
55.01865	1.6
57.03428	1.3
61.02911	1.8
69.03426	4.5
70.06577	1.7
70.65752	1.1
72.08134	2.4
73.02904	0.9
76.43108	0.5
81.03413	2.1
81.97740	0.6
84.04482	0.6
84.08125	1.2
85.02907	16.4
86.09698	2.9
87.04446	0.7
89.03918	6.3
91.03944	1.3
91.05479	0.5
97.02896	4.9
99.04492	0.6
104.42267	0.5
109.02892	1.6
117.03383	18.6
120.08054	0.7
126.49519	0.5
127.03923	2.9
129.10258	0.8
134.03658	1.6
135.04407	2.2
145.02847	46.8
145.04932	3.5
146.03195	1.5
149.05968	9.4
153.05508	0.8
162.03180	0.8
163.03896	4.8
163.05995	0.7
173.12837	0.5
174.46736	0.6
177.05467	100.0
178.05804	3.9
180.08643	1.4
195.06534	41.0
196.06871	1.0
212.09428	0.6
252.04575	0.6
257.18600	0.6
279.09195	0.5
346.85873	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01855	0.9
55.05499	1.2
56.05009	0.7
57.03427	1.3
60.04521	1.1
61.02919	1.9
62.57839	0.6
69.03433	3.3
69.07053	2.0
69.22761	1.0
69.23158	5.3
70.06590	7.2
71.04997	0.6
72.08154	13.0
72.12112	0.5
73.02892	0.8
74.06091	0.7
76.27528	0.5
78.44886	0.6
81.03413	1.5
84.04507	5.7
84.08147	7.4
84.69219	0.5
85.02905	15.9
85.08463	0.6
86.09703	23.6
87.04456	0.6
87.10026	1.0
89.03918	3.6
91.03937	1.0
91.05473	0.9
97.02888	3.5
98.21520	1.5
99.04459	0.9
102.05531	2.0
109.02862	1.1
110.07140	1.8
111.09309	0.7
112.08735	0.6
116.07076	1.4
117.03372	14.3
120.08096	1.9
127.03889	2.8
129.10234	2.5
130.05014	0.7
134.03622	1.8
135.04407	2.1
136.07600	0.9
137.05971	0.8
141.10144	0.7
144.06540	3.8
145.02844	40.5
145.04744	4.3
146.03183	1.2
149.05980	7.6
153.05476	0.7
162.07611	8.5
163.03883	3.6
177.05467	100.0
178.05766	3.0
180.08650	1.6
185.16478	7.7
186.05597	0.8
195.06522	48.2
196.06856	0.9
213.15990	2.5
261.14468	1.6
356.12186	0.7
374.13882	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
53.95278	0.5
55.01877	3.6
55.37686	0.6
57.03430	2.2
61.02930	3.8
65.03942	2.2
68.99789	1.7
69.03431	16.4
69.07068	1.0
70.06596	1.8
70.71073	1.0
71.04995	2.1
72.08150	1.5
72.97507	0.6
73.02913	3.5
81.03417	11.9
83.01346	0.8
84.04504	6.3
85.02905	45.8
86.09706	24.3
87.00826	18.3
91.05481	100.0
92.05825	1.9
97.02893	15.5
99.04460	6.5
102.05565	3.0
103.03932	1.0
105.01865	30.1
105.07027	1.7
108.04488	1.9
109.02875	12.8
115.03944	1.1
117.01858	1.7
126.05531	1.1
127.03918	32.1
129.01854	2.1
129.07011	1.4
129.10249	0.7
130.80457	0.7
130.81583	0.6
132.10199	5.9
133.06505	1.6
140.19812	0.7
145.04964	17.4
145.06458	1.3
147.02888	1.8
157.06493	1.0
159.02876	8.2
171.08063	1.3
175.07594	1.6
177.03964	1.0
181.06514	1.2
189.03964	2.6
195.06593	1.7
197.12897	3.1
199.07550	1.7
213.03931	2.0
215.13911	7.3
217.08601	1.3
231.04984	8.4
243.13504	4.6
248.07713	0.9
249.06099	1.6
277.19565	0.7
321.09863	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	374.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05504	1.1
56.05033	0.8
56.96300	1.0
56.96564	12.3
57.03426	0.5
60.04529	0.5
63.02367	0.8
69.07066	4.2
69.57940	2.1
69.58347	1.1
70.06587	6.7
72.08149	4.1
74.06077	0.9
79.05488	1.9
84.04510	5.5
84.08136	8.8
84.96061	0.6
85.02895	1.6
86.09701	85.7
87.10031	1.4
87.49361	0.5
88.04005	0.7
89.03912	15.7
90.04263	1.0
91.05461	1.3
95.04954	1.3
97.02895	0.8
98.97550	1.3
101.07188	0.5
102.05533	1.5
107.04955	4.1
108.05302	0.6
109.02868	0.5
110.07138	1.7
112.99107	0.5
116.98595	0.6
117.03377	13.8
118.03728	0.8
119.04919	1.4
120.05701	0.6
120.08090	2.2
123.02639	0.4
123.04410	0.8
124.99104	1.6
126.05532	0.6
127.03938	2.6
127.04759	0.6
129.10225	5.2
130.05000	2.9
130.08647	0.7
130.95459	0.5
131.00183	0.9
131.05295	0.7
135.04408	25.3
136.04729	1.2
136.07538	0.5
137.05971	1.3
138.82404	0.5
143.00143	7.7
144.06479	0.7
145.02835	18.3
146.03198	1.4
147.04456	1.2
147.07637	1.1
147.11249	0.6
148.06081	4.8
149.01395	0.6
149.05949	0.9
150.05502	1.6
151.02069	1.0
153.03659	1.0
159.03268	1.3
161.01201	7.4
161.09172	0.6
163.03891	100.0
164.04245	8.3
165.05515	0.7
165.07831	6.2
166.03227	10.7
169.01758	1.1
170.99678	1.7
175.00761	0.5
177.05481	8.7
179.02281	1.0
181.03172	1.5
182.03989	0.9
185.01190	2.4
186.12219	0.5
187.02768	1.6
189.00665	3.3
189.05431	0.7
191.00244	0.7
193.01691	1.6
195.06488	4.1
195.08011	0.7
198.05791	2.3
199.18039	26.1
203.02306	2.9
207.01797	0.7
207.04707	1.9
209.01135	1.3
209.06273	0.6
211.02713	1.4
212.09138	0.7
213.00688	2.5
216.54678	0.5
221.03372	1.4
227.02182	0.9
227.17542	9.8
229.03728	0.7
231.01762	3.4
237.00697	3.8
242.08398	0.6
249.02840	3.0
254.00702	0.6
254.99388	0.8
255.01756	7.7
261.14383	4.9
267.03845	2.3
270.07983	1.4
273.02826	9.1
273.05795	0.8
274.03149	0.8
288.08984	1.5
317.05566	0.9
323.04120	0.6
359.06519	1.3
369.04904	0.8
374.08734	2.4
374.16226	0.9
375.03745	0.7
377.07336	0.5
387.05884	1.9
393.04831	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	373.2445
Annotation	Ile Gln Leu
Peak:m/z	Relative Intensity
55.05508	0.3
56.05035	1.3
56.59698	0.2
56.96524	0.3
57.05822	0.4
60.04518	0.3
67.05499	0.2
69.03434	0.7
69.07067	6.9
70.06591	3.3
70.67027	0.5
70.67419	0.5
72.08144	1.5
81.03401	0.7
83.05601	0.2
83.06097	5.9
84.03991	0.7
84.04502	13.3
84.08141	3.3
85.02905	1.0
86.09702	100.0
87.00815	0.4
87.10033	1.2
91.05470	3.9
97.02868	1.4
97.06530	0.4
98.97585	0.8
99.04472	0.4
99.05587	0.4
101.07156	1.5
102.05559	1.7
105.01865	0.3
107.04955	0.3
109.02865	0.3
110.07156	0.7
112.03912	0.2
113.07128	0.3
116.07099	0.5
116.98615	0.3
117.03370	0.4
120.08096	1.0
127.03923	1.4
129.06598	2.4
129.10225	2.5
130.05020	0.3
130.06532	0.5
131.11795	9.7
132.10193	8.8
136.07582	0.4
137.05998	0.6
141.06613	0.3
143.11780	1.8
145.02837	0.6
145.04974	0.8
146.03220	0.6
147.04376	0.3
152.10730	0.8
157.07640	0.4
157.13350	4.7
166.08632	1.7
167.07069	0.3
169.13405	0.5
170.11862	0.6
177.00716	0.4
177.05469	1.5
178.05840	0.9
185.12831	4.0
189.12341	4.4
196.14508	1.4
197.12859	5.7
198.13170	0.3
199.18120	0.8
201.05476	0.6
203.13966	0.4
204.06531	0.3
207.06561	0.3
208.09686	2.0
214.15547	1.5
215.13913	4.5
225.12300	5.6
230.17438	0.6
231.05048	1.1
237.02838	0.3
242.14983	25.9
243.13354	4.7
246.24738	0.3
260.16083	4.9
260.19061	0.3
268.45367	0.3
305.09119	1.4
341.10901	0.5
355.23700	0.8
356.21823	0.4
373.09726	0.4
373.14124	0.5
373.18982	0.4
373.24167	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	373.1757
Annotation	GS-2
Peak:m/z	Relative Intensity
55.05496	0.6
57.79975	0.6
67.05497	0.8
70.06577	1.1
71.16765	1.5
79.05447	1.0
80.35401	0.6
85.02905	0.7
86.09663	0.7
89.03918	1.9
93.07042	0.9
105.07006	0.8
107.07314	1.5
107.08569	0.6
108.08105	1.7
116.04969	8.0
120.04462	1.8
122.09615	1.6
126.10313	0.6
133.10068	0.7
134.05998	1.1
136.07594	1.1
144.04446	17.6
150.09148	13.9
162.05507	6.5
172.03928	67.2
173.04306	1.5
176.07082	1.4
189.70451	0.7
198.88995	0.6
204.06557	100.0
205.06926	1.9
292.12601	1.3
292.62686	0.8
341.11185	1.2
341.14978	13.2
373.18460	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	373.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.0
55.79166	0.3
56.05025	1.4
67.05505	0.5
69.03426	0.3
69.07063	2.8
70.06590	10.8
70.30743	1.2
72.08151	3.5
74.06084	0.4
79.05481	0.3
83.04988	0.4
83.06097	7.8
83.99321	0.3
84.03990	0.6
84.04499	12.0
84.08139	4.7
85.02910	0.5
86.09700	100.0
87.10045	0.9
89.03915	0.5
91.05444	0.7
94.88395	0.3
95.05006	0.5
97.06523	0.4
101.07137	3.4
102.05502	0.8
103.05463	0.9
110.07175	1.5
112.08742	0.6
113.07119	0.8
115.08685	0.7
117.03404	0.7
118.03687	0.4
120.08101	5.9
123.04338	0.3
124.03930	1.0
125.35011	0.3
129.06548	1.5
129.10228	3.7
130.05037	0.5
131.04907	0.4
131.11794	14.7
132.10191	7.9
135.60667	0.3
136.07600	0.5
137.06001	0.4
141.06618	0.4
143.11804	1.0
145.02817	1.3
145.06453	0.4
146.03189	0.9
148.03940	1.0
149.05991	0.5
150.09033	0.3
152.10730	1.2
155.08147	0.4
157.07661	0.7
157.13403	1.0
166.08620	0.7
169.13431	1.1
172.03926	0.5
173.05949	0.3
173.87935	0.4
177.05478	2.6
178.05794	1.9
185.12915	0.9
189.12354	0.9
196.14452	3.6
197.10368	0.4
197.10806	0.4
197.12845	5.5
197.14534	0.4
201.05498	0.8
204.06476	1.5
208.09622	2.8
212.12869	0.6
214.15515	2.7
215.13959	0.8
224.14012	1.0
225.10216	0.4
225.12315	6.2
242.14986	25.7
243.13385	4.5
243.15532	0.5
245.18674	0.9
260.16016	2.9
299.10220	0.7
299.68796	1.4
311.08997	0.4
313.11069	0.5
327.12482	0.6
343.11835	0.5
355.11798	0.4
355.23434	1.5
356.21967	0.9
373.13538	1.0
373.18530	1.0
373.24597	0.9
374.13947	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	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02356	4.4
55.05509	7.9
56.05028	7.5
67.05502	14.3
69.03425	11.0
69.07074	15.9
69.75722	4.4
70.06592	28.6
71.04977	4.6
71.19235	12.8
72.08160	14.0
79.05499	7.9
81.03423	5.5
81.07056	15.2
83.04945	6.7
83.08599	5.7
84.04505	7.0
84.08154	26.3
85.02886	9.7
85.06587	4.3
86.09698	100.0
86.10187	8.2
87.05586	5.4
89.03938	8.9
91.05475	18.3
93.07050	10.7
95.08604	17.7
101.45570	4.4
103.05428	5.1
105.07001	8.9
107.04917	5.1
107.08572	20.0
109.06497	6.1
109.10146	58.8
110.07159	5.0
111.08112	5.1
115.05448	6.3
117.03360	15.2
119.04926	10.5
119.08585	16.6
120.08076	9.5
121.06523	11.6
121.10155	8.7
123.04400	5.5
123.08066	9.0
123.11743	7.7
129.10248	10.9
130.05031	5.7
133.10155	11.8
135.11694	60.3
137.05983	10.4
141.10249	7.8
145.02834	39.5
146.03166	13.3
146.11728	12.1
147.04401	8.0
147.11519	5.6
149.05998	5.1
149.13280	7.0
151.03796	6.3
151.11154	8.1
151.14888	6.4
165.05479	5.6
167.07031	17.6
175.03929	8.7
175.14807	15.7
176.04250	6.8
177.05455	72.4
178.05832	17.9
180.07704	7.6
183.11263	6.9
193.15881	29.7
200.13974	19.5
201.05540	9.7
201.12334	10.2
207.06563	13.3
208.06873	8.8
211.16939	33.9
252.07848	5.6
259.09592	5.5
269.08228	7.0
295.09799	7.5
300.09857	6.1
313.10910	7.0
327.12482	6.9
355.11700	9.2
373.13400	16.9
373.18054	12.5
374.13419	6.6
385.11673	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	373.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
56.05030	10.9
60.04519	6.7
69.07066	5.5
70.06596	40.3
70.76947	2.2
70.77290	4.7
72.08156	29.6
73.04729	3.0
74.00668	2.0
74.06089	3.5
84.03987	2.5
84.04501	52.6
84.08147	26.9
86.09706	100.0
88.03987	11.7
91.05821	12.5
101.07146	3.9
102.05538	3.5
107.04933	2.5
110.07175	3.3
112.08710	3.7
112.23087	2.1
115.08720	2.9
115.20861	1.8
116.01720	1.8
116.07105	5.7
117.03351	2.1
121.01082	2.8
129.10251	11.4
130.04999	52.1
130.08627	1.9
132.04448	8.8
134.05943	2.8
135.02652	7.2
135.04446	2.1
135.06789	3.9
136.02170	14.1
136.07567	3.7
137.05972	4.8
137.52864	1.7
146.06035	2.5
147.02655	5.8
147.04442	2.4
147.07629	35.2
148.03964	2.8
149.00557	24.2
150.05510	9.0
151.02130	4.7
162.02214	5.6
162.03729	30.6
162.05515	5.2
163.02158	6.6
163.03966	3.8
163.06282	19.9
164.01657	29.7
164.07074	21.0
165.07843	10.5
166.00916	2.2
173.09248	4.3
175.02174	2.9
177.03711	7.4
177.05338	1.9
178.08650	2.4
179.01585	5.1
181.03210	6.5
185.16447	11.3
190.03226	19.0
191.01584	3.2
196.04259	27.7
198.05804	14.5
199.18044	10.5
203.10292	2.6
205.03185	28.5
209.02710	25.9
209.06822	20.2
210.02165	21.8
213.15981	5.4
217.01884	2.7
222.05840	48.1
227.17546	5.3
232.04285	4.2
233.02916	1.9
242.04802	10.3
244.06342	6.1
249.06833	2.1
251.03728	30.4
260.16034	8.8
268.06406	22.1
270.97382	2.6
284.05777	2.7
285.08954	9.7
287.00592	5.3
291.07886	2.7
305.01663	2.7
314.06949	5.4
327.10089	83.4
328.10306	3.7
331.09595	18.9
337.08615	6.6
356.07651	2.2
357.06577	2.9
373.10645	34.4
373.25497	5.8
374.11142	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	373.1279
Annotation	2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.72532	0.5
53.03940	0.8
58.32542	0.6
66.95331	0.5
67.05482	0.5
69.07047	0.8
70.06582	0.8
70.22556	1.8
72.08147	0.8
72.61600	0.5
77.03936	0.9
79.05477	1.5
81.07037	1.1
84.08128	0.5
86.09689	1.0
91.05441	1.4
95.04944	1.4
95.08623	0.8
98.21444	0.7
103.05460	10.5
104.03672	0.6
105.03377	1.8
105.07020	0.9
107.04950	1.0
107.08583	0.5
109.06515	1.6
109.10137	0.6
115.75145	0.7
125.84953	0.5
131.04936	5.3
131.08691	0.5
133.02890	0.8
135.04385	2.7
137.05997	1.1
145.02751	0.5
149.05962	2.3
151.07562	0.7
159.04385	15.7
159.05553	4.0
165.05476	13.0
166.02705	0.5
167.07085	1.0
177.05438	1.4
181.04918	1.7
184.03677	0.6
187.03882	100.0
188.04204	3.3
191.06906	0.7
194.05753	1.4
201.30983	0.6
206.05745	1.3
207.06474	1.5
209.08086	3.5
221.08087	5.2
228.58937	0.5
265.28830	0.5
274.68396	0.6
311.09003	0.6
341.10172	44.5
342.10480	2.3
355.11716	9.3
360.84641	0.6
373.12830	8.0
374.12857	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	373.1283
Annotation	Glycosmisic Acid
Peak:m/z	Relative Intensity
53.03937	2.9
55.01872	5.6
55.05500	4.2
56.05029	2.6
63.01456	1.8
65.03937	10.6
67.05497	6.3
68.99793	4.5
69.03430	6.9
69.07047	3.6
69.20798	1.7
69.81051	9.9
70.06587	29.9
71.06919	1.7
72.08157	14.8
73.02917	2.8
74.06078	2.5
77.86784	1.9
79.05485	7.6
81.03419	5.2
81.07029	3.5
84.04485	7.9
84.08140	24.5
85.02896	13.5
86.09704	32.9
87.00820	2.9
89.03912	2.9
91.05432	12.2
93.07021	3.7
95.04958	7.0
97.02903	7.2
99.04440	3.2
102.05539	3.6
103.05481	6.2
105.07021	7.1
107.04959	12.7
108.08048	2.1
109.02870	3.8
109.10146	2.5
110.03653	5.8
110.07162	8.6
111.04449	5.0
112.08711	2.0
114.05501	2.0
115.05435	3.6
117.03391	6.2
117.06956	2.1
118.03750	1.9
119.04946	4.2
119.08570	2.8
120.04474	11.4
120.08093	13.1
121.02869	19.5
121.06506	8.1
122.06069	3.7
123.04449	7.7
123.07996	2.1
125.05966	5.7
127.03915	7.7
129.10237	18.6
131.04944	7.4
133.02878	2.9
133.06442	11.0
135.04419	3.8
135.08012	3.3
136.07579	7.3
137.05954	11.5
145.02846	14.0
145.04936	4.0
145.06512	5.6
146.03214	7.9
147.04425	6.0
147.07957	3.2
149.02406	2.5
149.05945	5.3
151.03851	5.3
152.06192	6.2
153.05484	8.5
153.06929	4.6
155.08315	2.8
156.04768	6.9
159.02924	2.2
160.05240	2.3
161.05978	19.9
162.05495	2.8
163.03900	6.2
165.05580	4.4
165.07025	12.9
166.08710	4.1
167.07060	24.1
167.08592	5.4
169.06487	4.8
171.06544	4.3
172.03966	3.8
172.05269	2.2
173.06010	4.8
175.03918	3.5
175.07536	7.9
177.05498	39.4
177.07001	5.0
178.05838	12.9
178.07619	3.9
179.07031	8.7
179.08589	5.1
180.07768	4.9
181.04961	26.7
181.06514	15.3
182.05583	2.0
182.07260	8.9
183.06604	3.4
183.08080	6.4
188.03404	47.5
189.05466	2.7
191.07016	10.1
191.08592	2.7
193.06485	5.7
194.07173	9.4
195.08055	19.1
196.08754	3.3
197.05956	10.5
197.09650	5.2
198.06729	4.7
201.05467	7.6
203.06999	22.0
203.08505	2.1
204.06668	5.2
205.06497	8.0
206.04433	4.7
206.07242	2.8
207.04713	2.2
207.08078	8.2
208.05270	2.3
208.08762	2.8
209.06024	7.8
209.09570	4.3
210.06680	13.8
211.07561	23.7
212.08377	7.0
213.09154	8.6
219.06340	2.5
220.05786	3.6
221.06033	9.2
222.06723	7.8
223.07524	34.2
224.08289	28.0
225.05394	5.4
225.08961	13.2
226.06310	9.1
227.07040	8.4
227.10692	3.8
228.07820	3.0
233.05980	4.0
234.06738	4.8
235.07478	10.9
236.04715	6.6
236.08232	8.0
237.05484	7.6
237.09119	8.3
238.06277	11.9
239.07024	47.7
239.10759	8.8
240.07758	17.1
241.08562	12.4
242.09225	4.1
243.06598	2.6
248.04395	2.5
249.09235	5.3
250.06400	3.4
251.07011	21.4
252.07780	24.3
253.05153	3.3
253.08569	62.7
254.05777	3.4
254.09262	10.7
255.06567	7.3
255.10214	8.4
256.07199	4.2
257.08090	7.8
263.07043	5.1
264.07733	4.6
265.05103	3.0
265.08627	6.5
266.05731	5.1
266.09338	2.4
267.06808	11.0
267.10049	20.6
268.07352	23.5
268.10199	2.5
269.08044	29.5
270.08786	9.4
271.09546	11.5
273.11118	4.8
277.05066	2.4
277.08493	4.3
279.06628	10.9
280.07373	7.5
281.08127	22.7
282.05481	2.8
282.08783	6.9
283.06393	2.6
283.09619	53.8
284.10269	8.8
284.13226	9.6
285.07642	5.0
285.11267	6.6
286.08307	6.5
293.07980	2.6
294.08759	3.4
295.06616	3.0
295.09668	16.5
296.06689	2.8
297.07681	20.4
297.11032	3.7
298.08203	9.8
299.09430	5.2
299.12866	14.0
300.09836	10.9
301.10696	8.0
304.80298	2.2
308.06836	2.8
309.07675	5.6
311.09131	35.4
312.09848	10.7
313.10687	92.9
314.11179	7.7
315.12183	27.1
323.09235	12.8
324.06454	2.9
324.09894	8.2
325.07037	4.0
325.10553	4.1
326.11551	2.4
327.08517	3.4
327.12299	69.2
328.09302	5.1
328.12689	4.6
337.11044	3.7
339.08621	5.9
340.09454	6.6
341.10300	81.4
342.10773	9.8
343.11743	87.3
344.12158	4.2
345.13406	29.4
346.13776	2.2
355.11734	69.6
356.12234	5.6
373.12915	100.0
373.28165	2.6
374.13004	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	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03944	3.4
55.01854	6.5
55.05500	6.8
57.03429	6.7
57.07051	2.6
61.02924	15.3
64.55928	2.0
67.05478	6.3
69.03430	37.0
69.07059	12.9
70.06604	10.6
71.03731	5.6
71.04987	5.8
72.08138	4.2
73.02911	5.5
78.09577	2.5
78.96609	2.0
79.05488	6.6
81.03397	16.6
81.07043	11.7
83.04990	4.1
83.08629	3.4
84.04482	2.4
84.08134	7.0
85.02904	99.6
85.06516	2.3
86.09702	6.8
87.04469	5.4
91.03925	6.9
91.05862	13.3
93.07022	9.5
95.04961	20.2
95.08607	9.1
97.02883	38.6
97.06514	5.3
99.04430	7.9
101.06021	2.6
102.05511	2.5
105.07010	8.9
107.04953	2.9
107.08599	12.8
109.02863	10.5
109.06493	8.8
109.10147	5.1
110.07159	2.4
119.04962	2.0
119.08564	7.5
120.08053	3.7
121.02804	2.5
121.06501	8.5
121.10105	6.8
122.07295	5.9
123.08036	22.5
123.11719	3.9
127.03912	29.0
129.10275	4.6
131.08548	2.3
133.10129	6.2
135.08051	33.1
135.11667	5.4
136.28787	2.3
136.56612	2.0
137.05972	7.4
145.02820	2.7
145.04951	45.6
145.10118	2.7
147.04370	2.4
147.06558	3.4
147.11670	7.9
148.08710	2.8
149.09599	5.4
163.06030	5.0
165.11424	4.6
165.12749	65.5
167.07048	9.0
175.14839	4.0
176.12035	2.9
177.05453	6.9
191.14310	100.0
192.14604	2.7
193.15877	9.5
207.13783	3.2
209.15323	14.6
217.08652	2.6
261.09021	2.2
285.00858	5.0
285.07724	2.7
309.16879	2.6
311.10040	3.5
325.07913	3.5
327.17877	4.2
355.06949	3.0
371.10596	4.4
371.15329	4.4
371.20560	47.6
371.25238	4.6
387.49176	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	372.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33076	0.2
55.01859	0.2
55.05511	0.3
60.04528	0.3
63.02366	0.3
65.03931	0.5
67.05511	0.3
69.03425	0.4
70.06585	1.4
72.08147	0.9
74.57113	0.2
78.04708	0.5
79.05486	0.5
81.07054	0.7
83.04978	0.6
84.04495	3.7
84.08133	0.7
85.02894	0.6
86.06055	4.0
86.09701	1.3
89.03912	9.5
91.05434	1.7
93.07027	0.5
93.76592	0.2
95.04989	0.3
95.08595	0.3
97.02928	0.3
98.09689	0.5
98.21533	0.6
100.07611	0.5
101.07111	0.3
103.05464	1.0
106.04151	0.6
107.04932	0.6
107.08607	0.2
110.07141	0.6
111.04428	1.0
115.05460	1.4
116.07008	0.3
116.10741	0.9
117.03373	29.4
117.06998	1.5
118.03675	0.7
119.04910	0.7
119.08530	0.3
120.08083	0.6
121.06497	0.5
124.05223	0.3
128.07065	1.2
129.10220	0.3
130.04993	0.7
131.04930	0.3
132.04410	0.3
133.06549	0.3
134.03629	2.0
135.04440	2.1
136.07600	0.4
137.05965	1.2
137.09616	0.3
143.04860	0.7
145.02837	62.2
145.06490	3.4
146.03181	1.1
147.04347	0.3
147.11627	0.3
148.07542	0.4
149.04778	0.6
149.05974	9.4
150.06421	0.3
151.03873	0.7
151.07574	0.5
155.06009	0.6
158.06021	0.7
161.06001	0.4
162.03099	0.6
162.05481	0.3
163.03947	0.7
164.07011	0.4
167.07028	3.0
168.07397	0.3
173.05998	3.1
175.07521	1.0
177.05460	100.0
178.05840	2.5
179.07030	0.7
181.04922	1.4
186.05499	2.7
196.09708	0.8
205.08607	1.0
218.08704	0.3
222.07713	0.3
226.14326	0.7
229.49297	0.3
236.09225	0.3
239.10266	0.6
241.08386	0.3
248.09172	8.1
249.09361	0.4
250.09390	0.5
257.08142	0.3
283.09711	0.3
301.10428	0.4
311.08957	0.3
322.11652	0.3
327.11819	0.3
340.12424	0.3
343.11755	0.5
354.13950	0.4
372.14932	1.3
372.21445	1.1
373.12857	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	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.58226	2.0
53.03933	5.7
54.93793	2.3
55.01862	4.5
55.05508	24.1
56.05024	5.3
57.03433	6.5
57.07063	18.4
57.30110	2.3
59.05008	5.3
60.04505	3.7
66.79320	2.3
67.05511	13.4
69.03422	27.8
69.07070	32.3
69.59984	8.0
69.60418	8.7
70.06590	67.3
71.04989	6.7
71.06892	2.7
71.08614	2.9
71.15752	2.2
72.08147	28.4
73.04740	6.5
74.81837	2.7
79.05489	26.1
81.03426	13.3
81.07052	100.0
81.07536	5.2
83.04982	16.1
83.08614	55.5
83.09026	1.5
84.04507	22.0
84.08143	26.4
85.02907	20.7
85.06523	4.3
86.09699	37.0
89.03911	4.8
91.05421	8.6
91.05817	10.1
93.07040	30.0
95.04958	9.4
95.08593	17.2
97.02885	15.4
97.06521	6.2
98.21500	4.4
99.04431	8.9
99.08037	4.4
101.07146	6.5
102.05580	2.9
103.05470	5.8
105.03383	3.3
105.07021	14.2
107.04932	4.2
107.08594	34.6
109.02882	7.1
109.05808	4.4
109.06513	60.9
109.10144	33.5
110.07162	9.7
111.04423	4.6
111.08095	20.8
112.08749	4.9
115.08643	2.5
116.07059	2.3
117.03379	12.2
119.04909	5.1
119.08579	10.7
120.08112	9.8
121.06490	8.3
121.10136	30.2
123.04423	4.2
123.08083	6.8
123.11701	28.9
125.06926	2.6
125.09617	4.7
125.13285	6.4
127.03930	16.5
127.07584	4.7
129.05475	4.6
129.10237	11.9
130.05042	3.2
131.08578	3.9
133.10146	9.6
135.04459	2.8
135.08044	13.4
135.11722	6.3
136.07590	3.0
137.05971	5.5
137.09636	3.0
139.07500	3.7
139.11169	2.9
145.02831	32.0
145.04941	3.2
146.33470	2.3
147.04425	3.0
147.07933	2.6
147.11609	2.9
149.05988	5.0
149.09593	17.4
149.13260	47.6
151.11185	6.7
152.07076	3.5
153.09109	7.0
157.10751	3.2
159.07986	2.8
161.06010	3.5
161.09656	3.0
163.07564	7.7
163.14810	10.1
167.07027	17.5
167.14307	66.3
169.12291	4.7
171.10144	8.0
173.13200	9.2
175.07394	3.2
177.04094	4.0
177.05489	46.6
177.09114	2.5
191.06966	11.7
191.14323	29.4
193.08669	3.3
204.06407	2.3
206.57225	2.7
207.04810	2.7
207.06494	3.8
209.07098	4.0
209.15361	33.8
217.08492	3.7
227.16493	4.1
268.97754	4.0
270.19394	3.6
285.00955	8.4
325.08231	6.4
335.18512	5.8
343.24255	2.4
353.14087	4.5
353.19482	7.0
355.06863	3.8
371.11502	5.5
371.16193	4.1
371.20602	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	372.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19368	0.3
55.05504	0.9
56.05018	0.5
56.58681	0.3
57.07049	0.5
60.04498	0.5
67.05508	0.5
68.93504	0.3
69.03428	0.5
69.07063	1.3
70.06586	2.2
72.08141	1.0
79.05483	0.6
81.03411	0.4
81.07050	1.0
84.04488	0.8
84.08131	1.6
85.02904	0.4
86.09704	100.0
87.10023	1.6
89.03913	0.9
91.05462	0.9
93.07024	0.6
95.08578	0.7
97.02877	0.5
103.05470	0.5
103.76811	0.3
105.07054	0.5
107.04910	0.7
107.08553	0.4
109.10109	0.4
110.07156	0.4
116.98632	0.4
117.03385	3.6
119.08579	0.4
120.08108	0.9
121.10233	0.3
129.06947	0.5
129.10286	0.5
131.04941	1.2
133.06538	0.5
137.05989	1.8
138.06346	0.5
140.72520	0.3
145.02841	6.4
146.11754	14.5
149.05969	1.0
164.07082	0.4
165.00349	0.3
167.07071	1.0
171.18465	0.4
173.05968	0.4
177.05464	12.4
178.05843	0.8
199.03624	0.3
199.18057	29.3
200.18347	0.9
201.05464	0.4
208.09694	1.6
218.08574	0.4
227.07004	0.4
227.17543	12.3
228.18050	0.4
237.02779	0.6
240.07158	0.5
248.09183	0.6
259.20142	4.4
267.73575	0.4
284.80692	0.3
286.07910	0.4
293.08270	0.3
301.10397	0.4
354.13968	0.5
355.11349	0.4
372.12308	2.5
373.13165	1.0
397.53384	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	372.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19368	0.3
55.05504	0.9
56.05018	0.5
56.58681	0.3
57.07049	0.5
60.04498	0.5
67.05508	0.5
68.93504	0.3
69.03428	0.5
69.07063	1.3
70.06586	2.2
72.08141	1.0
79.05483	0.6
81.03411	0.4
81.07050	1.0
84.04488	0.8
84.08131	1.6
85.02904	0.4
86.09704	100.0
87.10023	1.6
89.03913	0.9
91.05462	0.9
93.07024	0.6
95.08578	0.7
97.02877	0.5
103.05470	0.5
103.76811	0.3
105.07054	0.5
107.04910	0.7
107.08553	0.4
109.10109	0.4
110.07156	0.4
116.98632	0.4
117.03385	3.6
119.08579	0.4
120.08108	0.9
121.10233	0.3
129.06947	0.5
129.10286	0.5
131.04941	1.2
133.06538	0.5
137.05989	1.8
138.06346	0.5
140.72520	0.3
145.02841	6.4
146.11754	14.5
149.05969	1.0
164.07082	0.4
165.00349	0.3
167.07071	1.0
171.18465	0.4
173.05968	0.4
177.05464	12.4
178.05843	0.8
199.03624	0.3
199.18057	29.3
200.18347	0.9
201.05464	0.4
208.09694	1.6
218.08574	0.4
227.07004	0.4
227.17543	12.3
228.18050	0.4
237.02779	0.6
240.07158	0.5
248.09183	0.6
259.20142	4.4
267.73575	0.4
284.80692	0.3
286.07910	0.4
293.08270	0.3
301.10397	0.4
354.13968	0.5
355.11349	0.4
372.12308	2.5
373.13165	1.0
397.53384	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	372.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02369	0.6
65.03950	0.3
67.05513	0.5
69.03414	0.5
69.07055	1.9
70.06596	1.2
71.04967	0.3
71.51555	0.4
71.51921	0.3
72.08145	0.5
78.04699	0.5
79.05489	0.7
81.07043	0.7
84.04498	0.7
84.08129	0.9
85.02884	0.6
86.03253	0.3
86.09700	37.2
89.03912	8.3
91.05451	2.9
93.07030	0.7
95.04971	0.4
95.08606	0.5
97.02883	0.8
98.38713	0.3
99.08173	0.3
103.05463	0.8
105.07024	0.4
106.04180	0.3
107.04935	0.5
108.15555	0.3
109.10147	0.3
110.07130	0.3
115.05453	1.1
117.03369	25.7
117.07009	1.9
118.03681	0.5
119.04903	0.9
120.08105	0.4
121.06511	0.8
121.10065	0.3
123.04453	0.5
129.10217	0.5
131.04884	0.5
134.03586	1.5
135.04440	2.1
136.05167	0.8
137.05936	0.8
143.04846	0.3
145.02834	57.5
145.06470	3.0
146.03183	1.2
146.11748	4.7
149.05966	9.2
151.03848	0.5
151.07500	1.5
155.05988	0.4
158.05971	0.6
160.05182	0.5
163.03885	0.7
164.06999	0.4
167.07024	6.3
168.07358	0.3
173.05966	2.9
175.04041	0.3
175.07567	0.9
177.05457	100.0
178.05815	3.5
179.07016	3.0
181.04939	1.2
186.05466	3.2
196.09776	0.4
199.16206	0.4
199.18025	8.7
205.08559	0.9
206.82220	0.3
218.08200	0.4
227.17494	4.3
248.09145	8.0
249.09412	0.4
250.09312	0.3
259.20135	2.3
305.21338	0.3
372.14255	1.2
372.21436	0.4
373.13635	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01866	3.3
55.05511	27.3
56.05041	2.9
57.03430	7.1
57.07071	19.4
58.67751	1.5
59.04988	3.7
61.02913	2.6
62.61692	1.4
65.03941	1.6
67.05508	14.1
68.05005	1.5
69.03074	2.6
69.03429	24.0
69.07068	30.4
69.71090	6.2
69.71504	4.8
70.06590	46.0
71.01344	1.8
71.04988	4.6
71.08633	3.5
72.08154	19.0
73.02921	2.3
73.04752	2.3
73.08485	2.1
74.06094	2.3
74.61658	1.8
79.05064	2.7
79.05489	28.6
81.03416	11.4
81.07053	100.0
83.04977	18.4
83.08620	44.7
83.65082	1.5
84.04492	14.7
84.08141	23.4
85.02902	25.1
85.06531	5.8
86.09701	28.0
87.05604	1.9
87.09995	2.2
88.03989	2.0
89.03904	7.7
91.05440	7.1
91.05823	7.9
93.07038	33.5
95.04969	8.8
95.08605	17.5
97.02889	13.0
97.06529	12.6
97.10153	2.5
99.04449	6.0
101.07128	2.1
102.05569	3.6
103.05457	2.6
105.03365	4.2
105.07022	15.1
107.04955	6.2
107.08590	36.4
109.02868	7.2
109.06516	56.6
109.10152	39.9
110.07150	6.4
111.04440	4.4
111.08076	18.4
112.08695	3.7
113.09612	2.0
115.03941	2.4
115.05493	1.5
115.08707	2.1
116.07086	2.9
116.99524	1.6
117.03365	21.6
117.07011	2.9
119.04938	4.5
119.08573	10.9
120.08097	10.3
121.06505	7.0
121.10143	30.9
123.04435	1.9
123.08090	7.7
123.11701	25.8
123.62901	1.8
125.06062	2.3
125.09621	4.3
125.13242	10.2
127.03908	19.4
127.07561	2.5
128.43936	1.7
129.05515	2.0
129.06964	2.0
129.10246	12.9
130.04965	3.1
130.06563	1.6
130.08678	1.9
131.04907	1.9
131.08563	5.6
133.06461	3.9
133.10115	10.7
135.04443	2.9
135.08067	13.3
135.11685	6.5
136.06248	1.8
136.07538	2.1
137.05988	5.8
137.09607	6.8
139.07542	4.0
139.11189	3.8
145.02841	48.6
145.05034	3.1
145.06459	2.2
145.10094	3.8
146.05965	1.6
147.04408	6.1
147.07961	1.8
147.11691	4.5
149.05972	8.4
149.09621	16.1
149.13248	52.5
149.14384	3.3
150.05449	2.7
151.11162	6.8
151.14793	2.3
151.64758	1.6
152.07045	2.3
153.09064	9.8
159.07921	1.8
161.05971	2.8
161.09636	2.9
162.05576	2.1
163.03926	3.3
163.07556	8.5
163.11163	2.0
163.14815	9.9
165.09155	5.4
165.12836	2.3
167.07047	18.4
167.14304	64.9
169.12231	3.6
171.10190	6.8
172.03809	2.0
173.05922	2.8
173.13213	7.5
175.03937	2.4
175.07532	3.6
176.04408	2.3
177.05476	87.0
179.14401	2.3
181.04872	2.1
181.08592	2.2
183.14928	2.7
187.07587	2.4
187.10907	2.2
189.09059	3.5
189.37187	1.6
191.07027	12.0
191.14308	30.7
193.08607	4.7
201.12421	2.2
207.04787	2.6
207.06554	6.7
208.06960	4.0
209.07094	3.0
209.15359	33.9
210.05766	1.8
217.08748	2.3
227.16467	4.4
248.09151	2.0
266.08612	1.9
270.19257	2.0
277.08856	2.1
281.07877	2.0
285.01050	4.0
293.08279	1.9
301.98691	1.5
307.09866	2.0
321.11478	1.9
325.08197	2.8
335.18616	2.5
353.06543	2.0
353.14038	3.0
353.19739	5.5
355.07114	4.0
371.11337	2.7
371.15668	6.1
371.20755	5.2
372.14810	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
54.44836	2.9
55.01857	5.6
55.05513	22.0
57.07062	4.8
65.03916	4.9
67.05500	85.9
68.99794	3.4
69.03423	5.9
69.07068	19.8
70.06590	12.7
71.04989	58.4
71.08606	4.8
71.55354	3.8
71.55779	3.4
72.08147	7.0
73.02885	3.4
79.05492	58.1
81.07051	89.2
83.04983	7.3
83.08601	9.5
84.04488	8.4
84.08135	8.4
85.06532	32.1
85.11597	2.7
85.56374	2.8
86.09681	11.1
87.00812	12.5
89.03909	6.0
91.05423	45.8
93.07041	63.3
95.04955	7.0
95.08604	75.0
97.02877	4.5
97.06517	6.6
97.10173	5.7
99.08089	7.5
101.06011	6.6
105.07043	31.3
107.04945	5.5
107.08591	41.2
109.06538	7.3
109.10159	34.2
110.07130	3.9
111.04427	5.0
111.08071	8.2
117.03391	18.3
117.07014	6.8
119.04921	4.3
119.08590	27.9
120.08116	8.1
121.06513	3.3
121.10143	100.0
122.03677	3.5
123.08051	5.1
123.11729	15.2
125.09655	5.6
129.06972	5.8
131.04924	4.7
131.08575	17.8
133.06409	5.2
133.10133	33.2
135.08038	8.5
135.11691	38.5
137.05968	8.4
137.09612	4.3
137.13223	2.7
143.08546	6.3
144.70995	3.4
145.02831	33.5
145.10117	10.8
147.04376	5.2
147.06479	3.2
147.08058	3.7
147.11685	20.1
149.05966	7.1
149.09624	7.0
149.13254	8.5
151.07556	3.3
155.08342	2.9
157.10097	6.7
159.11636	7.4
161.09677	4.2
161.13251	9.8
163.11182	5.3
163.14777	4.1
165.09128	3.6
165.12752	4.0
167.07004	15.0
167.10693	5.4
170.83209	3.5
171.11688	9.9
173.09555	3.2
175.11179	5.3
175.14862	4.8
177.05516	50.9
185.13264	5.5
187.14861	5.3
193.12186	5.7
203.17970	47.5
207.06551	3.1
208.06807	3.6
213.16383	19.2
217.08577	5.3
221.18988	17.7
231.17444	17.2
233.09364	3.6
239.19992	19.3
247.16843	4.7
248.09093	4.6
249.18533	19.8
267.19476	4.0
268.97693	3.7
278.09521	3.4
285.00992	4.3
285.20557	4.8
293.11591	3.6
295.09460	3.2
300.09897	4.4
307.19019	5.0
309.11191	3.8
321.11234	3.6
339.12628	4.9
353.19772	3.7
355.07108	4.3
371.11063	3.3
371.15594	5.7
371.20651	11.2
371.25470	5.2
394.89972	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	371.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01827	1.5
55.05515	2.4
56.05024	3.0
57.07067	1.6
58.48509	1.5
59.52674	1.7
59.77875	1.3
61.01118	2.2
67.05495	1.6
69.03405	1.9
70.06591	24.4
70.16050	1.5
71.08618	1.9
71.51160	1.8
72.08143	6.7
72.93800	1.6
73.04754	21.4
74.06075	2.1
75.02682	2.2
75.08782	1.6
81.03387	2.0
83.06090	2.6
84.04111	1.6
84.04510	14.2
84.08148	25.7
85.02885	2.5
85.43990	1.5
86.09701	14.2
90.05545	2.3
90.94840	1.6
91.05801	100.0
95.04975	2.3
101.05986	1.9
101.10785	1.5
107.04948	3.1
108.95878	1.4
109.06851	1.4
110.06077	1.8
110.07178	4.9
111.04444	2.7
113.07114	1.7
114.07352	4.5
116.07044	1.6
119.04909	1.9
123.04420	3.6
129.05466	4.2
129.06572	3.1
129.10214	7.1
130.05043	1.7
133.02843	2.1
136.06250	2.0
136.07510	2.8
137.05983	5.2
144.06557	2.0
147.04387	2.5
147.06506	3.1
148.04735	2.7
151.03859	3.2
152.07062	1.8
158.09367	1.9
158.97446	3.2
164.07076	2.6
167.05493	4.1
167.06886	1.8
169.03453	2.9
169.13356	2.4
176.04619	1.9
179.03380	6.1
187.10732	1.9
197.12834	1.8
202.10732	2.4
208.07240	1.6
208.98911	2.3
212.10181	2.0
220.11803	6.2
227.00011	3.9
234.98994	5.5
250.01666	1.9
266.99945	4.6
268.94968	1.7
268.97830	27.1
270.95776	2.0
283.03101	4.1
285.00970	41.1
299.06201	6.7
303.01953	10.1
355.06995	25.9
371.03629	10.1
371.08047	2.6
371.23123	4.9
373.07968	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	371.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27924	0.6
55.01868	0.7
55.05495	1.2
62.01668	0.7
69.03399	0.6
69.67770	5.2
70.06595	4.3
71.48705	0.6
72.08163	0.7
79.05477	1.3
81.07051	1.3
83.01488	0.6
84.04492	1.1
84.08115	1.9
85.02843	0.9
86.09706	6.1
87.10014	1.7
91.05390	0.9
91.05876	1.0
93.07034	1.0
102.33733	0.8
103.05472	0.8
105.07025	1.0
107.04955	1.8
110.07183	1.1
116.07075	1.9
119.01859	1.4
119.04909	1.2
120.08105	5.6
121.08417	3.0
129.07010	0.8
129.10231	1.0
131.08524	0.8
137.05984	3.9
145.02802	0.9
147.04343	1.0
151.03897	1.2
156.05673	1.2
159.08055	0.9
167.06989	3.2
167.09073	0.9
175.07529	1.2
176.04260	0.8
177.05421	2.2
177.10149	1.5
178.10574	1.4
187.07481	0.9
208.06876	0.8
217.08620	3.8
221.09326	0.7
227.05269	1.1
230.27815	0.8
239.07039	0.9
241.08640	1.0
247.09702	1.2
249.09178	0.9
252.07826	0.8
261.09073	0.8
263.06854	0.7
269.08200	1.0
271.04205	1.1
277.08612	0.8
285.01132	0.7
285.07529	1.4
285.12988	2.9
293.11624	0.8
295.09500	1.1
300.09952	1.8
303.12875	1.2
321.11319	0.9
325.08215	1.3
327.14127	26.4
341.10294	0.8
353.13947	2.4
371.13132	100.0
372.13498	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	370.176
Annotation	Gly Phe Phe
Peak:m/z	Relative Intensity
69.03437	0.2
70.06612	0.9
72.08155	0.2
79.05508	0.3
84.04488	0.2
86.09702	0.2
91.05407	0.8
92.05817	0.4
93.07047	0.8
98.21432	0.2
101.28066	0.1
103.05459	2.8
107.04951	0.4
108.78060	0.2
116.90513	0.2
118.06528	0.2
119.04947	0.7
120.08105	100.0
121.08450	1.9
127.03854	0.2
131.04918	0.5
137.06039	0.3
141.29517	0.1
147.04410	0.7
148.04776	0.5
148.07538	0.2
149.06012	0.5
154.14598	0.2
159.08005	0.2
160.71881	0.2
166.08641	11.9
167.07094	0.3
167.08861	0.2
175.03922	0.7
176.04292	0.8
177.10229	36.8
178.10567	0.8
187.07620	0.2
205.09723	5.4
207.06538	1.1
208.06859	1.8
217.08568	0.4
234.06625	0.2
276.65131	0.2
285.07727	0.2
293.11694	0.2
313.15485	0.5
353.13727	0.2
354.98965	0.2
370.12320	0.3
374.00284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75053	9.0
70.06596	18.1
71.50859	12.8
72.08147	10.7
73.13415	10.2
82.74220	10.4
91.05779	14.6
94.93006	42.2
96.92809	21.7
136.06154	31.3
136.94008	24.4
152.04053	11.5
172.99216	10.3
196.87863	46.7
198.87633	53.8
204.87083	24.0
204.88885	20.5
208.13463	10.8
214.84993	100.0
223.08173	11.5
232.92081	11.3
234.92099	15.4
242.09032	10.0
250.21590	11.5
250.89774	10.5
371.07504	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	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78011	2.5
55.01862	2.7
55.05500	7.1
56.05012	4.8
57.03434	7.5
57.06803	3.9
57.07072	73.8
69.03419	6.5
69.07056	8.0
70.06586	48.3
71.24490	5.0
72.08157	36.3
73.02904	6.6
73.04747	3.3
79.05466	4.7
79.72549	2.8
81.03409	4.7
81.07006	3.6
83.06117	4.4
84.04485	13.7
84.08144	29.7
85.02903	14.6
85.06546	62.8
86.09704	44.8
88.03967	3.8
91.05438	9.5
91.05860	6.4
92.05803	6.4
95.01319	7.0
95.04964	5.0
96.08085	2.9
97.02878	5.3
101.07130	3.2
103.07584	7.4
105.00264	3.1
107.04922	4.4
107.07345	3.2
110.07156	26.4
112.08745	3.9
113.02341	3.3
116.07082	4.1
117.03384	6.4
119.04914	14.5
120.05267	11.7
120.07343	3.2
120.08066	17.5
120.66258	3.0
121.08543	2.8
123.04400	4.4
124.07584	6.5
127.03896	3.6
129.10219	17.7
130.04980	5.7
136.06215	3.8
136.07533	9.7
137.05939	9.0
138.91859	3.3
141.01778	19.2
145.02850	14.3
147.04417	8.7
148.04791	8.6
150.05453	4.0
152.07069	7.4
156.07661	3.3
159.10167	100.0
165.07845	4.2
166.08632	14.0
167.06995	6.7
171.14885	4.0
175.03894	16.7
176.04243	23.5
177.05452	24.1
177.11229	53.6
179.03354	7.0
180.06569	3.8
207.06493	31.1
208.06891	46.1
208.09724	10.6
230.08109	3.3
238.11931	3.2
280.10440	3.5
282.09766	6.3
285.00851	6.6
355.06787	4.3
370.11670	6.2
371.16196	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	370.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06109	1.0
61.02915	1.6
69.03430	4.7
70.06591	3.1
71.04980	0.8
71.51244	0.9
72.08136	1.3
73.02885	0.9
73.04750	1.8
74.56815	0.5
80.04986	1.4
81.03403	2.6
84.04493	1.0
84.08134	2.2
85.02900	8.4
86.09676	1.7
87.04467	0.7
91.05792	10.5
97.02888	3.8
105.08779	0.6
109.02886	1.1
110.07150	2.5
119.04999	0.7
127.03916	1.5
129.10258	1.1
136.06142	0.8
136.07584	1.1
145.04915	1.5
148.03990	0.6
148.05003	3.4
152.07071	0.8
162.05525	1.5
167.05502	0.7
176.04546	90.9
177.04965	1.0
178.02773	0.6
178.04947	1.7
205.60390	0.6
208.07172	100.0
209.07480	1.6
261.73117	0.6
268.97861	2.9
285.00879	3.3
299.06210	0.6
303.02109	1.0
324.51260	0.7
355.07220	1.8
370.12399	7.1
373.07986	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	370.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
53.06011	0.2
55.01868	0.4
56.05019	0.5
56.24064	0.3
57.03426	1.3
59.05014	0.3
60.04522	0.6
61.02920	2.1
67.05501	0.4
69.03425	5.7
69.99983	1.4
70.06589	5.0
71.04970	0.7
72.08159	2.2
73.02900	0.4
73.04751	0.4
74.06059	0.6
77.47626	0.3
80.05010	0.8
81.03413	1.5
83.01318	0.2
83.04950	0.3
83.06100	0.3
84.04491	2.0
84.08144	3.7
85.02899	10.1
86.05997	0.3
86.09709	3.3
87.04477	1.2
88.03992	0.6
91.03941	0.9
91.05369	0.3
91.05813	1.0
97.02892	4.2
99.04446	0.7
102.05509	0.3
107.04930	0.5
109.02883	1.6
109.03513	0.3
110.07168	3.0
111.04395	0.3
115.08728	0.3
116.07101	0.5
117.03333	0.4
119.04918	0.6
120.05308	0.5
120.08112	0.9
123.04443	0.3
127.03923	2.6
129.10229	1.9
130.06531	0.3
133.02864	0.3
134.05963	0.3
135.04373	0.4
136.07552	0.9
137.05975	0.6
138.92368	0.3
145.02844	0.4
145.04956	1.5
146.02802	0.3
147.04420	1.6
148.05035	2.9
149.05864	0.5
150.05383	0.3
151.03835	0.5
152.07033	0.4
156.07632	0.4
162.05505	0.3
175.03822	1.3
176.04539	85.1
177.05054	1.6
179.03400	0.6
188.04634	0.4
207.06487	1.1
208.07156	100.0
209.07538	1.9
235.21205	0.3
263.74301	0.3
268.97891	0.4
285.01007	0.7
300.98950	0.2
306.80521	0.3
335.70267	0.2
355.07025	0.3
370.12448	3.2
370.24652	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
53.23394	2.1
53.26812	2.0
55.01852	3.4
55.05510	22.9
57.03439	13.1
57.07080	17.8
65.03939	3.4
67.05507	40.0
69.03419	5.5
69.07063	19.6
70.06602	3.0
70.95913	2.1
71.04964	6.9
71.08612	3.0
71.60004	2.4
71.60499	3.2
79.05497	23.3
81.03406	8.3
81.07059	44.3
83.04978	7.6
83.08608	6.2
85.02914	5.5
85.06525	6.0
85.10181	31.2
91.05485	25.3
91.08923	2.5
93.07051	23.6
95.04946	12.2
95.08163	2.2
95.08609	24.0
97.06487	5.8
97.10155	7.1
99.08092	4.1
105.07036	17.1
107.04945	3.6
107.08606	23.1
109.06504	5.8
109.10154	40.6
111.08098	2.9
113.09637	29.9
115.56512	2.6
119.08557	7.2
121.10137	9.1
123.08027	5.1
123.11714	7.1
125.09616	3.3
130.81404	2.2
131.08527	5.7
133.10103	18.5
135.11679	5.0
141.12747	2.6
143.08519	2.5
145.10109	2.9
147.04253	2.4
147.11685	9.4
149.09598	9.1
151.11148	8.5
153.12766	3.1
157.10159	4.4
161.13197	3.2
163.11142	3.1
165.12733	32.4
169.12210	6.3
175.03944	6.0
179.14236	4.8
189.11273	3.2
207.06529	9.3
241.19374	3.4
249.21997	3.7
277.21619	65.1
278.21948	3.5
295.22672	100.0
296.23062	3.2
369.13040	2.4
369.26691	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	370.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85146	0.3
52.39001	0.3
53.11293	0.3
53.27338	0.3
56.05021	0.3
60.04502	0.3
60.72160	0.3
69.03423	0.6
70.06588	1.9
71.50880	0.4
72.08154	0.8
73.04743	1.2
74.06071	0.5
74.16901	0.3
80.05014	0.6
83.06081	0.5
84.04498	1.0
84.08131	1.4
85.02885	0.5
86.09686	1.4
90.55363	0.3
91.05802	4.1
97.02891	0.6
100.46906	0.3
107.04947	0.4
109.02888	0.5
110.07178	2.9
116.07020	0.4
122.07150	0.5
123.04435	0.5
127.03888	0.4
129.05469	0.8
129.10173	0.5
135.04456	0.3
136.06119	0.5
136.07588	0.6
137.05946	0.5
138.05513	0.3
140.46931	0.4
145.92896	0.3
147.04343	0.4
148.05078	1.6
149.05920	0.5
150.03146	0.4
150.05504	0.7
152.07040	0.7
156.07623	0.9
159.88606	0.3
164.07060	0.3
173.80658	0.3
176.04543	100.0
177.04901	1.7
180.06569	0.9
192.29007	0.4
198.07706	0.5
208.07164	72.3
209.07475	1.1
251.15013	0.6
268.97891	0.7
285.00906	2.0
303.02124	0.4
355.07034	1.4
370.12415	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01864	4.7
55.05507	22.6
57.03438	15.7
57.07072	15.7
67.05502	47.8
69.03445	4.4
69.07069	29.2
70.06591	3.8
70.22552	7.6
70.22967	3.7
71.04984	6.8
79.05486	26.5
81.03409	5.3
81.06595	3.6
81.07051	53.8
82.07353	2.8
83.04964	8.5
83.08627	11.1
85.02888	2.4
85.06522	5.3
85.10178	29.8
86.09702	3.0
91.05480	29.8
93.07043	26.2
95.04964	19.4
95.08605	29.9
97.06517	7.2
97.10155	6.3
99.08082	3.7
101.62056	2.2
105.07040	20.1
105.93762	2.0
106.97254	2.1
107.04930	5.3
107.08582	22.7
109.06516	8.2
109.10156	32.5
111.08059	2.8
113.06007	2.3
113.09633	25.0
117.07020	3.9
119.04916	9.0
119.08569	12.0
120.08064	2.4
121.10156	11.7
123.08047	6.8
123.11674	5.6
125.09595	4.9
129.07010	4.7
131.08554	7.6
133.06529	2.9
133.10130	22.9
135.11658	7.7
137.09599	2.7
141.12820	2.7
145.09973	2.6
147.04387	5.8
147.11700	10.9
149.09624	6.0
149.13217	5.2
150.10046	2.0
151.11174	9.2
157.10098	2.5
161.13249	5.9
163.11139	3.7
165.12743	32.1
169.12227	6.0
171.11630	2.9
175.03914	9.6
175.11101	3.0
175.14801	3.6
179.14349	2.8
189.11180	3.5
207.06522	21.0
207.13756	2.4
208.06906	2.2
241.19397	2.2
249.22142	3.0
257.07260	2.0
259.20566	5.5
269.17517	4.8
277.21634	66.4
278.21835	2.3
295.22681	100.0
296.23035	6.0
369.26550	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
53.23394	2.1
53.26812	2.0
55.01852	3.4
55.05510	22.9
57.03439	13.1
57.07080	17.8
65.03939	3.4
67.05507	40.0
69.03419	5.5
69.07063	19.6
70.06602	3.0
70.95913	2.1
71.04964	6.9
71.08612	3.0
71.60004	2.4
71.60499	3.2
79.05497	23.3
81.03406	8.3
81.07059	44.3
83.04978	7.6
83.08608	6.2
85.02914	5.5
85.06525	6.0
85.10181	31.2
91.05485	25.3
91.08923	2.5
93.07051	23.6
95.04946	12.2
95.08163	2.2
95.08609	24.0
97.06487	5.8
97.10155	7.1
99.08092	4.1
105.07036	17.1
107.04945	3.6
107.08606	23.1
109.06504	5.8
109.10154	40.6
111.08098	2.9
113.09637	29.9
115.56512	2.6
119.08557	7.2
121.10137	9.1
123.08027	5.1
123.11714	7.1
125.09616	3.3
130.81404	2.2
131.08527	5.7
133.10103	18.5
135.11679	5.0
141.12747	2.6
143.08519	2.5
145.10109	2.9
147.04253	2.4
147.11685	9.4
149.09598	9.1
151.11148	8.5
153.12766	3.1
157.10159	4.4
161.13197	3.2
163.11142	3.1
165.12733	32.4
169.12210	6.3
175.03944	6.0
179.14236	4.8
189.11273	3.2
207.06529	9.3
241.19374	3.4
249.21997	3.7
277.21619	65.1
278.21948	3.5
295.22672	100.0
296.23062	3.2
369.13040	2.4
369.26691	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	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
65.03928	1.5
69.03430	15.8
77.03917	0.8
81.03393	0.6
81.90621	0.4
85.02908	0.9
89.03925	0.7
91.05480	21.1
97.02885	1.5
103.05470	0.9
105.03408	0.5
109.02867	0.8
118.04152	0.5
119.04942	31.1
120.05256	0.4
126.55232	0.5
127.03914	5.6
132.02078	1.5
135.04424	0.7
144.91876	0.5
145.02873	0.6
147.04408	28.4
148.04742	0.7
149.02362	0.7
157.03943	2.6
160.01561	0.5
164.04715	1.1
167.07056	0.7
169.24594	0.5
175.03906	51.7
176.04288	1.5
179.07018	2.7
192.04173	0.6
200.50374	0.4
207.06526	100.0
208.06937	2.3
219.06595	0.7
225.07591	0.6
263.09201	1.0
291.08676	0.6
326.55023	0.5
351.10843	2.1
369.12015	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	369.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01636	1.1
55.01865	6.9
55.05509	6.6
57.03425	4.4
57.07100	1.4
67.05501	9.3
69.03419	3.5
69.07059	6.6
70.06578	2.8
71.03310	2.8
79.05492	7.1
81.07053	35.2
82.07395	1.2
83.04977	4.2
83.08600	3.8
84.08107	2.6
91.05473	8.9
93.07051	6.6
95.04945	1.4
95.08603	8.7
105.07002	4.9
107.08612	6.1
109.06516	11.0
109.10160	2.5
111.04436	17.0
111.08092	2.3
117.06995	2.3
119.04933	4.7
119.08585	6.2
121.06488	1.5
121.10131	4.8
123.08076	2.0
123.11657	2.5
125.05968	7.2
130.05017	1.1
131.08574	2.2
133.10092	5.6
135.08051	2.8
135.11681	5.2
137.05971	100.0
137.13274	1.7
143.08485	1.5
145.10085	1.9
147.04391	5.7
147.11674	6.0
149.09654	5.3
149.13213	2.2
151.07549	2.1
157.10164	1.6
159.11711	2.0
161.09622	6.7
161.13275	2.0
163.11201	2.7
163.14761	1.4
165.09142	2.4
173.13255	1.4
175.03896	11.8
175.11089	5.6
175.14832	1.7
177.05424	1.2
179.10701	2.0
179.14268	1.1
193.12305	1.4
203.17867	5.6
207.06523	18.5
213.16319	2.4
221.19000	2.6
223.15041	1.2
231.17461	10.2
241.15800	1.6
249.18501	9.9
277.17990	56.1
278.18268	2.2
295.19055	19.0
327.07877	1.3
351.21643	8.6
369.18961	2.2
369.23065	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	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
57.03445	0.4
57.74385	0.3
61.02914	1.2
65.03934	1.1
69.03428	8.5
69.24709	2.9
77.03919	0.4
81.03410	0.5
85.02911	0.5
91.05477	21.0
92.05810	0.6
97.02892	0.7
103.05467	0.6
105.03384	0.3
107.04944	0.4
109.02897	0.6
115.05421	0.5
117.03346	0.3
119.04936	33.5
119.42606	0.3
120.05273	0.5
120.07713	0.3
127.03912	4.4
129.03357	0.7
130.66420	0.3
131.04863	0.4
132.02084	1.2
133.02821	0.4
135.04428	0.4
136.05208	0.5
145.02895	0.6
147.04405	28.3
148.04713	0.6
149.02348	1.3
151.54309	0.3
154.08307	0.3
157.03989	2.9
160.01561	0.4
164.04706	1.1
167.07018	0.8
171.11671	0.3
175.03902	53.6
176.04214	1.3
179.07022	2.3
192.04227	0.7
207.06519	100.0
208.06870	3.0
225.07486	0.8
245.08008	0.4
261.07623	0.4
263.09088	0.3
281.55298	0.3
291.08585	0.5
351.10718	1.8
358.16080	0.3
369.11749	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	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
61.02925	1.3
65.03938	1.0
69.03424	8.1
70.06599	0.6
70.29816	0.5
70.30218	0.9
77.03924	0.6
79.05494	0.4
81.81348	0.4
84.04470	0.3
84.08135	0.3
85.02898	0.6
86.09705	0.9
87.06933	0.3
89.03898	0.5
91.05474	18.7
97.02884	1.0
103.05441	0.6
105.03401	0.5
107.04920	0.4
108.05732	0.4
109.02852	0.5
117.03330	0.3
119.04936	30.0
120.05254	0.8
127.03916	3.4
131.04955	0.4
132.02065	1.4
136.05162	0.8
145.02884	0.6
147.04401	27.7
148.04730	0.4
149.02350	0.9
157.03975	3.0
161.06023	0.4
162.03114	0.4
164.04733	1.0
167.07076	0.8
175.03897	51.4
175.27563	0.3
176.04295	1.1
179.07021	2.3
192.04250	0.7
207.06512	100.0
208.06842	2.2
214.01852	0.4
225.07481	0.7
235.06091	0.4
315.08755	0.8
351.10919	1.1
369.11792	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	369.1176
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
55.05515	3.6
59.39612	0.6
60.92128	0.6
62.86756	0.7
65.03938	1.4
69.03085	1.1
69.03428	16.8
69.45249	6.5
70.64569	0.7
77.03925	1.1
82.06551	1.0
83.04983	0.7
83.08600	1.7
84.30277	0.7
85.02876	1.4
91.05482	24.4
97.02870	1.4
98.09682	1.0
100.11257	3.4
101.11547	1.0
103.05509	0.9
109.02895	1.4
111.04400	0.9
118.04121	0.7
119.04948	35.5
120.05254	0.9
127.03916	8.1
129.03355	0.9
131.04912	0.8
132.02101	1.8
145.02780	1.1
147.03236	1.6
147.04407	30.0
149.02344	2.5
157.03999	3.4
164.04677	0.9
167.07022	1.0
175.03906	55.7
179.07043	3.8
182.15378	0.9
192.04120	1.2
207.06531	100.0
208.06873	1.9
209.16518	0.9
225.07658	0.9
235.06119	0.9
303.62643	0.7
351.10876	2.9
359.71564	2.5
360.21277	4.4
360.71005	1.6
368.72122	7.7
369.11853	1.7
369.21780	7.9
369.72061	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	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02357	0.3
53.72831	0.3
54.00019	0.3
55.01862	0.4
55.35799	0.3
59.01606	0.3
61.02912	1.3
63.58851	0.3
65.03942	0.9
69.03429	7.3
70.06587	0.8
70.66331	0.6
70.66637	0.4
77.03902	0.6
84.08155	0.4
86.09705	0.7
89.03909	0.5
91.05477	20.0
95.43615	0.3
97.02883	1.2
103.05455	0.6
105.03458	0.5
108.97150	0.3
109.02863	0.6
109.45975	0.3
109.61593	0.3
119.04940	32.3
127.03911	2.8
127.15562	0.3
129.03362	0.5
131.04903	0.5
132.02061	1.4
145.02818	0.6
146.03627	0.4
147.04404	28.6
148.04747	0.8
149.02351	0.9
157.03958	2.6
164.04652	0.8
167.07092	0.9
175.03900	52.3
176.04228	1.2
176.16742	0.4
179.07047	2.7
180.44083	0.4
180.45714	0.4
192.04295	0.4
207.06519	100.0
208.06836	2.7
225.07584	0.5
263.09052	0.4
275.09164	0.4
291.08600	0.5
324.34283	0.4
331.91122	0.4
351.10745	0.9
369.11801	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	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
50.60676	0.3
55.01861	0.4
55.05509	0.7
56.05030	0.5
57.03421	0.4
58.68343	0.2
60.04525	0.4
60.05635	0.2
61.02923	0.6
61.08751	0.2
65.03944	0.8
67.02361	0.2
69.03423	13.3
69.07062	0.5
70.06586	4.1
70.69817	0.3
70.82518	0.8
71.05010	0.3
71.06924	0.3
72.08154	2.2
74.06085	0.3
77.03930	0.8
81.03412	0.4
83.04931	0.3
84.04502	1.3
84.08139	3.3
85.02893	1.0
85.08495	0.4
86.09705	2.6
89.03928	0.6
90.23364	0.3
91.05473	20.6
92.05805	0.6
95.04959	0.7
97.02902	1.1
99.04435	0.3
99.22361	0.2
103.05445	0.8
105.03396	0.8
105.07023	0.3
107.04948	0.4
109.02866	0.8
110.07173	1.1
112.08720	0.6
114.62443	0.2
115.08699	0.5
117.03384	0.4
118.04178	0.4
119.04932	30.6
120.05253	0.6
120.08101	1.3
121.02833	0.4
121.06534	0.2
123.04444	0.4
127.03921	6.1
129.03392	0.5
129.10265	1.6
131.04892	0.5
132.02065	1.7
133.02841	0.8
135.04402	0.6
136.05174	0.7
136.06111	0.5
136.07597	0.7
145.02827	0.5
146.03552	0.4
147.04396	26.8
148.04756	0.6
149.02348	1.0
157.03958	2.6
157.06688	0.3
161.05988	0.4
162.03029	0.3
164.04681	1.1
164.07010	0.3
167.07048	0.7
174.03046	0.3
175.03894	49.0
176.04332	1.0
177.05527	0.3
179.03366	0.5
179.07005	2.6
192.04143	1.0
207.06506	100.0
208.06856	3.1
219.06522	0.8
225.07603	1.0
228.18248	0.3
235.06061	0.3
245.08162	0.6
248.16145	0.3
261.07458	0.5
263.09085	0.5
291.08887	0.7
341.26624	0.7
351.10666	1.9
369.11777	2.3
369.26102	0.4
370.12155	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	368.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01868	10.8
56.05046	4.0
57.03430	8.1
59.04991	5.2
60.04537	5.0
61.02913	8.6
61.84649	3.0
68.99764	3.5
69.03096	4.0
69.03432	46.7
70.02953	3.7
70.06583	38.8
70.17113	3.1
71.04980	4.8
71.05421	6.2
71.05769	4.0
72.08157	29.5
73.02933	5.4
74.06072	4.9
81.03425	21.5
83.06105	4.3
84.04491	11.2
84.08147	29.4
85.02904	87.3
85.06539	38.8
86.09710	19.6
87.00822	36.4
88.03973	4.6
91.05487	20.3
97.02886	33.7
99.04456	14.3
102.05519	4.1
103.07579	100.0
105.01866	60.5
109.02852	31.0
109.06557	4.7
110.07160	64.4
119.04948	38.8
120.08083	7.9
127.03891	57.8
129.10242	13.9
130.01338	3.9
136.06128	5.9
136.07532	7.2
145.04977	22.4
147.04382	27.0
149.06021	5.3
152.07028	7.7
156.07652	12.0
159.02873	10.3
164.11833	4.9
175.03882	34.4
178.04927	8.4
182.08208	3.8
184.73640	3.6
206.04393	9.1
207.06531	81.9
209.14061	8.4
213.03775	5.9
229.55872	3.8
231.05017	16.5
237.13486	9.1
251.15054	9.6
255.14438	6.4
304.08112	9.5
368.23227	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01880	4.5
55.05509	12.4
56.96552	1.4
57.03439	5.8
57.07062	2.5
59.59131	0.7
61.22269	0.7
65.01567	0.7
65.03938	1.2
67.05139	1.3
67.05503	22.8
69.03418	2.0
69.07066	15.1
69.26923	7.8
71.04996	1.7
71.08611	1.4
74.43522	0.8
77.03913	0.8
79.05492	20.6
81.03403	1.8
81.07055	29.7
81.07536	1.6
83.04971	5.9
83.08643	3.8
84.08150	1.4
85.06530	1.8
91.05479	22.9
93.07043	28.6
95.04970	6.8
95.08609	18.5
97.06534	4.9
97.10154	3.3
99.08083	1.4
103.05481	0.8
105.06319	1.4
105.07030	26.2
107.04945	7.0
107.08586	17.9
108.08934	0.7
109.06522	8.9
109.10140	7.8
109.15179	0.7
111.08071	1.6
115.05521	0.7
115.77339	0.7
117.07021	8.7
119.08583	15.2
121.06504	10.1
121.10142	10.9
121.61577	0.7
123.08072	5.3
123.11681	2.0
125.09676	1.5
129.07005	2.8
131.08571	18.3
132.90465	0.7
133.06462	3.3
133.10127	17.8
135.08040	5.2
135.11691	5.9
137.05968	0.8
137.09605	3.0
141.07033	1.7
143.08536	3.1
145.06445	2.1
145.10112	13.7
147.08035	3.1
147.11667	12.1
149.09605	7.0
149.13252	3.5
151.11185	5.4
154.84593	0.9
155.08539	2.2
157.10139	3.2
159.08054	2.6
159.11697	7.7
161.09619	3.3
161.13246	3.4
163.11185	6.9
163.14824	0.9
165.12805	1.4
169.10114	2.0
171.11684	2.2
173.09612	3.0
173.13281	5.9
175.03926	1.6
175.11243	2.1
175.14868	1.2
177.12712	2.4
183.11699	2.5
185.13318	0.8
187.11218	1.6
187.14738	2.1
189.05455	0.8
189.12701	0.9
191.14333	3.4
197.13316	2.0
199.06564	0.8
201.12700	2.4
203.14484	0.9
205.15662	0.7
207.13821	2.4
211.14825	0.9
213.16357	0.8
215.14270	1.5
215.17899	1.8
219.13770	3.8
219.17432	1.9
225.18501	0.8
229.19551	2.3
233.19093	1.0
239.17932	2.9
247.20575	2.9
257.19016	13.5
275.20059	100.0
276.20416	4.5
293.21097	13.3
349.17169	1.5
349.23737	32.5
350.24240	1.3
367.17853	1.7
367.24915	19.7
368.25146	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01643	0.7
55.01871	5.5
55.05510	15.2
56.96556	1.2
57.03437	6.1
57.07059	2.7
65.03912	0.7
67.05504	28.2
69.03418	1.8
69.07066	15.6
69.34081	6.4
71.04974	2.8
71.08612	1.0
75.04458	0.9
79.05490	22.5
81.02908	0.6
81.03408	1.6
81.07052	31.5
82.07368	0.9
83.04975	7.6
83.08614	6.9
84.08127	1.1
85.06531	2.5
91.05477	23.9
93.07043	30.6
93.07637	1.6
93.22757	0.7
95.04974	7.8
95.08602	20.5
97.06520	4.8
97.10149	2.3
98.97573	0.7
103.05463	0.8
105.07028	30.3
107.04938	7.5
107.08589	19.8
109.06504	10.0
109.10158	9.9
111.08064	2.3
115.05447	0.8
117.07005	9.9
119.08578	16.6
120.08888	1.2
121.06497	10.8
121.10135	9.8
123.08048	5.5
123.11674	2.2
125.09624	1.9
129.06981	3.1
130.07784	1.2
131.08551	15.2
133.06471	2.7
133.10121	16.8
135.08046	5.7
135.11682	6.0
137.09587	3.2
139.47995	0.8
141.06975	1.5
143.08559	3.8
145.06468	2.2
145.10117	16.2
147.08003	3.6
147.11679	11.5
149.09619	9.7
149.13237	4.4
151.11172	4.4
155.08511	2.1
157.10115	3.7
159.08037	1.7
159.11681	9.3
161.09592	4.5
161.13223	3.0
161.28078	0.7
163.11169	8.8
163.14760	1.2
165.12740	1.7
169.10156	2.1
171.11688	1.7
173.09648	2.3
173.13206	5.4
175.03905	1.5
175.11171	3.2
175.14827	0.9
177.12744	3.2
183.11681	3.1
185.13304	1.6
186.45874	0.8
187.11261	1.3
187.14816	1.8
189.11269	0.9
189.12776	1.2
191.14316	2.4
197.13235	1.7
198.05800	0.7
201.12753	3.9
207.13774	4.2
211.14688	1.2
215.14313	1.0
215.17949	1.6
219.13759	3.1
229.19525	3.3
231.17310	0.9
233.15393	1.0
233.18961	1.3
239.17970	4.2
247.20540	3.8
255.09172	1.4
257.18970	14.6
269.17526	2.4
273.10120	1.0
275.20056	100.0
276.20425	4.7
293.21063	9.9
349.17044	1.3
349.23730	37.5
350.23853	1.8
367.17618	2.2
367.24799	22.1
368.25165	1.7
385.18835	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	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.9
55.01854	3.3
55.05510	25.4
55.40563	3.0
56.62361	2.8
57.07077	16.1
65.03931	4.8
67.05509	47.6
69.03447	7.8
69.07074	27.7
69.87641	19.3
71.04971	9.3
71.08606	3.9
77.03912	3.6
79.05496	39.5
81.07057	62.9
83.04988	7.2
83.08601	11.8
84.87280	3.2
85.06525	6.3
86.61243	3.3
86.87313	3.5
91.05479	59.8
93.07041	99.7
95.04966	46.2
95.08605	69.2
97.06517	16.5
103.05446	5.9
105.07037	97.7
107.08598	70.6
109.06504	16.8
109.10152	49.1
109.70943	3.5
110.38322	3.2
111.08097	5.3
115.05451	6.2
116.06245	4.5
117.07031	18.9
119.08582	100.0
121.06465	8.4
121.10149	56.5
123.08027	5.8
123.11678	17.6
128.06224	10.9
129.07021	20.2
130.07813	8.9
131.08562	67.7
133.06526	5.7
133.10130	61.0
135.08067	18.9
135.11674	26.4
137.09598	4.8
142.07762	23.7
143.08569	48.0
144.09360	17.3
145.06445	4.8
145.10120	83.2
146.07237	9.9
147.08005	14.2
147.11687	24.1
149.09619	18.9
149.13275	4.5
153.06973	6.1
155.08507	17.3
156.09360	11.3
157.10115	64.9
158.10912	6.5
159.08076	8.1
159.11699	48.9
161.09625	47.9
161.13258	9.9
163.11143	5.7
167.08510	9.7
168.09282	4.8
169.10149	24.6
170.10904	7.0
171.07925	3.3
171.11655	30.8
172.12413	4.6
173.09593	7.5
173.13229	33.7
175.11217	6.8
175.14854	15.7
179.08556	10.6
180.09476	3.7
181.10112	13.4
182.10898	6.3
183.11682	26.6
184.12498	5.0
185.13252	13.7
187.11240	3.8
187.14821	16.7
189.12822	4.1
193.10065	6.5
194.11000	8.5
195.11633	18.2
197.13210	22.4
199.14877	17.3
201.12788	5.1
201.16400	10.8
207.11787	4.4
208.12494	4.0
209.13280	29.5
211.14803	10.0
213.12845	4.5
213.16313	5.6
215.14133	4.0
223.14882	9.4
225.16217	4.9
227.14330	24.3
233.13266	4.2
237.16408	4.7
239.17905	10.5
251.18013	4.4
253.19429	6.1
255.17393	8.5
257.19012	6.3
265.19427	5.3
269.19012	4.5
285.22137	4.5
293.18915	6.2
349.25125	8.0
367.26154	15.2
367.33832	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.6
55.01871	34.2
55.05511	75.8
57.03437	35.3
57.48887	3.1
65.03936	6.7
67.05505	100.0
69.03424	9.3
69.07066	57.3
70.06575	4.7
70.77038	8.9
71.04985	13.6
77.67867	3.0
79.05493	88.3
81.03410	11.2
81.07058	70.2
83.04981	54.1
83.08614	58.8
84.08161	5.1
85.02901	15.8
85.06544	9.3
85.12992	2.8
91.05474	52.7
93.07046	75.7
95.04963	86.5
95.08606	49.6
97.06537	16.8
97.10191	16.6
99.04445	27.3
99.08059	3.3
105.07024	52.2
107.04930	16.0
107.08587	69.7
109.06525	20.5
109.10130	29.0
111.04443	64.4
111.08070	19.3
117.07001	18.4
119.08581	39.4
121.06503	11.5
121.10138	51.3
123.08058	14.5
123.11691	6.8
125.06028	5.3
125.09628	25.0
129.06966	5.8
129.10216	3.1
131.08559	27.8
133.06436	5.0
133.10135	28.8
135.08083	12.7
135.11691	21.3
137.06044	3.6
137.09671	5.3
139.11188	6.5
141.07045	4.3
143.08551	4.5
145.10120	27.3
147.08080	7.3
147.11670	22.1
149.09622	61.1
149.13249	3.2
151.11206	3.9
153.09077	6.3
153.12761	10.5
155.08450	5.5
155.46271	3.2
157.10101	6.1
159.11646	17.5
161.09636	3.0
161.13197	4.9
163.11165	45.8
165.12740	3.7
169.10054	4.5
171.11766	3.6
173.09656	5.2
173.13283	4.7
175.11220	4.2
177.12729	5.2
181.12224	11.4
187.11215	10.6
189.11227	13.4
193.12213	8.4
205.12172	10.6
211.13301	9.0
223.13287	87.5
223.15459	4.2
224.13678	5.5
229.19565	5.7
237.14818	3.6
239.18025	9.0
247.20621	4.5
257.19016	13.0
259.13251	3.3
275.20084	86.7
276.20346	5.5
293.21124	29.9
349.23898	5.1
367.24960	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	367.2478
Annotation	Betaenone A
Peak:m/z	Relative Intensity
52.32499	1.0
55.01863	4.4
55.05515	13.8
57.03433	3.8
57.05476	1.1
57.07067	2.8
67.05181	1.7
67.05505	20.3
68.31258	1.0
68.95200	1.0
69.03407	1.8
69.07065	12.2
69.84146	1.3
69.90712	1.0
71.04989	1.8
71.51621	0.9
71.52012	1.4
79.05489	17.3
79.11220	1.5
81.07054	24.7
83.01604	1.1
83.04959	5.4
83.08609	4.6
85.06583	1.3
91.05473	20.0
93.07043	25.6
95.04962	7.6
95.08601	15.6
97.06521	4.6
97.10152	3.5
105.07027	22.9
106.58478	1.2
107.04924	8.4
107.08586	15.9
109.06525	11.2
109.10125	5.8
111.08041	1.5
117.07015	8.1
119.08558	13.7
120.32113	1.0
121.06492	11.0
121.10139	7.6
123.08055	5.7
123.11709	1.3
125.09612	1.4
129.07010	2.6
131.08562	16.7
133.06512	3.7
133.10132	15.8
135.08055	5.6
135.11703	5.1
137.09616	2.5
141.06969	1.3
143.08543	2.3
145.06442	3.3
145.10124	13.7
147.07985	3.5
147.11696	11.6
148.12041	1.2
149.09616	6.9
149.13312	3.0
151.11183	3.6
155.08533	1.8
156.09375	1.1
157.10112	2.4
159.08029	2.1
159.11673	9.1
161.09616	2.5
161.13232	2.5
163.11172	5.2
169.07874	1.6
169.10049	1.4
171.11723	3.2
173.09639	3.0
173.13231	4.7
175.03899	1.9
175.11183	3.1
177.12802	2.0
183.11739	2.5
187.11198	1.5
191.14340	2.3
199.14851	1.7
201.12672	1.7
207.13812	2.3
215.18094	1.7
219.13789	1.9
229.19531	2.4
231.17667	1.2
239.17867	2.5
247.20572	3.6
257.18918	12.5
258.19315	1.5
262.16537	1.1
275.20053	100.0
276.20462	6.2
293.18027	1.8
293.21057	8.3
345.09351	1.1
349.23767	31.3
350.24142	1.7
367.24884	23.3
368.25043	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01855	6.7
55.05512	19.3
57.03434	13.1
57.07070	1.4
65.03925	2.3
67.05502	43.5
69.03415	2.3
69.07067	31.5
70.06590	3.2
70.70225	2.4
70.70576	4.1
71.04978	4.4
71.08643	1.5
74.61750	1.5
79.05490	32.5
80.27242	1.4
81.03412	2.7
81.07053	100.0
82.07362	2.1
83.04967	5.3
83.08616	11.8
84.04501	2.5
84.08150	1.7
85.06528	3.2
86.09660	2.6
91.05479	26.1
93.07037	24.6
95.04957	9.4
95.08604	28.6
97.06544	9.2
97.10175	2.5
98.97562	1.6
99.08083	4.8
105.06394	2.4
105.07034	26.3
107.04947	5.3
107.08573	14.4
109.06518	13.9
109.10177	9.1
110.07174	2.2
110.43376	1.6
111.04411	2.0
111.08064	4.8
117.07008	6.1
119.04974	2.3
119.08576	19.7
121.06509	3.2
121.10128	16.2
123.08041	6.1
123.11679	9.0
127.07616	1.7
129.07016	3.0
129.10211	1.5
131.08572	10.9
133.06511	2.2
133.10118	13.8
135.08058	3.4
135.11668	6.6
137.09619	4.2
143.08537	2.4
145.10085	7.5
147.11694	19.0
149.09602	6.8
149.13246	8.4
151.11139	2.8
157.10091	4.9
159.11653	7.9
161.13240	2.3
163.11165	4.4
163.14851	1.6
165.12735	8.9
171.11737	1.8
173.13326	1.9
175.03841	3.6
175.11096	3.7
175.14839	2.0
177.12709	4.0
195.13872	2.3
213.96098	1.4
229.19540	2.4
236.12891	1.6
239.17918	2.2
247.20567	3.5
257.18954	4.5
275.20081	23.5
277.21237	1.6
293.21039	5.7
348.74625	1.4
349.23737	3.3
361.85751	1.6
367.24872	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	367.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24790	1.7
53.03925	3.6
55.01868	11.3
55.05511	25.3
56.96303	3.0
56.96558	34.6
57.03429	11.0
59.04983	2.5
67.05189	2.4
67.05501	32.4
69.03415	4.1
69.07074	19.6
70.06570	4.5
71.04967	6.3
71.58083	4.0
71.72236	2.2
71.95242	4.3
72.96032	2.4
73.14355	1.9
79.05076	2.4
79.05489	30.9
81.03387	3.7
81.06604	2.6
81.07050	40.4
83.04994	15.6
83.08614	17.9
84.04472	2.2
84.08118	6.3
85.02880	4.5
85.05782	1.8
86.09696	3.2
91.05487	17.3
93.07045	33.5
95.04956	26.8
95.08604	23.7
97.02892	2.7
97.06477	5.8
97.10135	6.5
98.09693	2.2
99.04458	9.4
103.05423	2.0
105.06398	2.1
105.07034	17.4
107.04927	6.3
107.08583	28.9
109.06500	7.8
109.10158	10.9
110.97523	2.4
111.04436	20.1
111.08052	5.6
117.06982	8.2
119.08583	12.6
120.08080	5.4
121.06453	7.0
121.10146	18.6
123.04411	2.2
123.08038	5.0
125.09599	6.4
128.98592	5.4
129.06958	2.4
129.10208	3.4
131.08559	11.7
133.10159	10.6
135.08029	6.9
135.11681	10.8
137.02763	2.1
137.05977	2.4
137.09586	2.3
139.07491	2.4
139.11105	2.5
143.08496	3.1
145.10100	12.8
146.99608	5.1
147.07996	3.0
147.11642	8.3
149.09666	15.6
151.11148	2.2
153.12709	3.7
157.10121	3.4
159.11652	6.0
161.09590	3.1
161.13217	3.1
163.11191	15.8
165.09111	2.3
167.10556	2.4
169.10051	2.8
171.03270	2.4
171.10274	2.6
175.03937	4.0
177.09209	2.1
177.12729	2.5
181.12213	3.5
183.11662	2.1
185.04752	2.9
187.02667	2.0
187.11089	2.8
189.04175	3.6
189.11214	6.0
199.06409	6.4
203.05768	2.6
205.12233	5.7
213.07904	8.5
217.07472	8.3
218.38664	2.1
223.13272	26.7
225.04300	2.6
225.07985	3.1
229.07417	9.3
229.19646	2.8
231.08972	12.3
239.09492	5.8
241.11046	5.1
243.09027	5.2
247.08516	13.1
251.09477	5.1
255.09088	5.1
257.10526	4.1
257.19022	3.5
259.12131	6.7
269.10583	30.3
273.10056	4.6
275.20047	29.9
280.09799	2.7
287.11584	16.8
292.12119	4.7
293.21231	9.7
297.10013	3.3
315.11148	2.6
331.15765	7.2
349.16830	19.9
349.23441	2.8
367.17831	100.0
367.24585	13.0
368.18274	4.6
372.18442	2.6
385.18967	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	366.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05508	0.9
56.05011	1.2
57.03446	0.9
60.04524	26.3
62.76575	0.7
67.05511	1.0
69.03421	1.0
69.07037	0.8
70.02954	1.3
70.06590	8.8
71.04977	0.6
72.04521	0.9
72.08161	4.5
76.04096	0.7
81.03418	0.9
84.04486	2.3
84.08134	5.3
86.09702	79.7
87.05588	16.9
87.10028	1.2
88.03963	0.8
88.05856	0.8
91.05469	3.3
93.07031	1.6
95.08620	0.8
99.04456	0.8
103.05437	4.3
104.05342	0.7
105.03434	0.6
105.73080	0.6
107.04932	0.9
110.07167	2.9
110.09682	0.8
112.11291	0.8
117.06996	0.8
119.04955	1.1
120.08103	100.0
121.06529	1.7
121.08428	2.3
128.10698	8.7
129.10260	3.6
131.04956	0.8
132.10161	6.1
133.02866	2.7
134.09634	1.3
135.06529	0.7
136.07562	2.4
137.05962	2.2
143.11784	1.2
144.08083	2.7
145.07555	0.9
159.09206	2.4
162.09132	7.2
163.03903	1.1
166.08643	11.2
173.12856	81.5
174.13174	1.5
190.09775	2.7
191.08131	6.3
201.12335	19.0
207.11287	27.7
207.13248	1.6
219.13448	7.0
235.10783	10.6
279.17050	1.8
289.11972	1.0
304.18475	0.8
306.14572	2.2
324.15469	1.2
337.40204	0.8
366.22351	1.0
367.15756	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	366.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01865	3.2
55.05508	27.0
57.07071	6.3
60.08149	3.9
65.03941	3.1
67.05502	69.7
68.05807	1.6
69.07066	37.6
69.25156	15.0
71.04975	4.0
73.02888	2.5
78.90571	1.3
79.05495	10.6
81.07050	64.9
82.07380	2.4
82.94518	1.2
83.04981	1.6
83.08606	11.6
85.06514	4.7
86.09701	1.6
91.05460	9.0
93.07043	12.7
95.04961	3.1
95.07983	2.4
95.08602	46.6
95.35963	1.5
96.08934	1.9
97.06512	3.5
97.10153	3.3
99.04443	4.0
100.46961	1.4
105.07014	4.7
107.08591	8.5
109.06531	1.8
109.10143	15.0
111.08096	1.6
119.08573	4.1
121.10123	4.6
123.08014	2.4
123.11707	6.6
133.10112	3.0
135.11652	2.5
137.13281	1.7
145.10092	2.9
159.11670	1.9
173.13148	1.6
175.03813	2.2
180.09019	1.3
192.82690	1.4
264.20325	2.3
266.16614	1.3
307.26306	96.8
308.26605	3.2
310.46667	1.3
348.26172	7.6
366.27283	16.2
366.33640	100.0
367.33899	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	366.1771
Annotation	Isopentenyladenine-9-glucoside
Peak:m/z	Relative Intensity
55.01868	0.6
55.05498	0.7
56.05024	0.7
56.37628	0.3
60.04514	1.4
61.02911	0.9
69.03432	2.3
69.07063	5.8
70.06264	0.4
70.06594	5.9
71.04985	0.4
71.51711	0.4
72.08157	3.1
74.06065	0.5
81.03410	0.9
81.07059	0.4
84.04504	1.9
84.08144	3.6
85.02904	3.2
86.09701	6.9
91.03997	0.3
91.05482	1.9
97.02892	1.3
102.05529	0.4
104.67973	0.3
109.02869	0.4
110.07165	2.0
112.08724	0.5
119.03499	0.5
119.04926	1.2
120.08102	2.9
127.03911	0.4
129.10260	2.0
130.06485	0.4
132.10193	0.4
136.06177	100.0
136.07501	5.5
137.04599	0.8
137.06541	0.7
148.06165	4.0
157.07625	0.3
157.09679	0.3
159.09271	0.3
162.70235	0.3
163.03938	0.4
204.12436	69.9
205.12759	1.5
207.07730	0.5
207.11255	1.9
235.10669	0.4
249.16023	0.7
309.45248	0.4
319.51035	0.3
320.19186	0.3
348.20145	0.4
348.27823	0.5
366.17703	37.6
367.17770	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	366.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57610	0.8
55.01852	1.6
55.05516	9.2
56.05037	11.8
56.22568	0.9
57.03436	1.8
57.05828	1.0
58.06602	4.9
60.04528	12.6
61.02918	2.4
67.05482	2.8
68.99783	2.8
69.03414	2.4
69.07063	3.9
69.50748	7.2
70.06590	20.7
71.06926	0.9
72.08155	80.7
73.08501	1.3
74.05671	1.7
74.06080	33.4
74.68998	1.0
79.05482	2.2
81.03406	1.9
81.07047	2.7
83.04983	1.0
83.06078	1.5
84.04500	12.4
84.08147	14.6
85.02899	2.6
86.06057	1.1
86.09705	34.9
87.00808	2.0
88.03970	1.7
91.05481	14.2
93.07007	2.4
94.06581	1.2
95.04951	1.1
95.08616	1.8
96.08109	1.4
96.83820	0.9
97.00902	1.0
97.02898	1.9
98.20833	1.8
101.07157	12.1
102.05525	3.1
103.05453	3.9
104.05344	1.0
105.07026	1.2
107.04963	3.1
107.08581	1.2
108.08040	1.1
110.03667	1.8
110.07175	8.4
110.09663	2.8
111.09203	2.2
112.07603	1.8
112.08746	1.3
112.11250	1.5
115.08678	1.0
116.07082	2.4
118.06571	1.0
119.04959	10.7
120.08105	49.5
121.06512	1.9
121.08451	1.1
123.04425	2.4
125.05972	3.5
128.09811	1.5
128.10712	18.6
129.01839	3.2
129.10229	12.5
130.06531	3.6
131.04910	2.7
132.10228	4.6
136.06183	29.8
136.07567	100.0
137.05931	1.3
137.07953	2.0
138.05481	1.6
138.09119	3.5
139.03931	1.6
140.07022	1.2
144.08057	2.9
145.02908	1.2
146.07285	1.4
147.04442	5.0
147.09126	1.2
148.06223	1.3
149.06013	1.3
150.06680	1.4
152.07053	2.2
153.05466	6.6
155.11771	3.3
156.07652	1.2
161.05913	1.2
162.05472	1.0
163.07491	1.4
166.08638	15.2
167.07042	1.2
169.12259	1.3
172.07573	2.2
173.06050	1.2
173.12863	67.0
174.06812	1.2
175.03824	1.7
176.10757	1.0
177.05452	2.7
177.08989	1.0
178.06334	1.3
183.11348	1.4
189.09070	2.1
190.08609	3.0
191.03438	1.8
191.07027	15.1
193.08659	2.7
201.12334	36.0
203.11893	1.3
203.13776	2.3
204.06363	1.0
204.12453	19.4
205.08578	1.4
206.05740	8.9
207.11302	36.6
216.89716	1.1
217.08597	7.6
219.06461	2.0
221.08165	4.8
221.12849	5.3
233.16425	4.4
234.09846	6.6
235.10826	12.9
245.08006	8.1
249.12437	2.6
249.15993	1.5
263.09164	18.0
267.13477	11.4
281.14841	1.3
295.16675	1.5
330.09863	0.9
330.26245	1.6
348.19040	1.1
348.27374	2.4
366.14667	1.0
366.17822	10.6
366.28500	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01469	0.5
55.01873	8.0
55.05508	3.3
57.03432	6.0
60.04506	0.8
61.02923	6.2
68.99786	2.4
69.03426	34.0
70.06586	3.6
71.01354	0.7
71.04993	4.6
72.08146	1.4
73.02919	5.2
79.05470	1.2
79.88959	0.5
80.04996	0.5
81.03416	22.2
81.07054	1.1
82.85632	0.4
83.01360	1.1
83.04965	0.9
83.08620	1.9
84.04505	0.7
84.08143	1.6
85.02901	100.0
86.03230	1.2
86.09708	2.0
87.00826	39.2
87.04469	0.8
88.01120	0.5
90.83107	0.5
91.03950	2.1
91.05475	1.0
93.07030	0.9
95.04942	0.6
95.08633	1.1
97.02888	30.0
99.03851	0.9
99.04453	11.6
99.08117	0.6
101.02373	1.1
103.03930	0.5
105.01862	68.7
107.08577	0.6
108.04471	2.8
109.02874	23.2
110.07156	1.0
111.04361	0.6
111.08091	2.2
113.09689	0.5
115.03933	1.9
117.01853	1.9
117.05510	0.5
117.07071	0.6
120.08127	1.3
121.06488	0.8
123.02916	0.8
123.08071	0.9
125.02381	0.5
126.05518	1.7
127.03912	69.0
128.04234	0.6
128.16255	0.5
129.01817	3.7
135.07979	0.5
136.07564	0.8
137.05960	1.4
139.07544	1.5
141.09094	1.2
145.04956	34.6
147.02904	2.9
151.07539	1.4
159.02885	14.2
165.09126	0.8
168.06668	0.5
171.02876	0.8
177.03957	1.0
179.10674	1.1
189.03952	3.7
191.10664	0.9
209.11708	4.0
213.04012	2.7
227.12837	0.6
230.06659	1.1
231.04977	18.6
248.07703	1.3
249.06000	5.2
269.13907	1.0
295.11676	3.5
313.12756	1.4
366.09744	0.6
367.11658	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	365.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
55.34007	0.3
57.07069	2.6
66.32012	0.3
67.05503	2.7
68.05839	0.4
69.03434	0.4
69.07064	1.7
70.20874	1.1
71.08640	0.5
74.67039	0.3
79.05481	2.1
81.07050	3.0
83.04979	0.3
83.08626	0.5
85.06528	0.6
91.05481	1.3
93.07047	2.6
94.07409	0.4
95.04945	0.6
95.08591	2.1
96.08942	0.4
97.06564	0.4
98.98444	0.3
105.07024	0.6
107.08561	1.5
108.08929	0.4
109.06514	1.8
109.10129	1.0
111.08043	0.4
118.98175	0.3
119.08556	0.9
121.10143	1.0
123.08060	4.0
123.11672	0.5
124.08862	1.7
131.08572	0.5
133.10123	0.9
135.08020	0.9
135.11752	0.5
137.05991	0.7
137.09669	0.4
139.07555	0.4
147.11671	0.6
151.07533	4.5
152.08310	7.9
155.01064	0.5
157.10133	0.3
165.09108	9.4
165.12756	0.6
166.09863	0.6
177.12709	0.3
179.10658	2.1
179.14284	0.5
181.12219	0.5
194.13040	3.7
195.13805	0.4
207.13815	1.7
235.16869	0.5
249.18471	1.2
258.25732	0.3
263.20074	1.8
305.24704	0.5
306.25012	3.5
309.97546	0.3
319.26297	1.0
347.25790	17.0
348.26254	1.3
365.26855	100.0
365.32025	3.8
366.27231	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
53.29814	1.1
55.01873	8.0
55.05509	31.5
56.96562	6.3
57.03196	1.4
57.03434	14.5
57.07070	2.2
58.23797	0.9
60.17169	1.2
65.03925	3.0
67.05503	36.1
69.03425	15.9
69.07065	49.2
70.06598	1.4
70.95743	3.0
71.04986	1.9
79.05490	36.4
81.03417	7.4
81.07055	35.6
83.04980	7.4
83.08610	11.8
84.08141	1.8
85.02916	1.4
85.06546	2.4
86.06070	1.5
86.09689	1.7
91.05470	22.6
93.07042	23.3
95.01282	1.3
95.04973	10.5
95.08609	19.2
97.02887	19.3
97.06523	4.8
97.10159	17.5
105.07023	15.9
107.04960	12.8
107.08594	18.1
109.06512	11.0
109.10132	12.8
111.04433	2.5
111.08087	2.4
117.07014	9.3
119.08576	17.7
121.06496	3.8
121.10133	7.9
123.08076	6.5
123.11670	2.4
125.09627	12.2
128.06207	1.6
129.07002	5.6
131.08560	9.3
133.06450	4.3
133.10109	8.3
135.08049	5.3
135.11690	3.5
137.09608	4.5
143.08534	3.9
145.10114	7.0
147.08046	5.8
147.11693	4.8
149.09616	3.6
149.13254	2.7
151.11125	3.8
153.09103	2.0
157.10117	3.5
159.08093	1.5
159.11667	5.2
161.09622	4.6
161.13187	1.8
163.11128	1.8
165.09135	2.4
169.10126	2.0
171.11644	3.1
173.11676	1.3
173.13187	1.7
175.11192	3.1
175.34943	1.4
177.12735	2.2
187.11119	1.5
189.11177	7.0
189.12732	2.1
193.12370	1.7
195.13783	1.4
199.11369	1.5
205.12248	3.7
217.07520	2.7
223.13261	31.0
234.72263	1.5
241.07727	1.4
245.19083	2.1
249.14792	1.9
255.08963	2.9
255.17444	1.9
259.08612	2.3
263.20016	2.4
269.10565	7.2
273.18478	20.4
284.13495	1.3
287.11691	4.8
287.81119	1.3
291.19534	100.0
292.19818	2.4
336.31088	1.4
347.15283	3.7
347.22147	1.7
365.16516	5.5
365.23215	43.2
366.23322	2.2
383.17465	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	366.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.3
53.25228	1.9
55.01856	6.3
55.05512	27.0
55.85783	1.9
57.03416	6.8
61.02917	6.0
67.05508	1.9
69.03426	40.4
69.07046	2.1
70.06575	5.1
70.86133	3.0
70.86480	3.9
71.04972	5.3
73.02902	5.3
79.05511	2.0
81.03419	28.8
81.07050	1.9
82.80216	1.7
83.08617	17.1
84.08127	2.8
85.02903	100.0
86.09692	3.0
87.00328	2.7
87.00831	45.8
95.05003	1.9
97.02312	2.7
97.02892	37.3
99.04447	12.4
105.01864	81.4
108.04469	2.8
109.02885	26.0
117.01861	2.6
118.78179	1.8
127.03911	78.2
129.01859	3.4
137.05933	4.2
145.04965	46.8
145.06128	1.6
148.53606	1.8
150.03792	2.2
159.02866	15.6
162.03760	3.1
164.07018	2.8
178.03229	43.2
206.02679	19.0
207.05878	2.4
208.04262	2.1
213.03796	2.4
231.04991	17.8
249.06113	6.8
292.14822	3.6
303.11533	4.5
320.14359	8.6
349.12381	9.2
366.14697	8.4
366.22147	8.6
366.72073	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	365.2684
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
51.76418	0.2
53.03935	0.2
54.96829	0.2
55.05500	0.8
57.07079	1.9
57.24501	0.2
61.05538	0.2
67.05499	1.3
68.05851	0.2
69.07076	0.9
69.77261	0.5
69.77675	0.8
75.16936	0.2
79.05480	0.7
79.96173	0.2
81.07044	1.7
83.04950	0.4
83.08625	0.3
84.35341	0.2
85.06538	1.1
91.05474	0.8
93.07047	1.0
95.04933	0.4
95.08597	1.4
97.06557	0.2
105.07027	0.9
106.04973	0.2
107.08616	1.1
109.06506	1.5
109.10139	0.4
110.07256	0.2
119.08564	0.8
121.10062	0.2
123.08068	3.6
124.08906	1.4
125.05990	0.3
131.08569	0.3
133.06480	0.2
133.10132	0.5
135.08034	0.8
137.05988	0.7
137.09566	0.4
139.07465	0.4
143.08559	0.3
145.10075	0.5
147.11728	0.4
151.07541	3.7
151.11145	0.3
152.08318	6.2
152.09555	0.3
157.10185	0.4
165.09109	8.9
165.12770	0.4
166.09790	0.6
177.09071	0.2
177.12758	0.4
179.10649	2.2
181.12201	0.3
183.11665	0.2
185.13208	0.3
193.12135	0.2
194.13034	3.5
195.11804	0.2
195.13684	0.5
203.05188	0.2
207.13765	1.7
235.14778	0.3
235.16980	0.6
236.83583	0.2
249.18431	0.9
263.20050	1.9
306.25049	0.8
318.58453	0.2
319.26279	1.2
347.21420	0.4
347.25827	16.4
348.26196	1.1
365.26855	100.0
366.27209	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	365.2682
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01851	0.4
55.05506	2.3
57.07072	4.9
57.99845	0.4
67.05497	3.0
69.03419	0.6
69.07061	3.9
69.92155	1.1
69.92549	0.8
71.05003	0.4
71.08603	0.7
79.05492	1.9
81.07057	4.3
83.04961	0.5
83.08624	0.8
85.06538	3.0
91.05472	1.5
93.07039	2.4
95.04925	0.5
95.08614	2.9
97.06513	0.8
97.10156	0.4
98.20802	0.5
99.08067	0.5
100.73705	0.4
105.06995	1.2
107.08588	3.1
109.06520	2.8
109.10158	1.1
111.04423	1.7
119.08575	1.3
121.10119	0.8
123.08064	5.9
124.08826	0.9
125.05962	1.2
131.08519	0.5
133.10141	1.0
135.08037	2.2
135.11684	1.1
137.05962	1.4
139.07489	0.5
145.10100	0.8
147.11691	0.8
149.09622	0.7
151.07545	4.1
152.08328	3.9
160.30038	0.4
161.13281	0.5
163.07664	0.5
163.11172	0.6
164.08340	0.6
165.09102	14.6
165.12744	0.8
166.09883	0.9
175.11145	1.0
177.09047	0.7
177.12791	0.6
179.10646	2.6
179.14339	0.7
191.14325	0.5
193.12192	1.5
195.13795	0.6
208.14540	2.5
219.13853	0.8
221.15338	3.0
235.16957	0.7
242.76479	0.4
249.18475	1.0
260.09171	0.4
263.20047	3.5
305.24722	4.7
306.25073	1.7
319.26315	4.9
325.38898	0.4
347.25784	48.5
348.26208	2.7
365.26840	100.0
366.27246	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	14.7
55.05512	21.3
56.96555	5.4
57.03436	66.2
57.07069	4.0
59.50890	2.6
65.03944	6.6
67.05503	62.7
69.03425	8.3
69.07066	47.8
70.06602	7.4
71.04990	5.9
71.55915	5.8
79.05488	40.0
81.03420	9.1
81.07056	58.3
83.04971	8.5
83.08627	10.4
84.08127	8.5
85.02940	3.3
85.06540	40.5
91.05473	40.6
93.07045	33.2
95.04961	49.5
95.08607	29.8
97.02892	5.6
97.06535	12.5
97.10152	11.3
99.04433	3.4
105.07046	27.6
107.04932	14.5
107.08607	28.3
109.06519	52.1
109.07259	3.3
109.10149	12.6
111.08037	5.1
113.06010	77.0
117.06999	9.9
119.08567	22.7
121.06502	6.9
121.10145	13.1
123.08059	7.9
123.11694	2.9
125.09627	6.3
127.07572	26.3
129.07019	9.2
131.08565	18.9
133.06459	5.0
133.10132	12.3
135.08051	37.0
135.11702	9.1
137.09639	7.7
143.08481	7.6
145.10133	16.0
147.08051	8.1
147.11693	9.7
149.09624	7.5
149.13316	4.1
157.10162	9.0
159.08179	3.0
159.11711	9.7
161.09615	7.8
163.11197	3.4
165.12784	4.2
171.11658	5.1
173.13306	6.6
175.11169	6.4
177.12825	4.2
185.13222	3.1
189.11267	4.4
193.12234	3.3
195.13739	3.0
199.14867	4.3
201.12767	3.7
217.15903	17.0
223.13254	14.2
239.99458	2.9
269.10458	3.7
273.18500	36.7
291.19534	100.0
292.19824	5.6
365.23145	57.1
365.31470	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58681	3.4
53.03937	15.0
55.01870	25.5
55.05506	36.1
57.03436	23.9
61.02917	4.1
65.03951	5.2
67.05506	85.6
69.03423	8.3
69.07069	22.7
70.06588	9.4
71.05003	10.5
71.51504	3.6
71.51962	5.1
79.05492	69.2
81.03419	19.1
81.06593	7.9
81.07055	100.0
83.01340	4.9
83.04983	19.6
83.08619	16.9
84.08134	4.8
85.02899	5.1
85.06535	4.0
91.05480	91.8
91.58693	3.7
93.07040	73.7
95.04970	24.7
95.08607	36.3
97.02935	3.7
97.06525	14.1
105.07027	67.9
107.04955	19.0
107.08585	53.3
109.06526	16.7
109.10146	44.9
111.04435	7.6
111.08073	9.0
113.06020	4.2
117.07028	19.9
119.08586	27.6
121.06487	15.8
121.10123	16.7
123.08042	7.4
123.11656	10.6
129.07021	6.6
131.08583	21.1
133.06483	17.6
133.10129	82.5
133.26434	3.5
134.10437	3.5
135.08046	25.2
135.11699	10.9
137.06013	6.0
137.09662	4.9
143.08560	10.5
145.10150	17.2
147.08049	11.6
147.11665	9.7
149.09598	21.3
149.13231	4.9
151.11185	47.6
153.12688	4.9
159.08047	7.1
159.11716	6.9
161.09601	17.2
161.13251	6.7
163.11151	5.3
169.12216	7.4
175.11154	5.3
177.09109	13.2
179.10652	3.8
185.13339	5.4
189.12817	6.8
203.05258	4.2
227.17926	5.0
245.19011	14.2
253.14291	31.4
263.20102	12.3
269.10626	4.8
273.18512	35.2
285.09973	7.5
291.19589	33.6
301.29248	5.1
302.29874	5.3
303.29895	10.4
347.22202	7.5
365.23257	48.2
365.33438	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	364.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.05507	24.6
57.07070	2.1
60.08151	3.7
61.03096	0.8
62.91124	0.8
65.03917	2.9
67.05501	53.1
69.07063	19.5
69.29442	5.0
69.29868	3.3
71.04974	1.8
71.07332	0.9
73.02908	1.4
79.05487	30.8
81.07053	42.9
83.04985	1.1
83.08604	8.0
86.09702	1.3
91.05470	13.3
93.07037	35.9
95.04959	2.6
95.08602	31.2
97.06526	1.4
97.10144	2.4
99.04446	1.3
105.04510	0.9
105.07023	8.3
107.08590	18.1
109.06512	1.8
109.10149	9.2
119.08591	6.3
121.10143	13.3
123.08065	1.7
123.11668	2.5
131.08548	2.0
133.10141	3.3
135.11688	5.8
147.11690	1.3
149.13264	3.6
161.13245	1.3
163.14816	2.7
225.58990	0.8
305.24731	86.6
306.25098	2.8
364.32074	100.0
365.32428	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	364.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31531	0.7
53.03937	2.9
55.01863	1.4
55.05511	27.7
55.84180	0.7
56.08576	0.7
57.07056	2.2
60.08151	3.3
65.03931	3.9
67.05502	64.8
69.03416	0.8
69.07066	24.9
71.04980	2.9
73.02905	2.9
73.06538	0.8
75.60950	0.6
78.73759	0.6
79.05492	40.3
80.06310	0.8
81.07054	49.5
83.04964	1.7
83.08241	0.7
83.08625	9.3
85.06528	1.2
86.09702	2.2
88.57367	0.8
91.05479	16.8
93.07039	46.1
95.04965	3.9
95.08604	37.5
97.06528	1.9
97.10171	3.1
99.04473	3.1
105.04515	1.3
105.06400	1.1
105.07036	8.8
107.08588	21.9
109.06491	1.7
109.10152	13.0
117.07000	1.8
119.08571	5.8
121.10146	14.0
123.08076	1.2
123.11742	3.5
131.08560	2.4
133.10107	3.8
135.11670	6.7
137.09590	1.4
145.10081	1.7
147.11665	2.3
149.13249	4.8
159.31187	0.9
161.13261	1.4
163.14867	1.2
173.13329	0.9
185.33864	0.7
209.47223	0.8
229.49332	0.9
305.24725	83.4
306.25067	2.8
310.93906	0.9
323.23138	0.7
364.32071	100.0
365.32495	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	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05510	2.6
56.05021	5.7
60.04522	2.3
61.01151	1.9
64.24608	1.8
69.07069	2.0
69.46739	14.0
70.02935	2.2
70.06593	35.9
72.08146	13.9
74.06064	3.4
83.06101	3.1
84.04495	14.2
84.08144	28.1
85.02864	1.9
86.09709	21.4
91.05449	5.0
97.02872	2.0
100.87680	1.7
101.07159	3.1
103.05453	1.9
104.05328	2.5
107.04966	2.4
110.07133	3.8
112.08700	2.2
116.07024	2.2
117.36176	1.8
119.04939	2.0
120.08125	21.8
127.08619	2.3
128.03448	2.8
129.10284	12.3
130.04974	2.3
135.04402	3.5
136.06192	4.2
136.07539	2.8
137.05965	7.6
137.06935	2.4
146.06017	19.6
147.04440	1.7
147.11214	2.0
151.88651	1.5
155.08194	4.0
158.09254	1.9
163.03944	8.4
166.08633	3.8
167.07047	2.1
170.13643	2.4
174.05521	2.8
185.04218	56.8
187.10721	2.0
203.03180	13.8
218.14018	1.7
231.05246	2.2
261.08801	6.1
365.08438	100.0
366.08603	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57658	0.6
69.57980	3.2
72.20169	0.4
78.95643	0.5
83.19815	0.5
91.76349	0.5
91.90696	0.4
94.93016	1.7
112.89601	1.9
116.55682	0.4
125.86322	0.5
185.04210	21.2
186.91714	2.2
196.87807	0.6
202.89076	2.5
203.05258	47.5
204.05731	0.6
215.01808	0.6
232.92325	1.4
242.88385	1.5
244.07957	0.5
263.92755	1.3
286.87399	1.3
328.88379	1.7
352.46924	0.5
365.10568	100.0
365.39297	0.6
366.11096	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	365.23
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
54.38036	0.6
55.01856	2.0
55.05510	3.0
57.03445	3.3
58.56525	0.6
67.05497	6.1
69.03429	0.9
69.07056	2.9
70.06579	2.1
70.86605	1.5
70.86950	0.8
79.05488	5.1
79.16278	0.6
80.51156	0.6
81.03371	0.8
81.07056	8.8
83.04971	2.1
83.08633	1.4
84.04480	0.9
84.08130	1.8
85.06542	1.3
86.09703	1.1
91.05481	6.2
93.07039	5.2
95.04966	2.0
95.08605	2.6
97.02879	0.8
97.06532	1.4
97.10210	0.8
105.07026	4.8
107.04964	1.2
107.08590	4.1
109.06533	2.4
109.10129	3.0
111.04462	1.2
111.08097	1.0
117.07024	1.5
119.04948	0.6
119.08555	2.5
120.19970	0.6
121.06498	1.5
121.10149	2.1
129.07040	0.9
131.08560	2.3
133.06497	1.3
133.10109	3.9
135.08055	2.0
137.78772	0.6
145.10114	1.5
147.08025	0.8
147.11534	0.9
149.09624	1.4
149.13379	0.6
151.11211	2.7
157.10173	1.1
158.68056	0.7
159.11650	1.3
163.11220	1.5
167.61040	0.6
171.11566	1.1
175.11137	0.8
195.09886	1.0
199.10997	0.7
201.09734	0.8
207.99962	0.7
217.72679	0.7
231.10759	2.2
245.19266	0.7
253.14503	1.2
263.19962	0.7
267.14420	2.2
273.18372	3.2
275.30112	0.7
285.15497	1.7
291.19547	3.5
295.15210	0.8
333.19110	2.1
365.22983	100.0
366.23434	3.4
383.22763	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
54.22464	0.8
55.01863	8.4
55.05511	29.1
55.82683	0.8
56.96561	1.0
57.03197	1.1
57.03434	11.8
57.07087	1.1
59.04989	1.2
60.63684	0.8
65.03909	2.0
65.28603	0.8
67.05502	32.0
69.03429	12.5
69.07066	42.6
70.02290	5.5
70.06589	1.2
71.04976	2.6
71.65881	0.9
79.05492	26.5
81.03426	5.9
81.06592	1.5
81.07053	23.3
83.04961	3.9
83.08227	0.9
83.08623	9.7
85.06542	1.1
91.05472	18.5
93.06483	1.5
93.07034	18.4
94.04175	1.4
95.04968	7.7
95.08609	12.5
97.02888	16.2
97.06503	2.6
97.10165	16.5
105.07034	10.9
107.04964	6.8
107.08597	13.9
109.06499	3.3
109.10160	10.8
111.04437	1.3
111.08088	3.2
115.05460	1.2
117.07017	7.4
119.08578	11.1
121.06478	3.0
121.10123	5.9
123.08060	4.1
123.11771	1.2
125.09623	13.6
129.06995	3.5
131.08557	7.9
133.06448	2.5
133.10129	5.3
134.07271	1.1
135.08067	4.6
135.11702	3.3
137.09608	3.1
143.08524	1.7
143.10640	1.0
145.10130	6.0
147.07991	4.6
147.11679	2.5
149.09598	2.1
149.13275	2.4
153.09055	2.0
157.10059	1.8
159.08043	1.6
159.11646	2.5
161.09583	4.6
161.74452	0.9
163.11147	2.1
165.09108	2.0
171.11630	1.3
173.11743	1.7
175.11258	1.9
177.12682	2.6
189.11211	8.0
195.13797	1.0
205.12254	2.8
223.13300	30.0
223.15482	1.8
227.17874	1.7
234.23933	0.8
237.16292	0.8
245.19032	2.7
249.15074	1.0
255.14351	1.0
255.17245	1.4
263.20123	1.4
263.36328	1.0
273.18478	15.6
285.09991	1.6
291.19537	100.0
292.19873	4.0
324.63956	1.1
347.22400	1.5
365.23157	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	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.4
55.63980	1.0
57.07072	5.5
67.05505	6.7
69.07072	6.4
69.33130	8.6
69.73162	0.9
71.08612	4.6
79.05488	2.2
81.07053	9.8
83.08607	2.1
84.82742	1.1
85.06535	2.7
89.06017	1.1
91.05483	2.6
93.07025	5.2
95.04947	1.3
95.08595	9.8
97.10167	1.2
99.08073	2.2
99.20436	1.1
102.02985	1.0
105.06995	2.6
107.08566	4.5
108.72651	1.0
109.06507	16.7
109.10139	3.3
111.08069	1.2
118.96024	1.0
119.08569	4.1
120.22648	1.1
121.06452	1.3
121.10133	2.8
122.07290	1.8
123.08060	43.0
123.11681	2.3
133.10120	2.3
135.08092	3.3
135.11630	1.6
137.09589	2.4
137.39589	1.0
145.10123	2.2
147.11682	1.6
149.13182	1.6
153.76691	1.1
161.13312	1.4
165.12781	0.9
179.14293	100.0
180.14548	2.4
193.15894	3.7
289.24875	1.4
307.22720	2.1
331.26346	4.7
363.28897	53.0
364.29285	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	364.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01880	2.9
55.05508	3.1
57.03429	5.3
61.02935	3.2
66.09927	2.4
67.05494	2.9
68.99818	2.1
69.03429	20.3
69.20222	7.7
69.20644	19.3
70.06597	6.3
71.05002	4.5
72.08131	2.4
73.02905	7.0
77.06653	2.2
81.03419	33.9
81.07069	6.0
84.04491	3.4
84.08139	5.0
85.02901	58.1
86.09694	6.9
87.00828	24.7
90.06265	2.5
91.05473	4.2
93.07078	3.3
97.02892	89.8
99.04449	8.9
100.74803	2.2
105.01868	68.2
105.07001	2.7
107.08578	2.4
108.04481	7.7
108.05595	2.5
109.02883	34.9
110.07159	2.2
119.08579	3.6
126.05505	3.8
127.03915	100.0
129.10219	3.0
145.04967	43.3
149.94641	2.8
159.02902	10.1
201.62437	2.8
213.03986	5.0
231.04979	43.1
232.47142	2.1
248.07607	16.5
249.06049	37.3
266.08685	32.1
284.09738	35.2
292.59726	2.8
329.01672	2.8
363.21359	2.9
364.21469	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	363.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.4
56.05032	1.8
60.04501	1.0
65.03946	1.2
67.05491	2.9
69.03456	1.0
69.07063	27.0
70.06588	9.5
71.59808	1.4
71.60169	1.2
72.08147	3.5
79.05494	2.8
80.28925	0.9
81.03418	3.5
81.07043	4.1
83.04948	1.2
83.08615	1.3
84.04504	2.1
84.08142	4.0
86.09705	8.1
86.31823	0.8
91.05463	2.7
93.07021	2.2
94.06564	2.3
95.04960	4.0
97.06528	1.6
100.11230	2.3
100.83526	1.0
107.04961	1.6
109.06522	2.4
109.10119	1.2
110.06005	1.3
110.07173	2.9
112.07625	2.2
112.08701	1.0
116.07093	1.4
118.96815	0.9
120.04475	1.4
120.08074	5.7
121.06561	1.0
121.10126	1.5
122.06033	16.0
123.04415	1.8
129.07028	1.2
129.10257	3.0
131.08525	1.6
135.08102	1.0
136.07582	1.1
137.05986	1.7
137.22197	0.9
140.07054	81.7
141.07356	1.5
146.06003	3.5
148.03905	7.8
148.07573	2.0
150.05511	4.2
152.07076	1.6
155.70563	0.9
160.07535	1.1
161.05937	1.9
162.05484	1.8
164.07115	1.7
166.05069	1.3
170.09656	1.9
172.03963	3.6
173.06007	1.7
176.07054	1.7
177.05508	1.2
184.07680	1.1
188.07082	1.7
188.10785	1.8
190.05002	2.0
198.09093	1.6
202.08466	2.0
204.06580	6.5
206.08081	6.4
212.10709	1.5
216.06619	1.7
216.10272	3.9
217.13429	2.3
226.08536	2.6
240.10187	2.3
244.09680	40.8
245.12854	2.6
261.12436	1.3
268.09674	1.4
271.10751	11.2
272.09109	9.0
286.10553	1.1
289.11807	100.0
290.12167	5.4
300.12234	8.9
302.00058	1.1
302.17380	1.4
307.09802	1.4
307.12885	14.5
319.17383	1.7
320.18512	1.2
328.11887	2.3
328.16107	2.0
331.12869	25.5
332.13217	1.6
345.14435	7.6
345.18860	2.7
346.17557	2.6
363.10791	1.0
363.20044	12.7
364.21353	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	364.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.5
56.05026	1.1
57.05820	0.6
60.04521	1.0
63.75339	0.3
67.05506	0.6
69.07076	2.0
70.06589	10.7
71.04976	0.3
71.06944	0.7
71.51749	0.7
72.08150	100.0
73.08498	0.7
74.06090	0.8
79.05484	0.5
81.07060	0.5
82.06624	0.3
83.04949	0.4
84.04509	1.2
84.08141	4.3
85.02910	0.6
85.04795	0.4
86.09705	6.4
87.10050	0.4
91.05480	0.8
93.07043	0.3
95.04946	0.5
95.08624	0.5
97.06503	0.4
103.05482	0.4
105.07025	0.7
107.04953	0.6
109.10130	0.3
110.07156	1.2
112.08710	0.3
115.08696	0.7
117.07009	0.5
119.04962	0.3
120.08094	11.3
121.08453	0.4
129.06831	0.4
129.10234	2.1
130.08650	0.5
131.04939	0.5
131.08553	0.4
136.07576	1.0
137.05986	1.0
140.07140	0.4
143.11772	2.3
143.15431	0.5
145.06519	0.6
146.06039	0.4
149.06000	0.7
161.05939	0.7
162.05563	0.5
164.07085	3.6
166.08614	4.9
171.14914	36.6
172.15271	0.4
173.06010	0.7
175.07539	0.5
176.07057	0.7
177.07823	5.4
178.08650	0.5
180.40031	0.3
183.14938	0.6
187.07582	0.3
199.14410	16.1
203.08133	0.5
211.09641	0.3
211.14410	0.6
213.03351	0.3
217.09729	0.6
219.14923	0.7
221.21399	0.3
223.10739	0.3
234.14529	0.6
241.09868	0.4
244.09734	0.8
245.09251	1.1
258.15012	0.4
263.10263	0.5
265.15491	3.2
274.18024	1.1
279.18564	1.0
287.10333	0.7
302.17499	2.8
305.11273	2.0
320.09268	0.7
320.18552	17.2
321.19037	0.7
323.12442	0.5
333.10892	0.6
346.20004	0.5
347.12250	0.4
347.23102	0.3
364.21182	11.1
365.13412	2.4
365.21201	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	363.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05509	6.5
57.07064	3.2
67.05507	7.5
69.07061	12.3
70.98159	2.0
70.98521	2.0
71.08621	1.9
79.05485	4.3
81.07053	11.2
83.04962	1.9
83.08616	4.6
83.27507	0.9
85.06538	1.5
91.05483	3.4
93.07058	6.3
95.08599	10.8
97.06527	3.6
97.10165	1.7
105.07019	4.4
105.46734	1.0
107.08591	7.3
109.06533	7.6
109.10162	5.4
111.08077	2.6
112.79742	1.1
113.88110	0.9
119.08569	5.1
121.10145	3.7
123.08065	59.1
123.11697	1.4
124.08419	1.1
131.08556	2.0
133.10141	3.7
135.08040	5.2
135.11688	2.9
137.09595	5.6
137.13190	1.0
145.10074	1.8
147.11688	3.3
149.05869	1.7
149.09590	2.1
149.13258	3.1
156.65317	1.0
159.11650	1.3
161.13205	1.7
167.14365	1.5
170.99765	1.1
173.13329	1.5
179.14293	10.7
191.10643	5.5
261.18512	5.2
295.22556	1.5
307.22641	9.5
308.22836	1.0
321.24048	1.2
331.26141	6.0
345.24139	4.2
363.28909	100.0
364.29230	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	363.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.9
56.05017	1.6
60.04509	1.2
60.41440	0.8
65.03929	1.0
67.05516	3.6
69.03418	1.6
69.07067	23.8
70.06593	11.2
71.31329	1.7
72.08160	3.9
72.21355	0.7
79.05468	2.3
79.44585	0.7
81.03396	3.4
81.07046	2.2
83.04953	1.0
83.08588	1.6
84.04486	2.9
84.08132	6.8
85.02934	0.7
86.09225	1.0
86.09704	11.7
90.01805	0.7
90.99367	0.9
91.05463	1.9
93.07018	1.6
94.06549	3.0
95.04948	2.9
97.06522	1.7
100.11256	3.6
105.07043	1.0
106.06600	1.3
107.04925	1.5
108.04434	0.8
108.08130	1.8
109.02849	0.9
109.06527	2.5
110.06030	1.6
110.07152	3.0
112.07593	2.6
115.05373	0.7
120.04421	1.2
120.08094	6.3
121.06496	1.5
121.10055	0.8
122.05184	1.2
122.06025	16.0
123.04419	1.5
129.10214	3.8
131.04901	1.1
135.04401	1.1
136.07550	3.4
137.05977	1.8
140.07062	86.0
141.07344	0.9
145.06499	0.8
145.08847	0.8
146.05980	3.6
147.04410	0.8
148.03925	6.2
148.07568	1.9
149.05882	0.9
150.05444	3.7
152.07060	1.7
155.07144	1.6
157.13428	0.8
160.05289	0.8
161.05981	1.4
162.05495	1.5
163.03871	0.9
164.07222	2.2
166.05002	1.1
166.08583	1.1
167.10759	0.8
170.09637	1.8
172.03918	3.3
173.06035	1.4
173.12944	1.0
176.07050	2.5
177.05498	0.9
180.02890	0.9
186.09250	1.0
187.07506	1.6
188.07043	0.9
190.04906	2.1
198.09109	1.7
199.09799	0.8
200.10646	0.8
202.08453	1.2
204.06584	6.3
206.08141	7.1
210.14804	0.9
212.10667	1.8
216.06546	2.1
216.10223	2.6
217.13260	1.1
219.06461	1.0
226.08633	3.4
240.10237	2.1
243.11343	1.8
243.13820	0.8
244.09691	37.7
245.10117	1.6
245.12866	2.3
261.12292	2.0
268.09729	1.4
271.10797	11.2
272.09134	10.5
286.10730	2.0
289.11816	100.0
290.12204	2.5
300.12302	11.4
301.16388	0.9
302.17416	1.5
307.12875	15.7
313.11798	1.4
319.17355	1.5
320.18439	1.4
328.11975	1.7
328.16122	1.5
331.12860	27.1
345.14435	9.0
345.18832	2.3
346.17221	1.9
363.20016	14.1
364.21075	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	362.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53390	0.7
53.88705	0.7
55.01860	1.0
55.05493	2.5
57.07076	9.8
58.06580	1.8
67.05501	10.4
69.07056	1.3
70.06592	24.7
70.70842	2.3
71.04990	15.3
71.08633	5.5
72.08147	1.9
79.05504	1.1
81.03411	0.8
81.07056	7.1
84.08138	2.1
85.10144	1.2
85.98533	0.7
88.07102	1.6
88.07628	26.5
88.08173	1.8
93.07049	1.2
95.08616	1.7
95.92413	0.8
97.10169	1.6
99.08117	1.0
102.09178	16.9
107.08530	1.5
109.10165	5.3
114.09156	1.4
119.08564	1.0
123.11691	2.3
125.09616	1.5
132.10191	4.4
154.26044	0.7
155.10611	1.1
155.14281	9.6
161.13280	1.0
173.11734	10.8
176.12900	1.4
189.11214	2.3
207.40239	0.8
212.23779	1.4
256.26352	57.2
257.26678	1.7
277.21567	1.7
300.29153	0.9
344.31396	3.6
362.32642	100.0
363.33047	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	362.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01865	1.3
55.05502	3.1
56.05026	5.3
60.04512	3.7
61.01151	1.4
65.03925	1.5
67.05492	1.7
68.05059	1.0
69.03411	1.2
69.07064	2.3
70.02961	1.7
70.06596	25.0
71.05000	0.9
71.06913	1.0
71.50915	0.8
71.51297	1.4
72.08154	19.6
74.06087	2.2
78.24919	0.9
79.05512	1.8
81.03406	1.4
81.07057	1.3
83.06104	1.8
84.04506	5.7
84.08147	9.7
85.02892	1.0
85.08501	1.0
86.09710	26.0
87.05621	0.9
87.10027	1.7
88.03976	2.1
89.03887	1.0
91.05480	10.8
91.50304	0.9
93.07036	1.4
95.04966	1.1
102.05540	1.1
103.05461	9.8
103.47484	0.7
104.05332	2.5
104.06245	4.1
105.07047	6.0
107.04973	5.0
110.07145	10.2
112.95334	0.9
115.05423	5.4
116.07085	12.4
116.43547	0.9
117.03370	2.4
117.07013	1.6
118.04172	2.4
118.06516	1.1
119.04942	5.8
120.08099	29.7
121.06487	3.1
121.08425	2.0
123.04420	3.4
129.06621	1.3
129.10254	6.5
130.04155	2.0
130.04994	2.0
130.06552	1.2
131.04924	28.3
131.08511	1.0
132.05708	33.4
132.08060	0.9
133.02852	2.1
133.06528	6.7
135.04407	3.5
136.05112	1.2
136.07579	6.0
137.05974	8.0
138.05489	1.1
143.04921	4.6
145.02843	2.6
145.06499	3.3
146.03621	1.2
146.06084	1.4
146.11734	2.5
147.03371	1.1
147.04408	8.0
148.05208	4.2
149.06009	5.5
151.03877	2.1
151.07520	3.3
151.52834	0.8
152.04698	2.0
152.07123	1.0
153.05481	1.2
156.07657	0.9
160.05194	19.6
161.05981	17.3
161.07259	1.1
162.05498	2.4
163.03925	1.4
163.07503	6.9
164.04753	1.4
164.07072	1.5
165.05527	7.3
167.07028	32.5
169.13332	1.1
173.05971	2.9
175.06270	1.6
176.04669	3.2
177.05469	24.2
178.05864	1.9
179.05769	1.4
179.07089	23.4
180.07817	6.4
185.16451	2.7
189.05470	36.7
190.05804	1.1
191.05219	1.7
191.07031	56.7
192.07809	100.0
193.08301	3.0
196.09694	9.2
205.08472	4.4
206.08165	2.3
207.06454	1.6
209.08076	14.2
211.07538	2.8
214.08525	1.5
217.08253	2.1
217.13557	3.4
219.14940	5.6
221.06067	1.1
221.08047	26.1
222.08464	1.1
223.05826	1.2
223.13362	0.9
235.14383	1.5
237.02814	1.3
238.10739	6.5
239.06911	0.9
245.12907	1.6
247.14435	1.6
249.12410	3.8
263.14078	1.1
271.09671	3.9
271.13226	2.0
295.09613	3.6
300.16010	0.9
313.10706	3.1
315.12225	4.8
318.17001	4.8
327.12265	49.4
328.12698	1.4
345.10120	1.1
345.13452	11.5
362.15927	7.5
362.19843	2.8
362.24054	2.1
386.01352	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	362.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34985	0.9
53.82031	0.8
55.01866	1.8
55.05513	2.1
56.05036	2.6
57.03421	1.0
58.06594	0.9
60.04522	1.2
65.00584	0.9
65.03944	1.3
67.05492	3.2
69.03437	1.9
69.07064	1.5
70.06590	20.3
70.47199	0.9
71.06917	1.0
71.50977	1.3
72.08153	26.9
79.05485	5.1
81.07067	1.5
84.04504	4.0
84.08144	8.6
85.02904	1.6
85.08447	1.2
86.09705	30.9
86.84702	0.9
87.10030	1.3
90.04724	1.6
91.05476	16.3
93.07042	2.2
95.04971	2.2
97.02895	1.4
102.05560	1.1
103.05464	10.2
104.06251	3.5
105.07043	4.7
105.17661	1.1
107.04959	9.0
109.10158	2.1
110.07154	5.1
112.08721	1.2
115.05445	3.6
116.07092	9.1
117.07062	2.3
118.04160	4.1
119.04978	6.3
120.08105	18.0
121.06537	4.4
121.08418	1.2
123.04411	4.2
125.05936	1.0
128.06230	1.2
129.10297	4.7
130.04140	2.5
130.04991	1.1
130.06537	1.7
131.04932	29.5
132.02022	1.1
132.05705	33.5
133.02831	7.0
133.06511	9.0
135.04390	11.7
136.05252	1.3
136.07558	2.4
137.05992	9.4
143.04927	1.6
145.02939	1.5
145.06503	2.7
147.04419	8.8
148.05180	3.9
149.02338	2.2
149.05974	9.1
150.05812	2.8
151.07579	3.7
152.07069	1.6
153.05473	1.9
160.05179	17.3
161.05975	20.8
161.07289	1.5
163.03889	2.4
163.07542	6.2
164.04723	4.6
164.07056	1.8
165.05486	13.9
167.07042	12.8
173.05986	5.3
173.11703	4.6
176.04710	3.6
177.05444	19.3
179.07037	24.7
179.08568	2.0
180.07817	37.6
181.04939	1.1
181.06516	1.4
181.08554	5.7
181.10005	1.3
185.16472	11.0
189.05417	1.2
191.07024	64.3
192.07803	100.0
193.08313	4.2
195.06540	1.3
205.08659	3.1
207.06436	1.4
209.08087	2.7
213.12653	1.0
213.15994	6.4
219.14938	4.0
223.07541	2.0
224.08369	1.2
235.07608	2.1
237.09084	1.6
240.37842	1.1
247.14555	1.7
253.08440	2.2
255.10252	1.3
263.07141	1.2
263.14282	1.3
265.08609	1.8
267.10168	2.7
271.13351	1.6
273.11020	1.0
277.08841	1.4
282.09097	1.9
283.09732	3.3
295.09515	7.7
297.11148	2.2
299.12778	1.2
315.12262	31.5
327.12271	44.5
328.12546	1.5
344.19055	1.3
345.13327	72.2
346.13715	3.8
359.21524	1.0
362.15921	8.7
362.19919	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	362.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05493	2.3
56.05025	2.1
58.06562	0.6
60.04509	2.0
65.03940	3.8
69.03448	0.6
69.07043	2.0
70.02933	0.7
70.06590	14.1
71.06909	0.6
71.46477	1.1
72.07758	1.0
72.08154	18.3
72.97716	0.5
74.06069	2.2
76.03985	0.7
78.27532	0.5
79.05497	1.1
81.03449	0.9
83.06097	1.4
84.04494	4.3
84.08141	9.3
86.06030	0.6
86.09700	29.6
87.10040	1.4
88.04032	0.6
91.05474	13.5
93.03400	10.2
93.07056	0.5
95.04953	1.8
95.06131	0.6
98.06069	0.5
102.05521	0.7
103.05453	2.1
107.04950	2.0
109.02879	0.7
109.06517	0.8
110.03636	2.0
110.07168	6.7
111.04436	19.8
112.08652	0.6
114.09166	0.8
116.07106	4.0
117.03391	1.1
119.04945	9.8
120.08103	10.8
121.06492	3.3
121.08447	0.7
123.04398	1.4
125.05986	35.3
126.06298	0.6
129.10223	4.4
130.04974	1.3
131.04994	0.6
134.03641	1.8
134.06035	0.8
135.04408	2.9
136.07574	3.4
137.05968	22.3
145.02853	1.1
147.04375	0.9
149.05974	100.0
150.06624	2.6
151.07527	2.4
153.05458	91.3
154.05800	1.9
155.08076	0.6
161.05994	1.4
167.07065	1.6
167.09468	1.0
167.61272	0.7
168.10199	2.1
177.05487	7.0
185.16469	8.5
195.06520	91.6
196.06851	2.7
200.12785	0.7
213.15961	2.7
219.15004	0.8
285.11215	1.8
331.11737	6.5
359.07242	0.6
362.15964	72.4
363.16232	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	362.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
56.05033	2.4
57.03423	2.6
58.06597	1.6
60.04520	1.3
61.02919	3.8
69.03426	10.2
70.06578	3.9
71.04964	1.8
71.53500	1.2
72.08152	5.7
73.02908	2.1
74.06078	5.1
81.03412	3.5
82.06582	7.0
84.04503	6.5
84.08128	4.5
85.02899	22.6
86.09705	8.8
87.04440	3.3
87.10016	1.0
94.06496	1.2
96.08125	1.6
97.02886	6.6
99.04479	1.0
102.05538	1.3
108.08111	2.2
109.02868	2.2
110.06032	8.9
110.07178	1.4
110.09694	1.5
111.06805	8.2
112.07584	3.5
116.07106	1.1
119.08156	1.1
120.08070	1.4
122.09658	8.1
123.26511	1.0
126.05437	1.3
126.09164	2.6
127.03892	5.6
128.07083	14.3
129.10242	1.8
130.06538	1.1
131.32654	1.0
132.10179	3.8
134.08168	1.5
136.07564	2.8
137.08340	4.0
138.09122	17.5
138.10114	1.7
140.07024	6.7
145.04964	2.0
150.09142	5.7
151.09908	6.6
153.05461	1.1
154.08606	17.0
155.09367	3.7
156.10182	14.9
164.07051	3.2
166.08620	13.4
167.09352	3.5
168.10201	26.2
172.09584	1.0
182.08110	22.3
183.08902	4.3
184.09714	2.0
185.09187	1.2
200.09166	100.0
201.09541	2.1
201.12270	1.8
306.50296	1.3
318.15378	9.4
362.14499	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1398
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
55.01865	0.5
55.05500	0.8
55.54561	0.3
56.05035	1.8
58.06590	0.6
60.04512	1.4
65.03939	1.5
67.05491	0.7
68.05018	0.5
69.03431	0.6
69.07065	0.9
69.13967	0.3
70.06586	9.9
71.06900	0.6
71.57099	0.6
72.08150	6.2
73.08471	0.6
74.06064	1.1
75.27188	0.3
79.05509	1.6
80.05009	1.8
81.07046	1.1
82.06562	0.8
83.06089	0.9
84.04496	4.0
84.08140	8.4
85.02892	1.2
85.08490	0.4
86.09702	13.9
87.10023	1.4
89.03867	0.4
91.05477	30.1
92.05003	0.3
92.05766	0.5
93.05780	0.6
93.07043	0.4
94.06564	2.9
95.04982	0.5
95.06065	0.5
96.04478	0.7
96.08103	1.0
97.02938	0.4
98.06070	0.3
101.07091	0.3
102.05565	0.8
103.05473	0.3
104.04953	1.5
105.03407	0.5
106.06544	3.8
107.04939	1.0
107.06097	0.6
108.08105	2.3
109.06511	1.9
110.06020	0.8
110.07182	2.5
111.04463	0.4
112.07593	0.5
112.08704	0.6
115.08692	0.6
116.07079	0.6
117.03359	0.4
118.06521	1.2
119.04941	15.9
120.05254	0.4
120.06738	0.4
120.08094	4.3
121.06476	0.3
121.07620	0.6
122.06033	0.9
122.08405	0.4
123.04424	1.0
124.03961	1.5
125.06112	0.3
127.03910	0.7
129.06531	0.4
129.10234	4.3
130.08646	0.6
131.08365	0.4
132.04442	1.4
132.08084	2.5
132.10190	0.4
133.07596	1.7
135.04395	1.6
135.09157	3.1
136.04759	0.4
136.07585	1.7
137.05972	45.5
137.10707	0.7
138.05487	1.0
138.06372	0.7
143.11736	0.4
144.06551	1.8
145.02827	0.6
147.04416	0.4
147.09149	3.7
147.11305	0.5
149.05928	0.5
149.10707	1.9
150.05493	2.7
150.09109	0.5
151.06221	0.4
151.08597	1.8
152.07053	1.2
153.05417	0.5
159.07729	0.5
161.07117	1.1
161.09254	1.2
163.03917	4.1
164.04257	5.4
164.06987	1.8
165.07993	0.3
165.10234	1.7
166.04944	0.6
166.08611	1.1
168.10135	0.4
173.12860	0.9
176.07047	0.4
177.05467	0.5
178.08560	0.5
179.08159	4.5
180.10249	0.4
181.04997	2.1
181.09700	1.6
182.05281	2.5
183.07999	0.4
187.10855	0.4
187.14439	0.5
189.06979	0.4
191.08171	0.5
192.06554	0.4
193.09705	3.8
197.05920	0.4
197.66374	0.3
202.08650	0.6
203.13968	0.9
207.08063	1.3
211.07556	0.4
212.07069	0.3
215.23972	0.3
218.11739	0.5
225.08673	6.8
235.07507	1.9
239.06982	0.5
252.10265	0.4
253.09422	0.4
269.12845	2.2
271.14401	0.8
273.16031	0.7
281.08200	0.9
283.10825	0.5
296.16312	0.4
311.10287	0.5
315.13425	3.2
316.11795	0.9
317.15036	2.3
329.11240	1.7
343.12894	0.5
361.13934	100.0
361.17966	4.3
362.14212	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	361.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27634	1.3
56.05025	5.7
60.04517	3.1
60.05636	2.7
61.01120	1.8
65.71183	1.4
67.01014	1.3
69.07070	3.3
70.06585	18.1
70.13865	1.7
71.50242	2.1
72.08150	8.4
74.06075	9.9
83.06099	4.8
84.04510	12.5
84.08138	28.9
85.02895	1.7
85.11632	1.6
86.09701	51.4
87.05588	1.6
87.10032	1.4
88.03964	2.5
91.05478	2.5
95.94550	1.3
96.60220	1.5
101.07117	4.8
102.05534	4.4
110.02407	1.8
110.07153	2.6
116.07030	2.4
120.06576	5.0
120.08055	2.8
120.30121	1.5
129.10239	13.6
133.63017	1.7
136.07542	2.5
137.05959	4.3
138.05504	1.6
139.69737	1.5
142.08603	1.9
143.11835	3.5
145.82742	1.3
147.07602	3.1
147.11276	2.6
155.08357	2.4
157.13310	1.6
159.07689	2.2
164.07033	2.7
165.06996	9.4
169.06456	3.2
177.08725	1.8
178.07742	2.7
179.08557	20.7
181.06482	3.1
181.09813	8.2
183.08038	31.8
187.14401	4.6
189.06995	3.5
191.08508	3.7
193.06509	5.1
193.68089	1.4
194.07259	3.0
195.08005	3.1
196.14442	4.2
197.05931	2.4
197.12807	3.1
199.10722	10.6
201.12370	5.0
206.07196	1.6
207.08044	65.4
209.09618	5.1
210.06680	1.8
210.09116	7.0
211.07559	16.5
215.13904	2.3
217.06473	6.4
219.08025	3.6
221.05971	11.8
223.07486	3.7
226.08894	1.5
230.11325	3.5
234.09108	2.7
235.07530	100.0
236.07898	4.5
236.10667	2.5
237.09058	9.4
237.97955	1.5
238.08638	4.2
239.07034	66.3
242.14966	2.6
242.18715	1.4
252.10185	73.1
253.08444	2.9
263.07074	9.1
267.06653	1.7
280.09589	12.3
281.04953	2.9
281.08060	49.2
284.09012	7.0
297.12299	40.5
298.10696	71.5
299.10904	3.8
300.12390	2.0
315.13361	15.0
315.64197	1.6
326.10178	12.0
326.16971	2.1
343.12909	48.2
343.19653	4.6
344.11475	6.1
351.04810	1.5
361.10397	4.1
361.14197	21.3
361.20358	3.3
361.24466	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	361.053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	5.3
61.41345	4.2
69.87723	21.2
70.06593	17.6
70.47549	5.3
72.08162	25.1
74.06052	7.4
82.90800	4.4
84.04520	9.4
84.08153	42.5
86.09698	19.2
90.05528	6.7
91.94341	4.6
102.05557	6.4
116.07092	7.7
119.01889	5.0
129.10257	18.4
130.08647	7.4
137.05978	8.0
147.07690	5.9
147.11288	9.2
166.08641	9.9
187.14426	8.4
210.94035	28.8
222.79167	5.0
277.91922	6.3
298.10892	4.9
361.05249	100.0
361.10437	9.9
361.21494	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	361.053
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68294	14.6
73.69688	8.0
76.78915	6.5
79.08952	6.8
82.96307	6.6
84.08124	15.4
107.23193	7.5
117.03946	9.9
119.01868	14.0
145.03499	34.5
148.03265	7.1
163.04536	11.6
189.02347	8.0
199.04517	8.0
213.02513	16.9
301.00323	13.7
361.05322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.128
Annotation	Gibberellin A59
Peak:m/z	Relative Intensity
51.02374	1.0
53.03940	1.4
57.38384	0.5
69.07059	0.5
70.06577	1.7
71.57687	0.6
71.58146	0.8
77.03973	0.6
79.05491	15.2
81.07062	0.6
86.09703	0.8
91.05471	2.3
95.04962	4.0
95.08607	0.7
103.05509	0.7
105.04525	0.8
105.07015	2.1
107.04951	100.0
108.05301	1.7
119.04930	1.4
123.04399	0.8
128.57867	0.5
129.10228	0.7
131.04922	15.8
133.02840	1.9
133.06482	2.8
135.04405	17.6
141.78557	0.6
147.04420	1.8
149.05968	0.7
151.03880	0.7
151.07584	0.7
153.01848	0.8
153.05457	1.0
163.03905	1.6
166.06300	1.6
167.03404	1.3
167.07019	1.2
167.08456	0.8
168.04073	0.8
175.03854	1.4
176.04736	2.9
177.05457	1.5
178.02658	0.8
178.06232	6.1
179.03377	11.8
181.08591	1.6
182.05730	1.0
183.02910	1.5
188.04739	0.6
191.03372	4.8
193.04961	7.3
194.05740	48.3
195.06276	1.1
196.03674	2.8
197.08052	0.6
203.03461	1.8
204.04205	2.5
205.05000	0.9
206.05716	4.2
207.02876	4.5
209.08086	23.0
210.05214	1.4
210.08521	0.7
211.05991	10.9
221.04497	2.3
221.08043	3.8
222.05212	6.4
223.07607	1.7
224.19580	0.6
225.07516	3.0
237.07549	20.5
249.05363	1.1
249.07602	2.3
251.07050	0.9
263.07086	0.8
265.08661	1.1
267.06509	1.7
267.08691	2.0
269.08090	0.7
279.06491	6.9
281.08026	0.8
292.07245	1.0
294.08865	13.3
295.06024	5.2
295.09091	0.9
297.11182	2.5
308.45844	0.7
310.08182	3.2
313.06976	0.8
315.12366	5.1
325.10693	33.8
326.11111	1.2
343.11746	47.7
344.12173	1.3
351.81195	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	360.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.4
56.05032	9.8
57.07088	6.5
57.07312	1.3
58.06592	2.6
60.04522	100.0
61.72363	1.3
67.05510	11.9
67.11159	1.1
68.73217	1.1
69.07066	8.9
70.06580	4.0
71.08625	4.5
71.56947	2.7
72.04504	4.0
74.06070	2.8
79.05485	8.8
81.05806	1.5
81.07057	9.9
82.06569	11.2
83.04999	6.0
83.08617	5.2
84.04521	3.4
85.10172	1.8
86.06063	16.8
86.09667	1.4
90.05556	3.1
91.05465	2.5
93.07033	7.9
93.93563	1.2
95.08630	8.7
96.08129	2.5
97.06515	2.4
97.10155	3.3
98.06048	1.2
102.05538	18.2
107.08588	3.4
109.10161	5.2
111.11687	1.4
121.10138	4.6
133.30919	1.3
135.11729	3.6
156.83548	1.3
158.40642	1.2
204.30392	1.3
247.24156	1.5
252.26817	5.1
254.28436	5.6
264.23999	1.5
264.26862	49.2
265.25122	14.8
270.27908	3.9
282.27905	67.3
283.28296	2.9
294.27863	2.2
300.28958	8.8
306.27930	8.3
324.28976	20.4
342.30011	80.6
343.30551	4.0
360.31082	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	18.5
55.05510	42.9
67.05503	77.9
69.07059	52.8
70.00534	31.9
70.00951	50.1
70.06580	40.5
71.04980	66.8
79.05492	83.7
81.07050	44.5
83.04962	18.4
83.08620	25.0
84.08159	32.9
85.02902	19.2
91.05477	23.1
93.07050	83.6
95.08584	33.4
97.10176	36.4
105.07041	33.9
107.04900	18.7
107.08598	67.7
109.10152	43.1
119.04968	17.1
119.08578	22.1
121.10141	72.2
125.09626	21.3
131.08562	14.8
133.10124	19.9
153.12737	50.8
173.11707	100.0
189.11223	34.5
240.07813	14.4
251.07111	18.1
264.76105	15.0
275.20135	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	33.0
59.05025	5.2
67.05501	45.8
69.07063	31.4
70.06561	8.0
70.91513	5.0
70.91841	10.9
70.97166	4.3
71.04988	59.7
79.05492	45.2
81.07052	34.2
83.08620	13.9
84.08160	7.5
85.06528	6.2
86.09622	4.6
91.05461	24.4
93.07035	59.6
95.04980	6.6
95.08624	28.0
97.06559	9.3
97.10159	23.6
102.93684	4.3
105.07032	17.0
107.04950	6.2
107.08591	35.7
109.10156	45.8
119.08575	10.0
120.08096	6.7
121.10137	61.0
123.11703	7.7
125.09623	16.5
131.08519	5.4
133.10101	10.7
145.10233	5.1
147.11703	7.2
149.13177	4.2
153.12730	38.0
155.10631	10.5
159.11592	4.3
173.11729	100.0
177.51758	4.8
189.11206	15.8
275.20007	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.3
55.05503	35.0
59.04995	5.2
59.64585	4.2
67.05502	74.8
69.07068	40.4
70.06604	9.7
71.04990	61.9
71.33466	9.7
72.08142	4.9
73.06536	7.8
79.05495	63.0
81.07060	34.6
83.08624	18.4
84.08148	6.4
85.06559	6.0
86.09711	10.0
87.55724	6.0
91.05485	31.5
93.07043	68.9
95.08598	25.2
97.06529	18.9
97.10185	28.7
105.07007	23.6
107.08588	46.7
109.10143	53.3
111.08111	7.3
119.08589	10.2
120.08081	7.0
121.10126	65.3
123.11703	9.5
125.09613	29.8
133.10147	13.6
135.64148	4.3
137.09612	5.9
145.10123	8.1
147.11685	5.9
149.09633	9.0
151.07495	7.6
153.12727	37.9
155.10635	9.2
159.11716	7.3
159.22931	5.3
163.08432	4.0
173.11729	100.0
173.13222	8.1
187.15002	4.9
189.11217	30.5
257.18927	5.6
267.02618	4.9
275.20068	44.9
289.41940	4.5
309.94855	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	360.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76739	0.4
53.03927	0.4
55.05502	1.9
56.05022	2.8
60.04510	1.1
60.05643	0.5
61.01144	1.3
61.20316	0.4
62.58327	0.4
68.05008	0.5
69.03411	1.0
69.07070	2.6
70.06590	13.1
71.05003	0.5
71.06938	0.6
71.50541	0.5
72.08151	17.7
73.08479	1.0
74.06062	1.1
79.05489	0.6
80.04992	0.4
82.06586	0.4
83.06095	2.3
84.04494	9.3
84.06404	0.6
84.08141	9.7
85.02892	4.4
85.04891	0.4
85.08479	0.8
86.09701	100.0
87.05599	0.6
87.10037	2.2
88.03989	1.2
89.03912	1.1
91.05451	2.3
95.04983	1.0
97.02892	1.3
97.06543	0.5
101.07151	0.7
102.05540	2.7
103.05456	1.0
104.05322	0.9
107.04944	1.2
109.02832	0.5
110.05984	0.7
110.07156	3.2
112.08715	0.8
113.07146	0.6
115.05448	0.5
115.08692	0.7
116.07076	1.2
117.03389	1.3
117.63384	0.4
118.08650	6.3
119.04959	2.3
120.08089	2.4
123.04397	1.1
124.07594	0.5
127.03883	0.7
127.08669	0.5
128.06175	0.5
129.06583	2.8
129.10240	5.6
130.05009	0.9
130.08548	0.5
130.10614	0.7
131.04912	1.9
132.10243	2.1
133.02881	0.7
133.10519	0.8
135.04404	4.1
136.07582	1.9
137.05983	2.0
138.05516	0.5
138.09143	1.0
139.03888	1.0
143.11826	0.5
145.02867	3.0
145.04942	1.2
145.06102	0.6
147.04395	5.6
147.08008	0.6
148.06107	0.6
150.05405	0.6
151.03908	0.5
151.07545	1.1
153.06889	0.8
155.08411	0.6
156.07672	0.4
157.13354	0.9
158.10027	0.4
158.13667	0.5
159.09134	0.9
159.11281	0.9
161.05981	0.6
162.05481	0.5
163.03899	22.2
163.07501	0.9
164.04233	0.9
164.07179	0.5
165.05475	2.6
165.07008	3.4
166.08655	0.8
167.07010	1.0
167.08508	0.6
169.13406	0.7
170.05916	0.6
170.11835	0.9
175.10730	0.6
177.05469	2.0
178.06381	0.5
178.07726	2.6
179.08551	6.5
180.06424	0.7
181.04970	10.9
181.06454	1.4
182.05251	0.5
182.06822	0.4
182.12943	0.7
183.08047	8.8
183.11331	0.9
183.13135	0.8
184.11546	1.0
185.12875	0.6
185.16502	2.3
186.13208	0.5
189.05449	0.6
189.07001	2.0
190.12715	0.7
194.08142	1.9
195.08031	1.9
197.05988	0.5
197.12830	4.1
199.07521	0.9
199.18051	25.1
201.14384	0.5
203.12149	1.1
205.06448	0.6
206.09721	0.6
207.08046	14.2
208.08347	0.8
211.07533	3.8
211.12575	0.5
213.15990	1.0
215.13921	6.0
217.06416	0.8
221.05920	3.1
223.07582	3.9
225.09119	1.4
225.12390	1.6
227.07002	0.6
227.17531	8.6
235.07532	23.7
236.07927	1.6
239.07022	15.3
240.07558	0.9
240.10257	1.2
243.13411	1.4
247.12891	4.3
247.15091	0.5
251.06998	2.1
252.07661	0.5
252.10165	10.5
263.06943	2.5
268.09692	0.9
279.06451	2.0
281.08096	14.1
282.08307	1.0
296.09235	1.5
297.07669	1.1
298.10883	1.4
310.10843	0.5
314.10208	3.7
315.44897	0.4
325.07388	0.5
342.13632	0.6
342.22211	0.6
343.08090	0.7
343.12289	0.5
360.10684	1.3
360.14615	1.0
361.14288	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	360.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49361	0.4
55.05509	0.6
56.05032	1.5
60.04521	0.3
61.01150	0.5
67.05499	0.5
69.07053	3.4
70.00269	1.8
70.02940	0.7
70.06591	7.2
72.08154	4.8
74.06082	1.0
75.83910	0.4
79.05453	0.4
84.04485	2.6
84.08136	4.2
85.04013	0.6
86.09703	100.0
87.05585	0.8
87.10012	3.3
88.03989	4.2
89.03908	0.7
91.05479	0.7
95.08584	0.3
98.02422	0.6
102.05592	0.6
103.05417	0.4
110.02394	1.1
110.07175	1.2
112.11250	0.6
113.10757	1.1
115.08726	0.6
116.07123	0.5
117.03387	0.8
119.04969	0.4
120.08101	3.1
123.26095	0.3
129.10252	1.9
130.04984	0.7
130.08665	1.1
132.10194	9.9
133.02715	0.4
134.08125	0.7
135.04445	0.7
136.07574	0.6
137.05962	1.3
138.09135	1.4
139.30008	0.3
141.10196	3.2
143.11818	0.7
144.12076	0.3
145.02864	1.1
147.07713	0.6
152.07043	0.4
155.11781	1.2
156.10178	1.8
157.13351	1.4
166.08638	2.2
167.07082	0.5
169.09886	0.4
177.05458	5.2
178.05890	0.4
183.11288	8.0
184.09743	0.6
187.10802	1.3
199.18071	1.3
200.13911	1.9
201.12358	23.8
201.14243	3.1
211.07603	0.4
212.09171	1.5
229.11821	20.7
247.12875	11.6
267.69778	0.4
271.09711	1.0
296.19586	0.5
316.17389	0.8
325.54132	0.4
343.12125	0.4
360.13528	0.4
360.21487	0.7
361.14545	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	360.2127
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05509	9.4
56.05023	3.0
57.05815	1.6
60.04508	0.6
61.01139	0.9
68.59185	0.5
69.03423	0.4
69.07075	0.8
70.06590	14.9
71.06937	0.5
71.54247	0.5
71.54641	0.6
72.08150	100.0
73.08498	1.5
74.06078	0.7
79.89296	0.4
84.04500	19.0
84.08145	4.5
85.02912	0.6
86.09701	29.3
87.10041	1.4
91.05485	1.7
93.07034	0.5
96.04517	0.5
97.02879	0.5
101.90301	0.4
102.05534	17.2
102.06193	0.9
103.05467	0.6
103.46442	0.5
104.05329	1.4
105.76389	0.4
107.04946	0.8
110.06068	1.4
110.07179	1.5
115.08694	0.8
116.07088	3.7
119.04968	0.9
120.08096	10.0
120.73493	0.4
123.04418	1.0
125.86062	0.5
129.06584	1.0
129.10243	2.4
130.05009	1.0
132.10193	10.6
135.04407	0.4
136.07549	0.5
137.06021	1.3
138.09160	0.8
139.28098	0.4
141.06590	0.5
142.03180	0.5
143.11803	0.6
145.02872	1.3
147.04367	0.9
150.05547	0.4
152.07153	0.8
155.08138	0.5
156.10239	1.4
164.07098	0.5
172.11563	0.6
177.05492	2.0
181.08618	0.6
183.11308	2.7
183.15021	0.5
189.05534	1.5
191.11848	0.6
194.08148	0.7
195.08150	0.8
197.12868	8.2
201.12329	36.9
202.12540	0.6
207.06462	0.7
213.12460	0.6
215.13943	0.9
217.13525	2.2
223.07587	0.5
225.12471	0.5
229.11826	35.6
230.12128	0.8
239.07117	0.6
243.13383	14.8
243.15784	0.8
245.13068	0.9
247.11205	1.2
261.09113	0.7
261.14362	3.4
271.09711	1.5
297.07623	0.6
327.10175	0.6
343.11929	1.6
360.14462	1.6
360.21582	0.8
372.53168	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	360.2127
Annotation	Leu Asp Ile
Peak:m/z	Relative Intensity
55.05495	0.6
56.05024	1.1
56.44065	0.3
60.04509	0.5
60.50955	0.3
61.01148	0.4
67.05474	0.5
69.07066	3.5
70.02957	0.9
70.06587	6.6
72.08151	3.2
74.06071	0.5
79.05517	0.3
81.07076	0.4
82.06551	0.4
84.04498	2.6
84.08133	3.6
85.02879	0.3
85.04033	0.4
86.09702	100.0
87.10027	2.7
87.93401	0.3
88.03985	5.0
89.03917	0.8
91.05473	0.8
94.56043	0.3
96.08134	0.7
97.77433	0.4
98.02414	0.9
102.05555	1.0
103.05471	0.5
104.05353	0.4
105.07053	0.5
107.04984	0.4
110.02399	1.0
110.07162	1.6
110.09682	0.3
112.08697	0.7
112.11255	0.4
113.10731	1.1
116.07091	0.8
117.03373	1.0
120.08102	3.3
129.10207	1.9
130.05008	0.8
130.08621	1.7
132.10194	9.5
134.08163	0.6
135.04437	0.7
136.07564	1.0
137.05969	1.3
138.09137	1.6
141.10220	3.0
143.11792	0.5
144.12163	0.6
145.02846	1.1
146.03154	0.3
147.07642	0.8
149.06003	0.8
151.07532	0.4
155.00986	0.3
155.11777	0.8
156.10176	2.3
157.13397	1.5
163.03961	0.6
166.07431	0.4
166.08644	2.2
177.05447	5.3
177.06909	0.5
178.05937	0.3
183.11281	8.4
183.12782	0.7
184.09682	0.9
184.11473	0.3
186.14911	0.4
187.10803	1.1
190.12616	0.4
199.18082	1.4
200.13954	1.2
201.12349	20.1
201.14212	1.7
207.06319	0.4
211.07600	0.5
212.09167	1.3
227.17653	0.4
229.11826	19.6
230.02666	0.4
230.12285	0.4
234.14993	0.5
239.06897	0.3
247.12877	11.7
271.09659	0.8
296.19629	0.7
316.17548	0.6
324.71585	0.4
342.20169	0.6
360.14487	0.4
360.21674	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	360.2123
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
55.05506	0.6
55.36552	0.6
56.05032	0.6
56.37803	0.5
60.96693	0.6
67.05489	0.9
69.07069	2.4
70.02949	1.1
70.06590	4.1
70.63897	1.8
72.08144	3.6
73.02923	3.9
81.18156	0.5
84.04487	1.3
84.08142	2.9
85.04032	1.3
85.08402	0.6
86.09700	80.5
87.10020	0.8
88.03980	10.1
91.05473	1.2
95.04986	0.6
96.04491	0.8
96.08125	2.8
98.02385	2.9
100.03964	5.1
105.06979	0.6
107.04951	2.0
110.07142	0.7
110.09656	0.7
113.10791	3.0
114.05528	0.6
115.05028	0.7
116.07072	0.6
117.03371	1.6
120.08123	3.0
124.77624	0.6
128.03450	0.7
129.10255	1.6
132.10185	8.0
133.02809	1.4
135.04419	1.7
137.05959	1.3
138.09129	5.1
141.10220	12.0
142.04918	0.9
142.08646	1.2
142.99919	0.6
145.02870	3.5
151.07481	1.1
152.07031	3.9
156.10178	11.0
161.02315	1.3
163.03879	2.1
166.08623	0.8
167.06935	0.7
177.05473	6.3
183.11288	7.3
184.09647	2.9
186.12402	0.8
193.04875	1.8
201.12331	100.0
202.12682	0.8
210.02200	0.7
229.11816	18.5
237.45290	0.7
245.18588	2.5
296.19434	0.7
360.14645	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	360.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
56.05043	1.1
56.96561	0.6
57.03438	0.4
68.05026	0.5
69.07068	11.1
69.24625	4.1
69.25037	1.0
70.02964	0.9
70.06586	7.2
72.08151	2.9
73.04060	0.6
74.06098	0.6
79.05499	0.7
84.04499	1.6
84.08138	5.9
85.02930	0.7
85.04013	0.9
86.09703	91.7
87.05560	0.5
87.10037	3.8
88.03989	14.3
89.03909	3.7
91.05479	1.7
93.07021	1.3
95.04988	0.5
96.08123	4.6
98.02415	3.6
100.04030	0.4
101.10810	0.5
103.05452	0.9
107.04947	1.3
110.07156	2.1
110.09681	2.3
113.10770	1.7
115.05054	0.9
116.07082	0.6
117.03374	12.2
119.04937	1.1
120.08110	7.3
121.08443	0.4
129.10237	5.5
130.08615	0.7
132.10199	6.1
133.06075	2.3
134.03603	0.7
135.04413	2.0
136.07613	0.8
137.05966	1.1
138.09151	2.1
141.10222	11.5
141.11311	0.6
142.08635	1.8
143.11755	1.0
144.12157	0.8
145.02835	26.7
146.03210	1.1
146.06053	0.5
147.04393	1.2
149.05963	4.2
155.11758	1.0
156.10194	19.5
159.09050	0.5
162.05493	0.8
163.03949	0.9
166.08575	1.4
167.07048	0.8
172.11572	0.5
175.03893	0.8
175.11887	0.5
177.05469	51.0
178.05797	2.7
183.11278	4.6
184.09671	1.9
186.05429	0.9
189.12393	0.6
190.12717	0.8
191.11823	0.5
194.08185	0.5
197.11612	0.5
201.12337	100.0
202.12679	1.7
207.06470	0.9
223.07597	0.4
229.11829	15.9
245.18576	0.7
247.12842	0.9
273.12219	0.5
283.10315	0.5
295.08521	0.7
297.07272	0.5
301.11600	0.5
311.09030	1.9
313.09491	1.2
316.18842	0.6
329.10260	0.6
343.12106	0.7
360.14310	0.9
360.17972	0.5
360.21671	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	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58985	0.3
51.66364	0.2
55.05508	0.4
56.05026	0.8
59.05566	0.2
60.04520	0.3
61.01144	0.3
63.02363	0.3
64.82118	0.2
65.03935	0.5
67.05479	0.4
68.40649	0.2
69.03417	0.6
69.07052	1.3
70.06587	6.6
70.38377	0.4
70.38772	0.6
72.08150	2.4
74.06081	0.4
78.04703	0.4
79.05485	0.5
81.03418	0.5
84.04485	0.9
84.08147	2.3
85.02885	1.6
86.09699	12.8
87.00822	0.6
87.10014	1.2
88.03980	0.3
89.03908	8.6
91.05476	0.9
93.06999	0.2
94.06546	0.2
95.04978	0.8
97.02892	0.6
98.06047	0.4
102.05540	0.5
102.49610	0.3
103.05486	0.7
104.05337	0.6
104.76399	0.2
105.01838	0.5
106.04125	0.4
107.04935	1.4
109.02866	0.5
110.07145	1.0
116.07080	0.4
117.03371	25.4
118.03671	0.3
119.04920	0.8
120.08086	1.7
121.02901	1.2
121.06475	0.5
123.00715	0.3
127.03910	1.2
129.10228	1.3
130.05035	0.3
130.06482	0.3
131.04921	0.3
132.10168	0.8
134.03619	1.8
134.05971	0.4
135.04411	2.4
136.07547	0.7
137.06004	1.5
141.10181	0.4
143.11752	0.4
145.02834	52.8
146.03186	0.6
147.04356	0.5
149.05971	7.9
151.07524	0.4
152.04688	0.8
153.10164	0.4
158.06029	0.4
159.02911	0.5
160.33939	0.2
161.05911	0.6
163.03885	0.9
166.08699	0.4
167.03387	3.8
167.07010	1.8
177.05455	100.0
178.05852	1.5
183.11285	0.5
186.05470	1.7
189.12354	0.6
194.08183	2.1
201.10583	0.5
201.12335	1.0
207.06598	0.3
209.05994	0.2
211.07425	0.3
213.12358	0.4
228.13281	0.4
229.11778	1.0
229.15503	0.5
230.11967	0.3
239.06900	0.2
247.12910	0.7
257.07935	0.3
267.06516	0.3
281.08044	0.3
299.08939	0.6
330.10715	0.4
342.10541	0.7
343.11899	0.3
360.14590	0.4
360.18582	0.3
361.14249	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	360.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42012	0.3
52.66908	0.2
53.03947	0.4
55.05502	0.4
56.96553	0.3
60.04513	0.3
63.02382	0.5
66.69220	0.3
69.07056	0.5
70.02953	0.3
70.06597	2.5
71.50891	0.3
71.51319	0.4
72.08153	1.4
73.02898	0.3
78.04720	0.3
79.05477	0.5
81.07055	0.3
84.04492	0.9
84.08129	1.6
86.09704	8.1
88.03986	1.1
89.03913	6.1
91.05487	1.2
93.07041	0.4
96.08129	0.3
97.55779	0.3
99.06367	0.3
103.05463	0.6
105.06983	0.3
106.04205	0.6
107.04934	1.8
110.07152	0.6
117.03376	22.1
118.03692	0.6
119.04918	0.6
120.08081	1.0
121.06480	0.6
123.04444	0.5
124.05201	0.5
129.10228	1.4
132.10197	0.5
134.03627	1.8
135.04378	2.6
136.07562	0.3
137.05962	0.7
141.10245	0.7
145.02837	52.0
146.03188	0.7
149.05963	7.5
151.07481	0.4
152.04625	0.5
156.10233	1.2
158.06116	0.4
162.05426	0.3
163.03922	1.0
164.07027	0.4
167.07068	2.1
177.05461	100.0
178.05815	1.9
186.05481	1.7
194.08127	0.5
197.44785	0.3
201.12341	6.5
203.88687	0.3
229.11792	1.0
242.63585	0.3
265.14337	0.3
295.61563	0.3
326.26672	0.3
360.14096	0.7
360.21561	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.33049	0.4
55.01864	1.6
55.05494	2.0
56.05024	2.2
57.03424	0.7
60.04514	1.4
60.05665	0.5
60.19519	0.5
61.01130	0.7
61.02914	1.5
68.84837	0.5
69.03422	3.9
69.07069	0.7
69.25877	0.5
69.26198	5.3
70.02954	0.6
70.06210	0.9
70.06590	16.2
71.06909	1.0
72.08150	13.1
73.02911	0.9
73.08488	0.5
74.06071	3.6
79.05481	1.2
81.03405	2.1
83.04979	0.8
83.06078	0.9
84.04497	6.0
84.08141	12.9
85.02897	12.9
85.08478	0.7
86.09703	13.9
87.05526	0.5
87.10010	1.3
88.03974	0.9
89.03904	3.9
91.03955	0.8
91.05482	2.7
97.02877	3.7
99.04447	0.7
102.05523	2.1
103.05432	0.9
105.03394	0.8
105.07011	0.8
107.04956	3.0
109.02883	1.8
110.06037	0.5
110.07168	3.4
111.09222	0.6
112.08723	0.9
115.08717	0.6
116.07085	1.4
117.03363	4.9
118.08828	0.5
119.04916	1.7
120.08089	4.0
121.06505	0.6
122.06046	1.2
123.04414	0.9
127.03902	3.3
127.08619	0.7
129.10226	7.2
130.06526	0.5
131.04933	1.2
132.05731	1.2
132.10251	0.6
133.06493	1.0
134.05969	0.9
135.04407	15.2
136.07579	1.7
137.05981	3.3
138.06459	0.6
139.03888	2.1
144.06566	0.8
145.02849	10.8
145.04913	4.2
147.04366	2.4
149.06017	0.7
149.09587	0.5
150.05486	1.5
151.07498	0.6
161.05954	1.9
162.05528	1.5
162.07584	0.9
163.03894	100.0
164.04202	2.2
165.05495	1.1
166.08620	0.5
167.07022	1.4
171.14880	0.8
176.07109	1.5
177.05467	0.7
180.06496	0.8
181.04945	41.8
181.08533	1.5
182.05273	0.9
183.08031	1.2
185.16460	1.6
187.14261	0.6
189.05489	0.7
190.12592	0.9
192.07893	1.0
193.08551	0.9
198.07527	0.6
206.08095	0.7
207.08017	1.4
211.07478	0.7
221.06113	0.6
223.07559	0.7
235.07494	1.9
239.07031	1.8
247.12881	0.7
252.10150	1.2
263.13980	1.7
281.08139	0.6
286.61896	0.6
298.11218	0.5
310.10703	1.7
314.10068	0.7
329.10834	1.1
343.11673	1.2
360.14261	4.9
360.23434	1.2
361.13962	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	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01868	0.5
55.05523	0.6
57.03420	0.6
61.02914	2.1
69.03430	2.6
69.46014	4.0
70.06585	4.1
71.62527	0.4
72.08144	3.9
73.02901	0.9
79.05483	0.7
80.48226	0.5
81.03395	1.0
84.04483	1.1
84.08147	3.0
85.02900	12.9
86.09702	8.9
89.03914	2.6
91.03918	0.8
91.05480	0.8
97.02881	3.6
98.20791	1.1
99.04424	0.7
102.05516	0.8
107.04929	2.4
109.02862	0.8
110.07120	0.9
114.62769	0.5
117.03367	6.8
120.08092	0.7
127.03889	2.5
129.10239	1.3
135.04407	13.9
136.07547	0.5
139.03879	0.5
145.02835	10.4
145.04919	3.1
147.04346	0.6
163.03889	100.0
164.04257	1.6
180.08693	0.9
181.04939	36.2
182.05313	0.6
183.08066	0.6
185.16489	1.1
199.18123	0.6
235.07458	0.9
300.13528	0.5
347.23718	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	360.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91747	0.9
55.01862	3.2
56.05021	1.9
60.04509	2.7
60.05640	1.3
65.03941	7.8
67.05480	2.2
68.05006	1.6
68.99780	1.7
69.07038	1.6
69.94133	4.0
70.02940	1.2
70.06592	19.6
71.04984	1.5
71.06904	4.0
72.08160	13.9
74.06069	1.1
75.61200	0.9
79.05495	1.6
80.05013	1.8
82.06580	1.3
84.04496	5.9
84.08138	11.9
85.49245	0.9
86.06056	1.0
86.09705	19.0
87.05588	3.0
87.10041	1.9
88.03975	4.2
93.03402	8.6
93.69395	1.0
94.06552	2.1
95.04942	3.2
96.04501	1.2
98.02383	1.1
101.07140	1.0
102.05558	1.7
104.04954	1.3
105.03377	2.1
107.04941	2.2
110.07124	1.4
111.04440	49.5
112.04772	1.3
112.08698	2.7
113.09068	2.1
113.85700	1.0
115.08627	1.3
116.07080	4.7
117.07421	1.4
120.04445	1.5
120.08101	1.3
121.32343	1.1
122.06011	6.0
122.07000	1.3
123.04425	13.9
124.03963	1.3
124.07576	1.2
129.01817	2.3
129.10243	8.0
130.04990	2.1
130.08659	1.5
132.04436	3.9
133.02849	17.7
133.06085	1.4
135.04349	1.1
136.07510	1.0
137.05940	1.8
139.00290	1.7
139.03899	100.0
140.04225	2.6
141.10193	1.5
147.07661	1.6
147.11339	1.4
148.06071	1.6
150.05505	11.9
151.03903	19.2
152.07021	1.4
155.11772	1.6
157.04982	2.0
163.03813	1.1
164.07047	4.0
166.07234	3.4
166.08636	6.4
167.05733	3.2
168.06563	29.7
168.25787	1.1
169.06836	1.1
175.11876	1.8
183.11308	1.9
185.16507	2.3
200.13904	6.8
201.12363	1.1
213.16077	1.8
226.17245	1.2
228.13518	2.6
235.07515	1.6
241.31519	1.0
252.10214	1.2
269.12787	1.1
295.25296	1.1
315.13242	2.4
342.08328	2.8
343.21481	1.2
360.24249	18.3
361.10590	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	359.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05503	1.6
56.05033	3.0
57.05816	2.0
58.06585	2.1
60.04525	1.4
60.05646	11.9
65.03938	1.0
67.05504	1.7
68.05034	1.4
69.03444	0.8
69.07047	1.2
69.42247	0.7
70.02960	1.1
70.06590	100.0
71.01321	1.5
71.04991	5.6
71.06916	1.5
72.08153	18.6
74.06063	5.6
79.05478	1.5
81.03413	1.0
83.06082	0.7
84.04504	6.9
84.08141	16.9
85.02888	1.4
85.07664	1.4
85.08442	1.0
86.09703	30.5
87.05597	1.7
88.04021	1.4
88.07626	3.5
89.07134	1.4
89.85790	0.6
91.05851	1.2
92.52337	0.8
93.03430	1.1
94.06568	1.2
95.04929	1.5
95.06081	2.4
96.04523	1.3
97.02879	1.0
97.07624	1.8
98.06043	2.1
100.07640	0.7
101.07131	3.8
102.05540	2.0
107.04959	4.1
108.05283	2.7
109.02885	0.8
110.06033	2.6
110.07156	3.3
111.04446	7.5
111.06374	0.8
112.08722	22.0
113.07153	1.6
114.06631	1.4
115.08678	6.8
116.07087	18.8
118.64510	0.8
120.04444	1.3
120.08125	2.0
122.03607	0.8
122.05993	1.5
123.04440	2.6
123.05497	0.7
124.03950	1.0
124.07636	0.7
127.03891	0.9
127.08601	1.2
129.01828	1.2
129.06590	1.3
129.10233	6.9
130.05022	5.2
130.08659	3.8
130.09630	0.7
132.04414	1.4
132.10182	2.1
133.02812	1.8
135.04388	2.6
136.04776	2.4
136.07585	1.2
137.05943	1.4
138.05478	1.1
138.12914	0.8
139.03905	12.9
140.04703	1.2
140.08162	3.1
141.10211	5.1
143.11743	1.6
144.10226	1.0
145.09709	10.4
147.07642	7.1
147.11281	4.1
149.04277	1.1
150.05479	2.3
151.03879	1.6
151.06227	2.2
152.06900	1.6
155.03394	0.9
155.08167	1.0
156.11394	0.9
157.10861	5.0
157.13326	1.9
158.09245	3.4
163.03899	2.4
164.07103	2.0
166.05037	1.7
166.07242	1.6
166.08603	19.2
166.09962	1.3
167.05833	7.3
167.08990	23.6
168.06544	3.4
168.09142	0.9
168.11327	1.8
169.09741	1.3
173.09215	8.8
175.11888	6.9
183.12437	8.3
183.14949	1.8
185.12871	0.9
185.16428	4.2
186.12328	1.6
187.10796	7.0
200.07088	0.9
200.15179	1.0
203.13927	0.9
211.11951	5.0
213.15936	1.5
225.17065	3.4
228.14499	2.6
229.12984	4.5
238.03943	0.8
244.12874	2.8
246.15669	17.9
269.12863	2.1
270.19043	0.8
271.14780	0.8
271.17535	2.4
272.08969	0.8
288.20285	1.7
300.18787	0.8
315.13278	3.3
342.21384	6.9
359.08206	0.9
359.12305	15.0
359.23911	87.6
360.12555	1.8
360.24359	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	359.2287
Annotation	Leu-Leu-Asn
Peak:m/z	Relative Intensity
52.30313	0.4
53.12837	0.4
55.01871	0.9
55.05505	1.2
56.05038	3.2
56.96546	0.5
60.04509	0.5
69.03428	0.5
69.07063	9.0
70.02943	2.2
70.06586	7.9
71.06931	0.5
71.51035	0.8
72.08150	6.5
73.59470	0.4
74.02480	0.5
74.06079	3.5
79.05479	1.3
81.07076	1.0
83.06094	0.8
84.04498	5.2
84.08140	9.8
85.02901	1.1
85.04021	1.9
85.08434	0.6
86.06082	0.5
86.09702	100.0
87.05584	7.4
87.06072	0.8
87.10022	1.0
88.03972	1.5
89.03912	3.1
90.04249	0.6
91.05460	2.5
92.05820	0.4
93.07035	0.7
95.04990	0.8
95.08611	0.5
96.04511	0.6
96.08133	3.8
97.06512	0.5
98.02409	4.5
101.07144	1.0
101.10814	0.5
102.05534	1.0
103.05460	1.5
104.05342	0.5
107.04959	1.2
107.08588	0.5
108.08083	0.5
109.06512	1.0
110.02424	2.9
110.06022	0.6
110.07169	8.0
110.09678	1.9
112.11230	0.6
113.10740	3.2
115.05441	0.6
115.08695	1.7
116.07113	1.3
117.03373	8.2
118.03722	1.3
119.04942	1.0
120.06595	0.5
120.08089	6.4
121.06523	0.5
123.04415	1.0
124.03961	0.7
129.10252	7.0
130.04994	1.2
130.08669	0.7
131.04935	2.0
132.04422	0.5
132.08121	0.8
132.10201	4.0
134.03644	0.8
135.04411	2.1
136.07579	1.5
137.05978	4.3
138.09131	3.8
141.10213	13.6
143.08147	2.2
143.11819	1.4
145.02834	19.2
145.06462	0.6
146.03159	3.7
146.11749	3.0
147.04417	1.3
147.11272	0.8
148.04869	0.7
149.02315	3.6
149.05956	3.7
150.06442	0.6
151.07547	1.6
155.11786	11.6
157.13400	0.8
159.09161	0.5
161.05934	0.8
162.05438	0.6
163.03893	4.2
163.07539	0.7
164.04243	1.2
165.06996	0.5
166.06308	0.6
166.08644	6.1
167.07053	1.7
169.09685	0.9
171.11325	1.4
175.07521	1.1
177.05470	31.0
178.05814	8.6
179.07069	1.0
179.10703	0.5
181.04932	1.4
181.06386	0.6
183.11267	11.8
183.12772	0.8
186.05515	0.9
187.10780	1.5
189.12314	1.0
191.07053	0.5
194.08235	2.6
197.11728	0.9
200.13930	41.1
201.12358	0.7
205.06834	0.7
206.07120	0.6
209.14061	0.5
211.10742	3.9
212.09166	2.9
214.11908	0.6
217.13565	0.5
217.15532	1.9
219.08218	0.6
221.12888	2.1
228.13426	21.0
229.11792	2.9
234.14888	0.6
235.08043	0.9
237.13332	0.6
240.07829	0.5
245.18611	0.8
246.14442	5.8
251.15077	1.3
253.08476	0.7
255.17072	0.9
256.07080	0.7
269.08179	0.7
279.17062	0.7
296.19653	4.5
299.09259	1.5
303.62097	0.5
310.08112	0.6
313.10410	1.3
315.19058	1.2
325.17633	1.8
327.08752	0.7
328.39923	0.5
341.10300	1.3
342.20212	1.9
359.12946	4.5
359.23468	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	359.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.1
56.05030	6.2
60.04511	1.6
61.01123	0.7
67.05496	0.7
68.05012	1.2
69.07072	2.8
69.95871	3.0
70.06588	15.9
71.06913	1.0
72.08150	62.8
74.06083	1.5
81.07079	0.9
83.06100	39.2
84.04501	36.7
84.08138	16.3
84.56596	0.5
85.02896	1.5
85.08469	0.7
86.09702	100.0
87.10046	1.7
88.04005	1.3
91.05487	1.9
94.06567	0.8
96.04475	0.6
96.08137	0.7
97.07733	0.6
101.07140	10.1
102.05547	3.1
103.05457	0.6
104.05326	0.8
105.03392	0.7
107.04960	1.2
110.07175	2.8
110.09684	1.9
112.03944	0.8
112.08727	2.0
115.08688	1.1
116.07067	4.2
117.03368	1.8
117.07454	0.8
118.08639	7.3
119.04949	1.0
120.08110	2.5
123.04476	0.7
124.11229	0.8
129.06575	7.7
129.10228	14.0
130.08682	1.4
130.10580	0.9
131.04994	0.7
131.11781	1.4
132.10191	38.5
135.04361	1.3
136.07634	1.2
137.05969	2.9
138.05489	0.6
138.09123	17.2
143.11819	2.0
144.06586	0.9
144.10229	1.1
144.60789	0.6
145.02847	2.1
147.04466	0.7
147.11282	1.1
149.05928	0.7
152.07060	0.7
155.11790	6.9
157.07675	1.6
157.09749	1.8
157.13361	6.2
161.12901	1.0
163.03969	1.1
163.07578	1.1
164.07108	0.9
165.05516	0.9
165.06891	0.6
166.08640	1.0
167.07074	1.1
171.07867	0.7
171.11279	1.3
172.10892	0.6
173.12915	0.9
175.07565	1.6
175.10736	6.5
177.05406	2.8
182.12877	37.3
183.11285	34.0
185.12830	6.5
185.16501	1.1
189.12434	1.8
196.14478	2.0
197.12869	3.0
199.17993	3.8
200.13942	17.5
201.12399	0.9
203.14012	0.6
207.08034	1.0
210.12360	15.4
211.10620	4.6
213.16087	0.9
214.15619	0.8
215.13998	2.1
216.14262	1.0
224.13966	1.2
225.12396	1.7
227.17656	1.4
228.13434	9.1
231.17046	1.5
235.07614	1.2
242.15082	2.0
246.14638	2.0
247.13002	1.0
256.12601	0.7
281.07901	0.9
315.41318	0.6
329.14044	1.0
341.21823	22.3
341.25839	1.3
342.20215	1.1
344.76022	0.6
359.07471	0.9
359.12265	1.4
359.16641	0.9
359.23184	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	359.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05508	8.8
56.05026	3.3
57.05818	0.9
59.37983	0.4
60.04524	1.5
61.01139	0.8
67.05542	0.4
69.03424	0.9
69.07070	1.5
70.06599	16.1
71.04977	0.4
72.08154	100.0
73.08493	0.8
74.06087	1.5
78.03476	0.3
79.05477	0.7
81.62174	0.4
82.06609	0.6
83.05009	0.7
83.06100	6.9
84.04502	14.1
84.08145	12.0
85.02914	1.0
86.09703	35.0
87.10049	1.0
88.03976	0.5
89.03922	0.5
91.05480	1.7
94.06599	0.5
96.04449	0.6
96.08105	0.6
97.02888	0.6
101.07143	3.0
102.05540	1.8
103.05470	1.6
104.05325	0.8
106.06543	0.7
107.04969	1.1
110.06080	0.8
110.07141	2.6
110.09698	0.6
111.06366	0.4
111.09139	0.4
112.08731	1.3
113.07140	0.6
115.08689	0.5
116.07097	3.0
117.03395	1.1
117.10251	12.9
118.08681	1.5
119.04926	0.5
120.08112	3.1
122.02706	0.4
122.06042	0.6
124.03945	0.8
129.06625	1.8
129.10245	8.9
129.11130	0.7
130.05038	0.9
130.06519	1.7
130.08675	0.8
131.04956	0.8
131.05974	0.5
132.04489	0.4
132.10187	8.3
133.02861	2.2
133.07652	0.4
136.07565	0.9
137.06000	2.0
138.09164	1.6
141.10216	0.6
143.11787	7.7
145.02859	1.4
146.03163	0.7
147.04430	0.4
147.11325	1.0
149.05991	1.5
150.05504	1.4
152.07069	3.2
155.08179	0.7
157.07654	1.5
163.03880	0.9
165.05447	0.6
165.07603	0.4
166.05042	1.0
166.08698	0.5
169.13408	0.9
171.11275	4.8
173.06085	0.4
173.12915	1.2
177.05473	1.6
178.05878	0.7
178.37038	0.4
183.11293	2.5
183.14961	0.4
189.12349	4.5
194.08162	2.3
194.09698	1.0
196.11273	0.6
196.14458	1.4
197.12856	5.4
200.13924	1.9
201.12344	1.0
202.08530	0.3
204.08107	0.4
206.09778	0.5
211.10756	9.1
215.13925	1.9
217.13747	1.1
219.08115	0.4
221.10742	0.8
223.12227	2.4
225.12265	0.6
228.13425	21.6
229.11841	0.8
235.08026	0.6
242.14981	7.9
242.79697	0.4
243.13361	4.4
246.15570	0.4
260.16074	4.9
267.11087	0.5
313.11887	1.4
315.13031	0.4
330.04730	0.5
342.20285	0.6
359.12372	11.8
359.16580	1.1
359.22864	2.5
360.13120	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.68557	0.5
50.84461	0.5
53.03934	1.2
55.01855	1.2
55.05498	1.7
56.05025	1.9
57.03424	1.2
59.04994	0.8
60.04509	1.1
60.05639	0.6
61.02918	1.8
65.03938	0.8
67.05500	2.1
69.03436	5.8
69.07065	12.7
70.02946	1.3
70.06590	17.2
71.04977	0.9
71.06915	0.8
71.33021	1.0
71.33378	1.0
72.08154	7.8
73.02919	1.2
74.06062	1.0
79.05478	1.9
81.03410	2.4
81.07052	1.3
82.06561	0.6
83.04955	0.9
83.06103	0.8
84.04497	3.8
84.08142	19.3
85.02901	18.8
85.04015	2.3
85.08476	0.9
86.09702	100.0
87.05592	8.0
87.10034	1.6
88.03983	1.3
89.03905	2.9
91.03963	1.0
91.05460	5.1
93.07040	4.5
94.06524	0.6
95.04960	3.4
95.08601	0.8
96.08135	1.1
97.02890	4.5
97.06526	0.9
98.02407	1.8
102.05517	1.4
103.05461	0.5
105.07022	5.3
107.04966	1.3
107.08591	12.2
109.02889	2.0
109.06528	1.5
109.10146	1.9
110.02391	4.6
110.07154	2.9
110.09682	1.1
111.04457	0.8
112.08716	1.8
113.10765	2.8
115.08744	0.6
116.07066	2.6
117.03383	6.6
119.04941	1.6
119.08559	2.0
120.08101	3.9
121.02846	0.6
121.06502	1.6
122.03606	0.6
123.04446	1.6
123.11750	0.6
124.03943	1.3
124.07609	1.1
127.03924	4.7
127.08728	0.7
129.10229	11.4
130.05086	1.0
130.06516	1.2
130.08606	0.8
131.04967	0.6
131.08649	0.7
131.11812	0.8
132.08083	1.3
132.10176	3.3
133.10117	14.3
135.04359	1.0
135.11697	11.6
136.07611	2.6
137.05959	2.4
137.09631	1.1
138.09125	3.1
141.10234	10.2
143.11856	0.6
145.02847	16.2
145.04987	2.2
147.04401	0.7
147.11461	0.5
149.05978	2.8
150.05484	0.6
151.03905	0.6
151.11203	1.6
155.11763	2.8
159.09259	0.9
161.05989	0.9
161.09599	6.8
162.05476	0.7
163.03876	0.7
164.07025	0.9
166.08643	8.6
167.03400	1.8
167.07047	1.3
170.06110	0.7
171.11342	0.6
177.05464	23.2
178.05917	0.9
179.10664	24.4
180.11044	0.8
181.06458	0.7
183.11292	9.0
186.05569	0.6
187.10765	5.1
190.38255	0.5
194.08142	2.2
197.11722	59.8
198.06984	0.6
198.12059	2.5
200.13928	9.5
201.12231	2.5
211.10695	5.2
212.09161	6.4
227.06923	0.5
228.13414	19.3
228.17004	1.0
229.11801	7.3
229.13582	0.6
230.12148	0.8
239.07170	0.6
246.14473	13.9
296.19629	3.9
299.09256	1.6
312.07095	0.8
313.10736	0.7
314.20758	1.8
327.12482	0.8
336.22583	0.6
341.10458	1.6
342.10657	1.1
342.20447	1.6
359.12277	2.7
359.16782	0.8
359.22678	2.5
359.27103	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	359.1486
Annotation	FUMIQUINAZOLINE F
Peak:m/z	Relative Intensity
53.03941	1.0
55.01880	0.7
55.05529	0.8
56.96558	2.6
61.02923	0.9
65.03939	3.4
66.04694	0.7
67.05509	1.8
69.03433	1.1
73.02906	1.9
79.05498	2.0
81.07061	2.2
87.04473	5.1
91.05479	54.9
92.05839	1.3
93.07042	18.0
95.04967	1.9
95.08610	1.9
97.02879	1.8
98.97604	1.9
105.07007	0.7
105.78356	0.6
106.04192	2.3
107.04958	2.8
107.08604	0.8
108.27928	0.6
109.06516	16.6
116.98612	1.2
119.01797	1.5
119.06071	7.3
119.08611	0.7
119.89311	0.7
121.06502	100.0
122.06845	1.1
124.05212	3.4
128.98607	1.0
131.00156	1.7
147.08028	1.0
149.01234	3.9
156.03604	2.3
156.53770	1.3
167.02278	1.9
167.54425	1.1
168.04507	1.1
175.07507	4.7
177.00787	1.1
182.32480	0.6
193.04959	1.2
211.06015	14.1
221.04408	1.4
222.05254	1.1
228.05849	0.9
236.06818	1.3
237.07590	8.2
251.09132	6.0
264.60861	0.7
277.14041	0.9
277.64066	3.6
358.66605	7.4
359.14838	46.1
359.29660	3.2
359.66766	0.9
360.15100	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	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68557	0.5
50.84461	0.5
53.03934	1.2
55.01855	1.2
55.05498	1.7
56.05025	1.9
57.03424	1.2
59.04994	0.8
60.04509	1.1
60.05639	0.6
61.02918	1.8
65.03938	0.8
67.05500	2.1
69.03436	5.8
69.07065	12.7
70.02946	1.3
70.06590	17.2
71.04977	0.9
71.06915	0.8
71.33021	1.0
71.33378	1.0
72.08154	7.8
73.02919	1.2
74.06062	1.0
79.05478	1.9
81.03410	2.4
81.07052	1.3
82.06561	0.6
83.04955	0.9
83.06103	0.8
84.04497	3.8
84.08142	19.3
85.02901	18.8
85.04015	2.3
85.08476	0.9
86.09702	100.0
87.05592	8.0
87.10034	1.6
88.03983	1.3
89.03905	2.9
91.03963	1.0
91.05460	5.1
93.07040	4.5
94.06524	0.6
95.04960	3.4
95.08601	0.8
96.08135	1.1
97.02890	4.5
97.06526	0.9
98.02407	1.8
102.05517	1.4
103.05461	0.5
105.07022	5.3
107.04966	1.3
107.08591	12.2
109.02889	2.0
109.06528	1.5
109.10146	1.9
110.02391	4.6
110.07154	2.9
110.09682	1.1
111.04457	0.8
112.08716	1.8
113.10765	2.8
115.08744	0.6
116.07066	2.6
117.03383	6.6
119.04941	1.6
119.08559	2.0
120.08101	3.9
121.02846	0.6
121.06502	1.6
122.03606	0.6
123.04446	1.6
123.11750	0.6
124.03943	1.3
124.07609	1.1
127.03924	4.7
127.08728	0.7
129.10229	11.4
130.05086	1.0
130.06516	1.2
130.08606	0.8
131.04967	0.6
131.08649	0.7
131.11812	0.8
132.08083	1.3
132.10176	3.3
133.10117	14.3
135.04359	1.0
135.11697	11.6
136.07611	2.6
137.05959	2.4
137.09631	1.1
138.09125	3.1
141.10234	10.2
143.11856	0.6
145.02847	16.2
145.04987	2.2
147.04401	0.7
147.11461	0.5
149.05978	2.8
150.05484	0.6
151.03905	0.6
151.11203	1.6
155.11763	2.8
159.09259	0.9
161.05989	0.9
161.09599	6.8
162.05476	0.7
163.03876	0.7
164.07025	0.9
166.08643	8.6
167.03400	1.8
167.07047	1.3
170.06110	0.7
171.11342	0.6
177.05464	23.2
178.05917	0.9
179.10664	24.4
180.11044	0.8
181.06458	0.7
183.11292	9.0
186.05569	0.6
187.10765	5.1
190.38255	0.5
194.08142	2.2
197.11722	59.8
198.06984	0.6
198.12059	2.5
200.13928	9.5
201.12231	2.5
211.10695	5.2
212.09161	6.4
227.06923	0.5
228.13414	19.3
228.17004	1.0
229.11801	7.3
229.13582	0.6
230.12148	0.8
239.07170	0.6
246.14473	13.9
296.19629	3.9
299.09256	1.6
312.07095	0.8
313.10736	0.7
314.20758	1.8
327.12482	0.8
336.22583	0.6
341.10458	1.6
342.10657	1.1
342.20447	1.6
359.12277	2.7
359.16782	0.8
359.22678	2.5
359.27103	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	359.1123
Annotation	Arteminorin D
Peak:m/z	Relative Intensity
50.03008	2.2
51.91109	2.1
55.05492	4.6
57.87465	2.0
61.22491	2.2
65.03922	5.9
67.05509	4.1
69.07072	6.2
70.01797	7.9
70.06593	17.2
72.08148	25.1
73.02897	3.2
74.06074	3.3
75.64827	2.2
79.05466	3.9
81.06985	2.4
84.04492	7.5
84.08135	14.0
85.02876	3.5
86.09703	31.5
87.10022	2.4
89.03883	2.2
91.05456	6.3
93.03422	3.2
93.07043	3.7
95.04946	6.1
96.02096	8.0
97.06482	3.0
103.05486	2.7
105.07012	4.3
107.04947	13.7
107.64965	2.3
109.17792	2.2
110.07198	3.0
111.04427	32.3
111.59170	2.1
113.89708	2.1
116.24022	2.1
117.03409	5.9
119.04910	4.0
120.08114	5.4
121.06500	5.6
123.04407	3.0
129.10217	7.0
130.04973	4.2
131.04916	8.1
135.04395	5.2
137.05975	9.4
138.03096	4.7
139.03893	14.5
141.10214	3.0
145.02844	11.1
145.06476	9.1
146.11795	4.7
147.04419	4.0
149.05983	6.4
151.03929	4.0
152.06197	8.4
153.05455	31.7
153.06935	10.3
154.07707	4.4
155.08484	3.8
157.06474	5.7
159.04402	2.9
161.05968	19.5
163.03900	19.2
165.06903	11.0
167.03377	12.6
167.04759	4.0
167.07028	4.0
167.08499	4.5
168.05687	6.5
169.06479	7.2
170.07254	6.1
171.08076	6.0
173.06044	4.7
174.06631	3.3
175.07579	3.8
177.05495	34.5
179.03278	2.9
179.08495	3.3
180.06659	4.0
181.06470	29.0
182.07164	9.5
183.07993	9.0
184.05118	4.1
185.05933	5.2
186.12370	8.4
187.07585	5.5
189.05444	7.4
191.06984	6.4
193.06514	5.1
195.07961	11.0
196.05139	4.5
197.05974	10.8
197.09595	5.0
198.06709	26.3
199.07545	10.9
200.08337	5.4
200.18364	2.6
201.05481	12.2
202.06230	13.9
205.06628	3.5
207.08174	4.3
208.05177	3.4
209.05980	21.2
210.06715	13.5
211.07484	23.3
212.08275	6.5
212.16399	2.3
213.05482	12.5
213.09093	10.5
215.07118	4.1
221.06075	11.2
222.06689	4.3
223.07501	12.8
224.08250	8.3
225.05447	8.4
225.09010	11.6
226.06210	18.0
227.07056	18.0
228.07761	6.6
231.17712	3.0
234.06581	2.8
235.07573	6.8
236.04698	4.3
236.08151	3.5
236.83171	2.6
237.05423	15.3
238.06204	13.8
239.07008	31.3
240.07761	43.2
241.04961	7.0
241.08577	16.7
243.06516	9.6
249.05443	5.4
250.06238	4.1
251.06973	13.8
252.04170	3.5
252.07817	10.5
253.04970	4.0
253.08569	29.3
254.05696	5.6
255.06529	23.6
256.07343	22.9
257.08093	5.3
258.08777	3.3
259.09576	3.4
263.06982	3.4
264.07654	3.1
265.04953	3.5
266.05682	9.2
267.06497	23.9
267.10117	9.1
268.07300	65.5
269.08029	47.4
270.08755	10.7
271.06009	3.1
271.09579	6.9
279.06494	4.6
280.07187	6.6
281.08044	30.8
282.08820	7.7
283.05969	9.9
283.09601	7.1
284.06848	7.9
285.07846	4.7
285.11224	9.0
286.08270	4.8
287.09125	7.7
295.05957	6.4
295.09628	10.4
297.07614	14.1
298.08289	13.1
299.09125	92.4
300.09460	4.1
301.10706	6.8
308.06729	3.8
309.07480	11.2
310.08301	22.3
311.09033	5.7
313.10709	31.0
323.09171	5.0
326.07809	4.0
327.08609	56.1
328.08844	2.7
329.10150	63.7
330.10410	4.6
331.11694	3.8
341.10190	100.0
342.10342	4.3
359.11139	58.4
359.24371	4.4
360.11392	2.8
374.51022	2.2
375.45905	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	358.2699
Annotation	Ile Ile Leu
Peak:m/z	Relative Intensity
55.01870	0.2
55.05500	0.5
56.05028	0.2
67.05499	0.6
69.03423	0.2
69.07069	5.2
70.06587	1.8
71.06909	0.2
71.51234	0.4
72.08156	0.7
79.05489	0.6
81.07047	0.6
83.04975	0.5
84.04501	1.4
84.08140	0.9
86.06068	0.5
86.09705	100.0
87.10040	1.3
88.03983	0.3
89.03902	0.4
91.05455	1.1
93.03325	0.2
93.07023	0.4
95.04981	0.7
95.08611	0.3
97.01116	0.2
101.07172	0.3
102.05530	0.3
105.07010	0.7
107.04962	0.5
107.08566	0.3
110.07187	0.4
111.04423	0.7
114.09161	0.3
115.05458	0.4
116.10738	0.7
117.03403	1.1
117.06990	0.3
119.04914	0.4
119.08569	0.2
120.08102	0.4
121.06493	0.6
123.08045	0.4
123.11707	0.2
129.07031	0.2
129.10236	0.5
130.05067	0.3
131.04861	0.2
131.08582	0.2
132.01169	0.5
132.10190	0.9
133.02885	1.0
133.10097	0.2
134.06007	0.3
137.05989	1.4
138.06396	0.2
139.03870	0.4
142.08607	0.3
145.02859	2.2
145.06511	0.2
147.04381	0.3
149.05949	0.7
149.09583	0.4
149.25156	0.2
151.03923	0.3
151.11162	0.2
153.05428	0.3
158.11795	0.2
159.04361	0.2
161.05949	0.4
165.05423	0.3
166.08607	1.2
167.06987	0.5
173.04416	0.2
175.03830	0.2
177.05478	4.7
178.05858	0.2
181.06560	0.6
191.07144	0.3
192.06627	0.3
193.04935	0.6
195.08150	0.3
197.05983	0.3
198.06679	0.5
199.18054	34.0
200.18379	0.7
205.06781	0.5
210.06726	0.3
211.07484	0.3
225.09134	0.3
226.14420	0.5
227.17540	11.5
228.17882	0.4
237.05304	0.3
239.06863	0.3
240.07805	0.7
241.08553	0.3
244.15465	2.2
245.04634	0.5
245.18637	3.3
246.07867	0.3
253.08528	0.4
256.07254	0.3
266.05911	0.3
267.06534	0.3
268.07254	0.8
269.08081	0.5
276.15854	0.9
281.07986	0.7
287.09113	0.2
294.16907	0.4
297.07626	0.3
299.09122	1.7
313.10690	0.6
327.08640	0.8
329.10034	1.0
341.10117	1.4
358.12970	0.7
359.07291	0.3
359.11182	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	358.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
59.14307	0.3
62.34499	0.3
67.05496	0.4
69.03429	0.4
69.07069	1.0
70.06603	1.8
70.07134	0.5
72.08147	0.8
79.05487	0.8
81.03424	0.6
81.07055	0.8
84.04500	0.5
84.08148	0.8
85.02941	0.5
86.09706	100.0
87.10031	0.7
89.03934	0.5
91.05488	1.1
93.07028	0.8
95.04957	0.4
95.08620	0.5
105.07047	0.6
107.04971	0.4
107.08599	0.3
109.02869	0.4
109.10141	0.3
117.03396	1.9
117.07067	0.3
119.04916	0.5
121.06503	0.7
127.03955	0.4
129.10226	0.6
131.04919	0.4
132.04419	0.5
132.10210	1.3
133.02856	0.7
133.10179	0.4
135.04456	0.3
136.07613	0.3
137.05971	1.3
143.17543	0.3
145.02849	3.7
149.06000	0.8
150.96870	0.4
151.07561	1.0
158.97412	0.5
161.05969	0.3
163.03853	0.4
164.07045	0.3
166.08655	1.0
167.07132	0.4
172.03999	0.3
172.49069	0.3
177.05486	7.0
178.04936	0.6
192.06697	0.4
195.07642	0.3
199.18062	34.5
200.18417	0.8
204.06688	0.6
205.06969	0.6
206.07083	0.3
215.03722	0.5
227.17535	14.2
245.18588	5.5
257.04987	0.5
326.11066	0.7
347.93030	0.3
358.13708	1.0
358.20313	0.7
359.07745	0.4
359.11804	0.3
359.20319	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	358.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.01852	0.4
55.05505	0.7
56.05024	0.6
57.05797	0.2
60.04515	0.4
62.06097	0.3
67.05508	0.7
69.03442	0.4
69.07066	7.7
70.02976	0.3
70.06596	3.0
71.05003	0.3
71.13327	0.5
72.08153	1.7
74.06102	0.5
79.05492	0.7
81.03422	0.5
81.07038	0.7
83.04967	0.6
83.06099	0.3
84.04491	1.9
84.08138	1.5
85.02898	0.4
85.04869	0.3
86.06065	0.8
86.09705	100.0
87.10038	1.5
89.03890	0.5
91.05488	0.8
93.07042	0.5
95.04964	0.3
95.08598	0.3
97.06533	0.4
98.09681	0.4
101.06033	0.3
101.07168	0.3
102.05545	0.6
103.05443	0.3
105.07030	0.3
106.06532	0.3
107.04927	0.8
107.08585	0.4
109.02902	0.3
110.07130	0.7
111.04433	1.2
112.08769	0.4
116.04998	0.3
116.10728	0.9
117.03429	0.5
117.05350	0.3
119.04918	0.4
119.08659	0.3
120.08122	1.0
121.06499	0.4
121.10122	0.4
122.06033	0.4
123.04426	0.3
127.03938	0.6
129.06609	0.3
129.10242	0.9
130.05006	0.8
130.06471	0.3
131.04938	0.4
132.10231	1.0
133.02843	0.5
133.10155	0.3
135.04424	0.3
135.08047	0.3
136.07600	0.3
137.05981	1.2
138.03055	0.2
138.09180	0.3
139.03891	0.6
144.04474	0.8
145.02878	1.8
145.04764	0.8
145.10211	0.3
147.04387	0.4
149.06001	0.5
150.05466	0.4
153.05478	0.8
153.07043	0.2
155.14841	0.3
158.13083	0.2
161.06020	1.1
161.13255	0.3
162.05513	0.5
163.03885	1.0
163.07693	0.3
164.10675	0.3
165.05608	0.3
166.08646	0.5
167.03450	0.6
167.07109	0.5
172.03918	2.7
173.04300	3.0
175.07500	0.3
177.05473	3.5
178.05814	0.3
181.06531	0.7
181.08693	0.2
182.07254	0.3
183.07976	0.5
189.05377	0.3
190.04909	0.3
191.07057	1.5
191.10577	0.3
192.07460	0.5
193.07597	0.4
195.08025	0.3
198.06738	0.6
199.07634	0.3
199.18059	30.7
200.18361	0.6
201.12366	0.3
202.06343	0.3
204.06554	4.4
205.06880	4.8
208.13455	0.4
209.05983	0.6
210.06706	0.3
211.07533	0.5
212.16437	0.3
213.05655	0.3
221.05792	0.3
225.09085	0.5
226.06337	0.5
226.14435	1.1
227.06981	0.4
227.17546	10.9
228.17911	0.3
235.07587	0.3
237.05568	0.7
238.06296	0.3
239.07071	1.1
240.07822	1.0
241.05078	0.3
241.08630	0.6
244.15450	3.3
245.18626	3.8
251.06889	0.6
253.08609	0.8
255.06491	0.5
256.07404	0.7
266.05835	0.5
267.06567	0.6
267.10242	0.3
268.07303	2.1
269.08090	1.7
271.09647	0.3
279.06433	0.4
280.07281	0.3
281.08084	1.1
282.08820	0.3
283.06113	0.4
285.11273	0.3
297.07489	0.6
298.08505	0.5
299.09140	3.3
309.07446	0.4
310.08417	0.6
313.10757	1.2
315.14178	0.5
323.09207	0.3
326.11398	0.3
327.08527	1.2
329.10165	2.1
340.04706	0.6
340.21100	0.9
341.10144	3.1
358.05832	0.6
358.13589	0.5
359.13080	3.3
375.97037	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	358.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
55.05507	5.4
56.05023	0.8
57.05805	0.6
57.30147	0.4
60.04512	0.5
65.48441	0.5
67.05486	1.0
69.03445	0.6
69.07065	2.7
69.33591	1.4
69.34006	3.7
70.06599	3.9
71.05000	0.5
71.08607	0.6
72.08153	52.6
73.08492	0.5
79.05477	1.1
81.03449	0.6
81.07056	1.7
83.04975	0.8
83.08622	1.0
84.04494	1.4
84.08144	2.0
85.02895	1.3
86.09703	100.0
87.10033	1.4
91.05477	1.6
93.07059	1.1
94.06544	0.5
95.04964	0.8
95.08619	1.1
100.07628	0.6
101.05930	0.6
103.94524	0.5
105.07027	0.6
107.04984	0.7
107.08601	0.5
110.07175	1.1
111.04455	0.5
117.03362	0.6
119.04956	0.7
119.08584	0.8
120.08106	1.1
121.06530	1.0
129.10249	1.4
130.05029	0.8
131.05023	0.5
133.02834	0.9
133.10118	0.9
134.06000	0.6
136.07614	0.7
137.06013	3.9
145.02873	0.8
146.11752	24.3
147.11699	0.5
149.05997	1.5
161.06001	0.7
163.03862	0.6
163.07623	0.6
166.08655	1.4
172.03897	0.7
173.04274	1.2
177.05463	2.9
185.16489	44.5
186.16914	0.8
192.06572	0.8
196.17097	0.5
199.17972	0.6
204.06633	1.0
205.06926	1.0
213.15964	21.7
214.16226	0.8
214.18015	5.0
215.09506	0.8
235.07608	0.6
245.18628	3.7
258.32001	0.5
259.20340	1.4
263.67944	0.6
266.08960	0.6
296.85370	0.5
326.11304	0.7
358.13217	1.4
358.20251	2.3
359.15909	0.7
359.20294	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	358.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21320	0.2
51.32146	0.2
52.74383	0.2
53.03945	0.4
55.05511	0.5
56.05027	0.6
57.03445	0.3
60.04518	0.4
62.01572	0.2
63.02388	0.5
64.79305	0.2
67.05493	0.2
69.03413	0.6
69.07063	0.7
69.47005	1.5
70.06593	7.2
71.06928	0.5
72.08153	3.2
74.06091	0.3
75.46557	0.2
75.89778	0.2
78.04695	0.6
79.05479	0.6
80.59982	0.2
81.03418	0.5
81.07050	0.3
84.04497	2.2
84.08140	3.7
85.02909	1.3
86.09700	7.6
87.05589	0.3
87.10035	0.3
88.04005	0.4
89.03910	8.6
91.05457	2.3
93.07049	0.8
95.04965	0.7
97.02882	0.3
98.21481	0.4
101.07132	0.4
102.05540	0.7
103.05468	0.8
105.07046	0.5
106.04171	0.6
107.04958	0.6
107.08585	1.2
108.08110	0.3
108.30035	0.2
109.10173	0.3
110.06017	0.7
110.07164	1.7
112.08698	0.5
115.05441	1.0
115.08674	0.4
116.07101	0.3
116.29866	0.2
116.31880	0.2
117.03377	29.2
117.07009	0.4
118.03729	0.7
119.04938	1.0
120.08064	1.3
121.06493	1.6
123.04392	0.7
124.05200	0.6
127.08694	0.4
129.10242	2.1
130.05006	0.6
130.06487	0.3
130.08623	0.3
130.10551	0.3
131.04907	1.7
132.04413	0.3
133.02843	1.4
133.06448	0.2
133.10106	0.6
134.03600	2.4
134.06029	0.3
135.04396	2.3
136.07571	0.9
137.05975	1.9
137.09584	0.2
138.05482	0.3
143.04922	0.4
144.20178	0.3
145.02838	60.2
145.06522	1.0
146.03159	1.3
146.06010	0.4
147.04379	0.9
147.11429	0.3
148.06084	0.3
149.00497	0.3
149.04794	0.6
149.05974	9.7
150.05460	0.6
150.06584	0.3
151.03894	0.6
153.05452	1.2
158.05980	0.7
159.04414	1.4
159.09149	0.2
161.05894	0.5
162.03090	0.4
162.05486	0.5
162.06660	0.4
163.03903	2.9
164.07060	0.8
165.05504	0.3
166.06277	1.4
166.08604	0.7
167.03377	1.0
167.06995	0.5
170.05965	0.4
171.11320	0.3
173.05992	2.2
175.07564	0.9
177.05461	100.0
178.05981	2.4
179.03448	0.3
179.10703	0.5
181.08585	2.5
182.08183	0.6
182.54291	0.3
185.16397	0.4
186.05490	2.2
190.04929	0.4
191.05585	0.4
191.07051	0.9
193.05019	0.4
196.06024	0.5
196.09680	0.5
197.11667	2.0
204.06380	0.3
206.08154	0.4
208.06111	0.3
222.07584	0.4
234.07585	4.0
284.36591	0.2
305.16193	0.3
323.09296	0.3
326.08356	0.8
340.09674	0.3
358.12863	6.2
358.16528	0.7
358.20056	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	358.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00689	0.2
55.01871	0.2
55.05491	0.4
56.05017	0.4
57.03415	0.2
63.02365	0.4
67.05493	0.3
69.07044	0.6
70.06592	3.1
71.51007	0.3
72.08139	1.3
72.61828	0.2
78.04704	0.4
79.05473	0.5
81.03400	0.3
84.04497	0.8
84.08153	2.0
85.02897	0.4
86.09700	2.9
89.03912	8.4
91.05459	1.6
93.07055	0.6
95.04968	0.6
97.06577	0.2
102.05515	0.2
103.05449	0.9
105.07027	0.3
106.04148	0.6
107.04958	0.4
109.06538	0.4
110.06004	0.3
110.07153	0.7
115.05422	1.1
117.03376	28.0
117.07006	0.5
118.03716	0.5
119.04926	0.6
120.08109	0.9
121.06491	0.8
122.09676	0.3
125.05947	0.2
129.10254	0.8
130.05038	0.3
130.06531	0.4
130.08640	0.8
131.04938	0.9
133.02837	0.6
134.03593	1.8
134.06053	0.4
135.04413	1.7
136.07553	0.3
137.05946	1.3
139.03903	0.3
143.04906	0.6
144.04381	0.3
145.02841	58.8
145.06512	0.9
145.10136	0.3
146.03174	1.2
147.04433	0.5
148.03819	0.3
149.05983	8.4
150.05405	0.3
151.03923	0.5
153.05493	1.4
158.06075	0.5
159.04422	1.8
160.05200	0.3
161.05994	0.3
162.03098	0.4
162.05489	0.7
163.03897	0.9
163.07579	0.3
166.08630	0.5
167.03392	0.6
167.07159	0.3
172.03882	0.4
173.04567	0.4
173.05957	2.0
175.03809	0.2
175.07527	1.0
177.05463	100.0
178.05809	2.1
186.05495	1.9
189.05473	0.3
190.05013	0.4
191.07040	1.2
192.06474	0.3
204.06511	0.4
205.06950	0.8
206.08293	0.3
207.06561	0.5
208.05978	0.6
218.08012	0.3
220.05724	0.2
223.07434	0.3
234.07637	4.5
235.07655	0.5
249.12349	0.3
329.10406	0.3
341.10416	0.5
357.83429	0.3
358.12885	8.2
359.13235	0.7
361.14926	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	358.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63986	0.4
55.01863	0.5
56.05031	2.0
57.05815	5.9
58.06601	3.3
60.04531	0.4
65.03944	0.5
65.36658	0.5
68.05027	0.6
68.99761	0.7
69.03429	0.6
70.06588	5.4
71.57619	0.5
72.08138	1.4
79.05466	1.1
80.05012	0.5
81.03396	1.0
82.06583	0.5
84.04487	1.5
84.08140	4.7
85.02895	1.1
85.08475	0.8
86.06059	0.5
86.09731	2.0
91.05466	0.9
92.04997	1.0
94.06582	1.0
95.04945	0.7
96.04483	0.9
97.02895	0.5
107.04946	13.9
108.05329	0.4
109.02888	2.9
110.06036	10.1
110.07201	1.2
111.04412	0.5
116.07124	0.5
119.04884	0.9
120.04455	2.5
120.08089	5.5
122.05998	0.8
123.04402	1.5
124.03954	2.3
125.05992	0.5
127.03905	0.9
129.01819	0.7
129.10190	2.4
133.05173	1.2
134.05981	0.9
135.04408	9.1
136.07573	0.4
137.05933	2.0
138.05472	3.2
139.00256	0.7
148.03928	1.1
148.07544	4.0
150.05492	1.2
151.06271	7.0
152.07022	1.0
153.05449	1.6
155.03389	1.3
163.03899	0.4
166.05008	4.5
166.08629	100.0
166.91071	0.4
167.05736	0.7
167.08946	2.8
178.04842	0.5
196.09779	0.6
197.12868	0.6
285.57407	0.4
358.11169	1.5
358.14896	1.0
358.25443	0.7
359.12381	0.7
359.23788	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03929	3.1
55.01859	3.6
55.05511	69.4
57.03439	16.6
57.07077	42.0
59.39504	2.1
67.05502	72.0
68.12524	2.3
69.07068	100.0
70.06584	3.3
70.14262	9.9
71.04984	4.9
71.08636	29.6
71.33017	2.3
75.04438	3.2
79.05495	48.8
81.07050	85.4
81.07534	4.2
83.04976	2.4
83.08618	68.0
85.06557	4.9
85.10179	14.7
88.07612	4.5
91.05472	7.6
93.06497	4.6
93.07044	66.5
95.08610	85.8
97.06519	34.0
97.10162	47.6
98.20837	2.6
99.08105	3.9
103.03915	3.8
105.07043	3.8
107.08591	48.2
109.10150	44.1
111.08099	13.7
111.11700	17.5
115.07571	3.9
121.10140	89.9
123.04452	7.8
123.11723	17.9
125.09615	6.1
125.13251	5.2
129.05440	2.7
133.10130	2.8
135.11679	73.3
137.13219	4.3
139.11147	5.2
149.13248	31.8
151.14758	8.8
153.12691	3.1
163.14848	13.5
165.16399	8.7
167.14278	3.6
177.16406	7.4
191.17947	8.4
195.17525	3.1
247.24210	73.4
248.24432	3.5
264.26990	2.8
265.25241	64.0
283.26343	6.7
320.37399	2.5
339.28952	49.9
357.29941	8.7
357.35480	20.8
358.36792	10.1
373.08652	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	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	53.2
57.03421	13.3
57.07064	29.7
57.46587	13.0
60.12926	13.8
67.05499	80.8
69.07069	79.5
69.24727	78.9
69.25156	62.6
71.04950	12.0
71.08639	28.4
74.29474	11.4
79.05474	53.1
81.07040	78.7
83.08603	59.3
85.10138	14.3
93.07028	59.5
95.08603	100.0
97.06509	29.3
97.10148	46.9
98.20791	27.3
103.03883	16.3
107.08563	44.1
109.10135	50.0
121.10139	93.4
135.11668	76.2
149.13278	32.3
247.24152	87.4
255.10506	11.6
264.51205	12.7
265.25223	60.4
294.37198	13.5
300.38245	12.5
339.28830	55.2
358.28839	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.01849	4.6
55.05504	53.7
56.48425	4.7
57.03419	11.2
57.07073	51.7
57.21655	4.1
67.05506	55.8
69.06734	6.6
69.07068	100.0
71.04986	6.5
71.08634	29.6
71.32430	5.9
71.32752	7.2
75.04430	4.8
79.05489	47.1
81.07054	80.0
83.04977	5.3
83.08613	60.3
85.06518	7.6
85.10168	17.9
91.05432	6.7
93.07039	57.7
95.08595	76.1
96.24638	4.3
97.06513	30.5
97.10155	46.6
97.13361	4.6
103.03883	5.8
107.08577	44.4
109.10143	44.0
111.08068	15.3
111.11713	16.3
111.50332	4.7
115.82673	4.5
121.10136	87.2
123.11710	19.1
125.09561	6.6
135.11690	68.3
137.13251	5.4
139.11198	6.7
149.13263	33.4
151.14821	5.9
153.12752	7.3
163.14798	14.7
165.16396	7.5
167.14291	6.5
177.16353	6.7
191.17984	7.6
205.19470	5.8
247.24203	90.3
248.24620	4.8
265.25287	79.4
266.25577	5.6
334.12225	4.9
339.28970	48.2
357.30396	9.8
374.38028	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	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54234	1.3
53.03946	1.7
55.05509	35.3
56.05831	1.7
57.03421	5.9
57.06833	2.0
57.07074	23.3
65.03896	1.7
67.05181	2.5
67.05504	34.2
69.07067	50.6
70.06588	10.9
70.07379	1.8
70.79667	3.6
71.04970	1.9
71.06909	3.1
71.08633	11.5
79.05490	21.4
81.07053	40.5
83.04987	1.6
83.08615	29.0
85.10172	6.6
88.07617	12.7
89.08005	2.3
91.05482	3.3
93.07040	27.9
95.08603	36.7
97.06528	16.6
97.10171	22.8
102.09193	2.9
103.03918	2.5
106.08656	5.2
107.08587	26.7
109.10149	21.3
111.08070	6.3
111.11707	6.6
115.65421	1.4
121.10139	42.2
123.11707	8.2
125.09623	4.0
129.05478	2.4
135.10698	2.7
135.11685	40.8
137.13307	1.8
139.11163	2.8
149.13251	15.2
151.14825	4.0
163.14777	4.5
165.16405	2.9
169.15620	1.5
177.16341	3.9
181.15866	2.6
191.17949	2.7
247.24219	38.8
265.25244	33.7
268.50125	1.5
313.18243	1.6
339.28946	18.4
339.34479	5.2
357.30701	4.0
357.35532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05494	0.4
58.06586	0.4
60.21843	0.2
62.59851	0.3
63.80540	0.2
65.03939	0.9
67.05503	0.7
67.96211	0.3
69.03423	0.6
69.07064	0.5
70.03745	0.4
70.04134	0.7
70.06593	2.6
71.04980	0.3
72.08144	0.7
79.05489	0.5
81.07043	0.9
84.04498	0.9
84.08143	0.9
86.09700	3.2
87.48896	0.2
89.03906	2.6
91.05480	1.0
93.07042	0.9
94.06560	0.3
95.05003	0.2
95.06104	0.3
95.07319	0.3
95.08607	0.5
96.08121	0.7
97.06483	0.3
101.07100	0.3
103.05463	0.6
105.06971	0.4
107.04939	0.4
108.08105	1.1
109.10181	0.5
110.07140	0.5
110.09675	1.7
116.04976	9.9
116.41604	0.2
117.03284	0.2
119.04926	0.5
119.08543	0.4
120.08116	1.6
121.06513	0.5
121.10126	0.3
122.06008	2.0
129.10226	0.6
130.05013	0.5
131.76831	0.2
132.04478	0.4
132.05635	0.2
133.02803	0.4
134.05997	1.1
135.04420	0.4
135.11629	0.3
136.07567	2.1
137.05988	1.4
138.09167	1.2
144.04439	18.0
145.04845	0.4
146.05980	0.6
147.04393	0.2
148.07507	0.5
151.03859	0.4
153.05345	0.2
161.05959	0.3
162.05502	7.5
163.03831	0.3
163.07494	0.5
164.07907	0.4
166.08641	2.8
167.07031	0.6
172.03925	66.0
173.04276	1.7
174.05522	0.5
175.07555	0.3
177.05424	0.7
189.04256	0.3
190.04974	0.7
191.07025	1.6
192.07381	1.9
204.06551	100.0
205.06886	3.1
219.08249	0.3
230.91408	0.3
235.07648	0.4
237.09151	0.3
253.08440	0.3
269.12900	0.3
293.08240	0.3
295.09610	0.4
297.11371	0.3
312.08789	0.3
325.11261	0.6
327.12164	0.5
329.14417	0.3
339.04279	0.8
339.13300	0.9
357.05338	0.6
357.09686	0.3
357.14526	1.4
357.18506	0.3
372.75827	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	357.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05505	0.2
53.01049	0.2
55.01886	0.3
55.05505	0.3
56.05035	0.3
57.07079	0.2
65.02780	0.2
65.03950	0.8
66.63357	0.2
67.05489	0.5
69.03416	0.2
69.07065	0.4
70.06588	3.0
71.51564	0.2
71.51963	0.3
72.08142	0.8
79.05496	0.9
81.03430	0.4
81.07057	0.8
81.36850	0.2
84.04492	0.6
84.08152	1.1
86.09702	3.1
89.03912	1.9
91.05416	1.0
92.05001	0.3
93.07034	0.7
94.06577	0.5
95.04977	0.4
95.07336	0.4
95.08601	0.3
96.08128	0.9
97.06512	0.2
103.05447	0.4
103.74778	0.2
105.07027	0.4
107.04974	0.5
107.08559	0.3
108.08127	1.7
110.07169	0.3
110.09674	1.4
111.04464	0.3
115.05446	0.3
116.04976	8.0
118.06492	0.3
119.04953	0.2
120.08099	1.6
121.06504	0.2
122.06011	2.1
123.04424	0.3
127.03957	0.3
129.10234	0.9
130.05022	0.3
131.04903	0.3
131.08534	0.2
132.04431	0.3
133.02849	0.2
134.06021	1.0
135.04424	0.2
136.07588	3.8
137.05980	1.8
138.09119	1.4
144.04443	16.8
145.02858	0.6
146.06001	2.0
147.07640	0.3
148.03935	0.8
148.07555	0.7
149.05937	0.3
151.03854	0.6
151.07632	0.3
152.07115	0.3
153.05551	0.2
161.05946	0.2
162.05507	7.4
163.03822	0.3
164.07111	0.3
166.04999	0.4
166.08656	2.4
167.07074	0.7
172.03926	60.4
173.04295	1.3
173.05632	0.2
174.05498	0.5
176.06999	0.2
177.05481	1.0
190.05014	0.8
191.06973	0.2
196.09875	0.3
203.07149	0.2
204.06551	100.0
205.06892	2.6
206.08153	0.2
219.08076	0.2
235.07512	0.3
247.07509	0.3
255.11282	0.2
257.12994	0.2
264.07870	0.2
267.10315	0.2
269.12613	0.3
279.10687	0.3
283.10791	1.2
293.08069	0.2
295.09741	0.3
297.11896	0.5
307.09857	0.3
309.11349	0.2
311.13736	0.2
325.11417	1.1
327.12164	0.6
329.14938	0.4
339.13019	0.9
357.10190	0.3
357.14322	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	357.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
55.34067	0.3
65.03946	1.0
67.05498	0.7
67.54922	0.2
69.03428	0.4
69.07052	0.4
70.06593	1.7
71.57719	0.3
71.58120	0.3
72.08147	0.6
79.05495	0.8
80.72910	0.2
81.03420	0.3
81.07053	1.0
83.06101	0.3
84.04518	0.5
84.08151	0.8
85.02924	0.3
86.09714	1.6
89.03925	2.4
90.41114	0.2
91.05457	0.6
93.05781	0.2
93.07038	1.1
94.06565	1.4
95.04961	0.8
95.07353	0.5
95.08651	0.4
96.08129	0.8
103.05436	0.4
105.07039	0.5
107.04944	0.4
107.07354	0.2
107.08604	0.3
108.08092	2.0
109.02900	0.4
109.06621	0.2
110.07204	0.3
110.09700	1.2
111.04456	0.3
115.05466	0.6
116.04980	8.6
117.03384	0.9
117.07066	0.3
119.04932	0.3
119.08599	0.3
120.04477	0.4
120.08106	1.4
121.06498	0.6
121.10173	0.3
122.03625	0.3
122.06020	2.5
123.11722	0.2
124.07613	0.4
129.06589	0.4
129.10237	0.4
132.04480	0.3
134.06013	1.1
135.04437	0.4
136.07579	3.3
137.05991	2.5
138.09158	1.3
143.04921	0.4
144.04443	18.1
145.02821	2.1
145.04759	0.4
145.06482	0.3
146.06039	1.9
148.07556	0.5
149.05989	0.8
151.03900	0.6
153.05374	0.2
154.08612	0.8
156.33623	0.3
161.05974	0.3
162.05498	7.1
164.04626	0.2
164.07137	0.3
165.70688	0.2
166.08630	2.1
167.07053	0.9
172.03935	62.7
173.04327	1.6
174.05495	0.6
175.07492	0.4
177.04070	0.4
177.05475	4.5
180.04747	0.2
181.04987	0.4
181.06454	0.3
185.16537	0.3
189.04268	0.4
190.04971	0.6
191.06969	0.3
192.06548	0.3
203.07063	0.8
204.06560	100.0
205.06885	2.7
208.06010	0.2
209.05696	0.2
213.04324	0.2
213.16130	0.2
218.07321	0.3
219.08009	0.3
220.09543	0.3
221.06207	0.3
222.03944	0.3
222.06624	0.4
235.07545	0.3
236.09276	0.3
249.05312	0.3
250.06511	0.3
251.11612	0.3
264.08081	0.3
265.08490	0.4
266.10501	0.4
269.09198	0.3
269.12592	0.3
279.10541	0.3
281.08212	0.3
281.12717	0.3
295.09698	0.4
297.07712	0.8
297.11752	0.7
301.11130	0.3
302.06818	0.3
307.09708	0.5
311.07361	0.4
311.13403	0.3
320.11081	0.3
325.11328	1.6
329.14868	0.5
333.10147	0.3
339.13239	0.8
343.13025	0.3
357.14075	3.8
376.78760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.05508	0.3
57.03431	0.2
63.02383	0.2
65.03947	0.8
67.05502	0.7
69.03417	0.2
69.07076	0.4
70.06596	1.1
71.55215	0.2
72.08140	0.3
73.47610	0.2
79.05484	0.4
81.03412	0.5
81.07063	0.6
82.49165	0.2
84.04487	0.4
84.08141	0.5
85.02932	0.2
86.09692	0.8
89.03919	2.9
91.05439	0.9
92.04974	0.3
93.07053	0.9
94.06564	0.7
95.04960	0.4
95.07355	0.6
95.08627	0.4
96.08148	1.0
97.02891	0.5
97.06520	0.4
103.05460	0.5
105.07015	0.5
106.06539	0.3
107.04962	0.3
107.08604	0.5
108.08099	1.0
109.02869	0.5
109.06524	0.2
109.10165	0.3
110.07187	0.2
110.09680	1.4
115.05438	0.3
116.04977	13.1
117.03365	0.2
119.08600	0.2
120.08091	1.6
121.06512	0.5
121.10117	0.2
122.06040	2.3
124.07600	0.2
126.67705	0.2
127.03938	0.4
130.05042	0.3
131.04910	0.3
131.39828	0.2
132.04424	0.4
133.02820	0.2
133.05229	0.2
133.06508	0.2
133.10153	0.3
134.06026	1.2
136.07585	2.0
137.05969	2.0
138.09135	1.5
143.04941	0.3
144.04442	22.5
145.05063	0.3
146.05966	0.9
148.03969	0.3
148.07590	0.6
149.05978	0.3
149.13327	0.2
151.03893	0.4
151.07631	0.2
152.06976	0.2
153.05432	0.2
160.03920	0.2
161.04712	0.2
161.05988	0.5
162.05498	8.7
163.07617	0.2
166.08640	2.1
167.07054	0.5
172.03928	70.5
173.04301	1.3
173.05782	0.3
174.05551	0.4
175.07526	0.2
176.07079	0.2
177.05486	0.4
189.04147	0.4
190.04948	0.7
191.07123	0.4
191.08711	0.2
192.07318	0.5
203.07039	0.3
204.06555	100.0
205.06895	2.5
210.40117	0.2
219.08147	0.2
233.05872	0.2
235.07356	0.3
247.07629	0.3
250.06245	0.2
251.11815	0.2
265.08600	0.4
267.73047	0.2
279.10458	0.3
283.10651	0.7
297.11880	0.3
307.09567	0.3
320.61655	0.2
325.11053	0.7
329.14349	0.5
339.13065	0.6
357.14191	2.8
368.26791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.352
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
50.03822	0.3
55.05509	9.5
57.07078	1.7
58.06584	0.6
62.06073	0.4
67.42074	0.3
69.07066	7.8
70.06590	13.3
70.22230	0.3
71.08611	0.8
71.32166	0.7
82.61959	0.3
83.08610	3.4
85.59452	0.3
88.07624	16.5
97.10134	1.5
101.35024	0.3
102.09180	4.2
106.08664	8.8
168.80743	0.4
243.38123	0.3
312.32608	0.9
338.30344	0.4
338.34183	6.4
339.34616	0.4
356.35205	100.0
357.35565	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	357.1331
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
52.84230	1.8
53.03956	3.5
55.01862	3.3
55.05519	4.8
56.05046	4.2
57.03434	4.2
60.04526	3.3
65.03928	2.3
67.05515	3.3
69.03418	3.8
69.07068	5.1
69.44717	5.6
69.45129	9.1
70.06592	78.0
71.05014	2.5
71.06921	2.5
72.08154	29.5
73.04744	2.2
74.06062	2.8
79.05504	8.7
81.03412	3.4
81.07060	4.2
83.04980	2.2
83.06118	2.8
84.04504	13.4
84.08138	49.0
85.02907	3.7
86.09705	82.2
87.05634	2.5
87.10067	5.9
88.04018	3.7
89.03951	2.9
91.05436	14.1
93.07088	2.9
93.46025	2.0
94.04198	5.7
95.05001	6.4
97.02905	4.0
102.05569	4.0
103.05440	9.1
104.07118	2.4
105.07069	7.7
106.04247	3.1
106.07350	2.1
107.04952	15.9
109.02890	3.4
109.06594	2.9
110.07160	14.8
111.04450	2.9
112.08777	3.2
112.11256	2.5
115.05455	15.2
116.05018	2.3
116.07128	5.9
117.03394	6.2
117.07004	10.6
118.04202	4.2
119.04989	5.7
119.08546	2.0
120.08070	9.9
121.06511	8.8
121.57156	2.0
122.03678	8.5
123.04485	5.4
124.05231	3.9
125.06006	3.2
127.03958	3.7
128.06261	2.0
129.07030	1.9
129.10233	30.5
129.11116	2.2
130.04146	2.5
130.08699	3.6
131.04904	15.2
132.04459	2.0
132.05704	2.2
133.02893	2.4
133.06441	3.6
134.06075	2.4
135.04437	6.7
136.07629	7.3
137.05977	100.0
141.10313	2.3
143.04984	7.3
143.11784	2.4
144.04485	4.3
144.05659	2.4
145.02910	5.8
145.06479	20.5
145.07335	1.8
146.03624	6.6
147.04457	10.1
147.07982	2.7
147.11282	3.0
149.06001	12.6
150.05574	3.0
151.03928	4.9
151.07567	3.4
152.07068	2.2
153.05513	5.4
153.07016	2.1
155.04922	4.5
159.04443	2.3
160.05180	9.4
161.05975	43.1
161.12901	1.9
162.05537	3.3
163.03947	11.3
163.07602	3.0
165.05562	4.1
165.07019	8.9
166.06442	2.1
166.07828	5.9
167.07047	36.2
167.08409	4.5
171.04532	5.4
172.04007	15.0
172.05272	3.5
173.06061	8.0
173.12875	2.1
174.06779	4.6
175.07542	35.4
176.04761	4.2
177.05539	13.9
177.06905	3.3
177.09151	4.9
178.07887	5.4
179.08612	6.3
181.06447	10.1
181.10066	2.4
183.04492	3.7
183.08046	2.2
183.15012	3.8
187.07481	15.0
188.04674	2.3
189.05539	3.3
189.07104	6.1
190.07854	6.8
191.07088	24.3
191.08638	16.6
193.06485	4.6
194.07275	15.3
195.08093	7.3
196.08771	2.2
199.18129	2.9
202.07854	2.1
203.07071	17.6
204.06558	26.9
204.08208	2.4
205.06602	14.3
205.08499	3.8
206.07230	3.1
207.08035	12.8
208.08849	5.8
209.06079	3.7
209.09715	5.7
210.06839	2.8
211.07581	6.1
213.08994	2.5
215.07193	8.1
217.06636	2.3
218.07214	10.2
219.08064	26.0
219.10104	2.2
221.05919	11.6
222.06714	10.2
223.07516	10.6
224.08427	5.3
225.09218	3.3
233.06036	7.0
233.08229	24.3
234.06699	10.0
235.07504	21.7
235.09413	2.0
236.04794	2.2
236.08340	10.3
237.05637	7.5
237.06824	2.0
237.09096	22.3
238.09848	3.3
239.07153	5.6
239.10709	2.3
240.07903	3.6
241.08647	4.8
242.18634	3.2
246.06880	3.4
247.07590	21.1
248.08243	4.5
249.05598	6.2
249.09274	8.7
250.06146	12.0
251.07040	12.2
251.10654	10.2
252.07928	6.8
253.08458	8.9
254.09393	6.4
261.09189	3.9
263.06955	10.5
264.07721	15.7
265.08566	38.9
266.09424	4.4
267.06882	4.2
267.10306	14.7
268.07376	3.2
269.08228	18.5
269.11893	2.9
275.07178	7.6
276.07919	2.5
277.08612	10.0
278.09534	7.0
279.07059	4.1
279.10095	25.8
279.12598	2.2
280.10715	2.0
281.08105	9.4
282.08926	8.6
283.09802	7.7
284.10361	20.7
289.08719	4.0
292.07507	6.8
293.08038	17.0
294.08963	5.5
295.06818	2.4
295.09473	10.4
296.10614	5.1
297.07828	4.4
297.11194	64.2
298.11453	5.9
299.09317	4.3
299.12793	2.3
301.18787	1.9
306.09027	4.7
307.09637	31.7
308.10489	2.7
309.07788	6.3
309.11240	2.9
310.12042	4.4
311.09528	3.5
311.12683	15.9
312.09628	2.5
312.12866	2.4
314.11539	4.3
321.11447	5.7
324.10013	12.3
325.06995	3.1
325.10703	49.6
325.14310	2.7
326.11337	6.4
327.12344	6.1
329.14078	2.5
339.12305	43.8
340.12521	4.0
357.13531	74.1
358.13748	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	356.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.2
57.07062	1.9
58.06575	0.8
67.05497	0.8
69.07066	8.5
69.43823	3.0
69.44252	2.0
70.06590	13.6
70.54539	0.6
71.08629	0.7
81.07042	1.0
83.08631	4.3
88.07632	17.0
97.10148	1.9
98.20776	1.3
102.09159	4.1
106.08656	8.0
113.87193	0.6
175.71204	0.6
197.13281	0.5
246.56290	0.6
260.39169	0.6
315.60361	0.5
338.34186	6.8
349.89133	0.6
356.35205	100.0
357.35498	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03933	4.7
55.01858	3.6
55.05509	36.0
57.03419	8.4
57.07075	14.5
67.05505	74.4
69.07065	47.6
70.22870	4.7
70.23254	4.4
71.04977	3.9
71.08618	6.1
76.71255	1.9
79.05483	24.9
81.07054	100.0
83.04938	2.2
83.08617	32.5
85.06546	3.9
85.10120	2.5
87.11956	1.9
91.05447	13.7
93.07048	29.0
95.04961	2.3
95.07992	4.1
95.08604	83.9
97.06530	10.7
97.10170	20.4
98.20855	2.3
99.08089	3.6
103.03955	2.3
105.07018	11.4
107.08579	21.9
109.10145	48.9
111.08052	6.7
111.11719	10.4
119.08602	16.4
121.10146	28.9
122.10343	2.4
123.08058	2.1
123.11702	21.1
125.09610	2.6
129.05472	3.2
133.10101	16.8
135.11693	15.6
137.09648	2.2
137.13246	10.9
141.12717	2.8
147.11659	14.3
149.13239	17.0
151.11130	3.4
151.14799	6.6
161.13275	16.3
163.14835	15.4
165.16362	5.8
175.14774	12.5
177.16370	3.8
179.17931	3.9
183.21828	2.1
189.16394	5.3
203.17862	1.7
217.19559	2.6
223.64095	2.0
245.22638	48.7
246.23024	1.8
263.23672	49.3
264.24026	3.0
337.27328	32.0
338.27563	2.9
355.28320	23.9
364.49347	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	34.8
57.03427	7.4
57.07068	11.5
67.05147	4.6
67.05504	83.8
69.07067	48.8
69.41228	3.3
70.97984	3.9
70.98319	5.7
71.08627	7.2
75.76138	3.1
79.05483	25.5
81.07057	100.0
82.07400	3.4
82.20399	3.2
83.08622	33.3
85.06516	4.9
85.10161	4.2
89.68690	2.9
91.05437	21.7
93.07052	31.3
95.08608	80.7
97.06565	11.1
97.10155	20.1
98.21462	3.4
105.07032	12.8
107.08591	24.4
109.10156	44.5
111.11717	7.0
119.08590	16.8
121.10149	31.8
123.11691	25.1
131.33803	2.9
133.09232	3.0
133.10147	20.4
135.11691	15.9
137.09599	3.5
137.13303	6.7
147.11711	15.4
149.13245	13.6
151.14792	8.4
161.13275	16.4
163.14819	11.6
165.16400	6.4
175.14838	12.4
177.16354	3.2
179.17995	5.0
189.16399	5.7
193.15773	3.9
203.17853	3.2
245.22668	54.4
263.23679	46.3
263.26309	5.0
264.24115	3.5
337.27460	28.2
355.28238	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.89175	1.5
55.01855	2.0
55.05508	43.6
57.03431	13.4
57.07073	16.2
61.68612	1.5
65.03929	3.3
67.05501	83.1
68.05856	1.9
69.06683	2.8
69.07064	58.7
70.28511	6.8
71.04977	3.0
71.08633	8.4
78.63246	1.4
79.05494	27.7
79.72880	1.5
81.07052	100.0
82.07399	1.6
83.04982	2.3
83.08615	37.9
85.06542	3.0
85.10196	2.6
91.05456	18.1
93.07043	33.6
94.07413	2.0
95.04965	2.2
95.08598	78.9
97.06539	11.4
97.10175	24.6
99.08081	3.0
103.03928	3.2
104.90160	1.4
105.07023	13.4
107.08593	23.7
109.06519	2.1
109.10150	46.9
111.08064	5.0
111.11695	7.1
119.08582	13.9
121.10148	27.1
123.11700	20.6
125.09551	2.3
125.13226	1.7
129.05498	2.7
133.10100	16.0
135.11685	14.2
137.09645	2.6
137.13268	8.3
139.11139	2.3
147.11707	13.0
149.13252	14.6
151.11153	2.0
151.14803	6.8
161.13263	11.2
163.14828	12.5
165.12698	2.0
165.16380	4.4
167.14345	2.3
175.14795	10.9
177.16386	3.7
179.17949	3.1
181.15804	2.8
189.16389	4.6
191.17911	1.8
198.32439	1.7
201.90576	1.6
203.18011	2.2
245.22664	38.2
263.23697	42.6
264.24036	2.6
285.00916	2.9
337.27313	27.3
355.28375	24.6
355.33929	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03940	2.7
55.01850	2.0
55.05513	39.0
57.03426	9.7
57.07072	16.7
58.96110	1.8
65.03922	3.1
65.94620	1.6
67.05504	85.2
69.07068	44.4
69.36282	16.7
69.36694	4.7
71.04975	3.3
71.08617	5.8
75.04473	2.0
79.05068	3.5
79.05489	30.1
81.07055	100.0
82.07407	2.3
83.04982	2.4
83.08618	39.3
85.06538	3.1
85.10165	1.6
91.05447	22.3
93.07043	32.4
95.04942	2.3
95.08605	90.0
97.06548	10.0
97.10168	22.9
99.08112	3.2
105.07043	13.7
107.08595	21.1
109.06479	2.7
109.10156	46.2
111.08074	5.0
111.11703	8.5
113.09613	3.8
119.08572	16.0
121.10142	32.2
122.63575	2.0
123.11700	25.4
125.09659	2.3
126.15337	2.1
129.05481	2.6
133.10146	21.8
135.05898	1.7
135.11690	17.2
137.13231	8.8
139.11130	3.4
141.12743	4.1
147.11693	14.2
149.13216	12.5
151.14801	6.1
161.13261	15.8
162.62001	1.8
163.14848	16.6
165.12796	2.3
165.16417	7.7
175.14804	13.5
177.16380	2.6
179.14319	2.2
179.17915	5.2
181.15883	1.8
189.16360	5.7
203.17923	1.9
245.22653	49.4
245.25020	3.9
263.23679	46.8
264.24109	2.9
295.30426	2.3
337.27374	27.1
355.24527	2.1
355.28430	8.1
356.35190	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	38.9
57.03423	11.9
57.07070	19.0
65.03915	3.0
67.05502	83.2
69.06732	4.4
69.07067	50.3
70.06593	7.6
70.34656	6.2
71.08627	7.0
72.08147	5.1
73.04748	2.6
79.05061	3.7
79.05488	30.7
81.07052	100.0
83.08614	37.2
85.06541	4.8
85.10156	10.1
88.07614	7.3
91.05405	21.4
93.07034	36.3
95.04993	3.7
95.08601	96.1
97.06526	12.5
97.10159	29.8
99.08096	4.2
101.61829	3.1
105.07024	16.0
106.08675	4.5
107.08567	23.5
109.06509	3.0
109.10149	46.5
109.77524	3.5
111.08030	5.1
111.11710	13.1
113.09608	4.1
113.56601	2.8
119.08589	17.6
121.10146	36.1
122.08377	2.6
123.11687	26.8
125.13270	2.6
131.08597	3.4
133.10129	24.4
135.11688	26.0
137.09547	4.0
137.13252	12.8
147.11655	16.9
149.13263	16.4
150.09731	2.8
151.11134	3.6
151.14735	6.7
155.14310	3.2
161.13254	15.0
163.14830	14.1
165.12694	3.7
165.16396	14.2
172.36665	3.0
175.14749	15.3
177.16394	4.8
179.14351	4.3
179.17908	4.5
181.15909	3.3
189.16408	8.9
197.06296	3.8
197.59300	2.9
203.17935	3.0
245.22644	57.7
246.22968	3.3
263.23676	52.8
264.23911	2.7
285.00961	3.2
337.27359	32.9
338.34103	5.3
355.07321	4.0
355.11359	3.2
355.28339	10.4
355.37344	4.2
356.35187	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	355.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05490	0.8
59.30678	0.6
67.04255	0.8
67.05506	2.9
69.03399	0.6
70.06572	1.9
71.03178	1.3
72.08146	0.7
72.91694	0.5
73.04758	5.7
79.05499	0.8
81.07057	0.8
82.06158	0.7
82.06576	5.2
84.04490	1.0
84.08144	1.2
85.02901	0.8
86.09693	0.7
89.03913	2.0
91.05806	17.2
95.04919	0.9
96.04482	0.8
97.02882	0.8
98.06046	1.3
98.97573	1.4
103.80615	0.5
105.04469	0.5
107.04955	1.2
108.08089	1.0
110.06029	18.8
110.07159	0.8
114.07381	1.1
117.03371	3.9
120.08095	1.1
123.04410	0.9
124.07576	0.7
126.05508	8.4
128.07068	1.6
128.98587	1.4
129.10217	1.2
135.04420	6.7
136.07567	54.2
137.05998	1.2
137.07872	1.1
138.05496	3.0
140.07059	1.0
145.02847	4.5
152.07024	3.3
156.06572	0.7
163.03894	37.7
164.07056	100.0
165.07416	2.0
179.00133	0.7
182.08121	70.3
183.08421	0.9
197.01180	0.8
198.09142	1.4
206.05600	0.8
211.15376	0.5
214.08650	0.8
216.10242	0.7
219.01703	0.9
230.08003	1.1
237.02785	1.1
256.04993	0.6
256.09647	0.9
259.10812	1.8
260.09235	0.6
268.97818	3.9
274.10770	0.6
276.08789	0.7
285.00998	6.4
301.11890	1.1
302.10281	3.2
303.01923	1.3
319.12872	5.5
320.11301	2.2
337.13913	2.0
338.12424	0.8
355.06985	8.0
355.14764	0.9
356.07010	1.4
373.08017	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	355.1021
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.70768	0.5
51.02374	0.6
53.03946	3.1
55.01873	1.0
55.05496	0.9
56.05026	1.6
57.03440	3.0
57.33402	0.5
59.74651	0.5
60.03245	0.5
61.01144	0.8
69.03419	1.3
70.06586	4.5
70.67373	0.9
70.67934	0.5
71.01354	3.0
72.08146	1.9
73.02914	6.7
73.04762	0.5
75.04460	0.6
77.03923	1.0
79.05478	2.8
81.03430	0.5
81.07042	0.8
83.06094	4.1
84.04503	0.9
84.08130	3.2
85.02901	9.9
86.09699	5.0
91.05438	1.5
91.05817	1.7
93.07036	0.8
95.01326	2.3
95.04966	5.6
97.02888	2.3
98.05985	0.6
99.00797	1.0
101.02387	1.6
103.03934	2.0
103.05424	0.6
104.05318	1.3
105.03386	100.0
105.07015	0.9
106.03709	1.7
107.04958	1.2
109.02886	0.5
109.06518	0.7
110.07181	1.7
113.02357	3.7
115.05475	0.5
119.04951	2.0
120.08103	2.6
121.06525	1.1
123.04432	7.1
127.03912	0.7
129.10229	1.6
130.04141	0.5
131.03372	2.0
133.02869	0.7
136.07587	2.0
137.05975	3.7
141.01808	4.9
145.06474	0.6
146.02943	0.5
146.06271	0.6
147.04419	1.6
150.05534	0.5
159.02917	1.1
161.02269	0.6
162.06769	0.7
163.03889	1.7
164.07057	3.9
165.05475	1.1
172.03914	0.6
173.05968	0.9
175.03963	0.8
175.11194	1.5
177.05525	0.8
179.07025	23.2
180.07780	0.9
182.08153	0.9
193.05000	2.1
196.14479	3.6
197.08035	6.1
201.05431	8.1
204.06598	1.2
221.08101	1.4
224.13860	1.2
231.06601	0.6
234.06732	1.2
249.40297	0.5
251.06963	0.5
254.45142	0.6
262.06219	1.0
265.08624	0.6
268.97809	0.9
277.08588	1.0
279.06491	0.6
285.01056	1.3
295.09491	0.6
305.08109	1.5
323.09268	1.0
325.10269	0.7
337.09100	2.4
338.10004	0.9
355.11176	2.1
355.17166	0.6
355.23389	1.0
356.10941	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	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
57.53098	0.4
66.38610	0.4
70.83703	1.3
72.70228	0.5
72.84735	0.4
79.05476	1.5
83.04973	0.9
89.03913	7.5
107.04962	2.3
117.03377	9.8
119.35795	0.4
135.04407	20.6
145.02844	11.2
145.03812	0.4
146.82994	0.4
150.43309	0.5
152.57716	0.4
163.03894	100.0
164.04234	2.5
194.91537	0.5
197.66029	0.5
205.14078	0.4
237.93846	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	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
61.73656	0.4
70.06573	1.7
70.64500	1.3
72.08167	0.6
73.04737	1.1
74.74835	0.5
83.04984	0.5
84.04498	1.0
84.08121	1.6
86.09689	1.4
89.03909	6.4
91.05847	0.8
95.04937	0.5
107.04964	2.3
110.07182	0.5
117.03365	7.1
121.06523	0.8
129.10318	0.5
135.04404	16.4
136.04703	0.4
136.07529	0.4
139.03882	0.6
145.02835	10.7
163.03888	100.0
163.83710	0.5
164.04233	1.9
181.05055	0.7
285.01044	0.9
338.15912	0.5
355.16879	0.5
366.54398	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	354.3365
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
52.17695	2.0
55.05281	1.7
55.05508	13.7
57.05818	2.8
57.07082	14.1
58.02949	3.6
58.06598	17.6
60.04527	10.5
60.38236	1.7
67.05495	9.5
69.07066	21.8
69.93113	9.2
70.02941	4.0
70.06577	6.5
71.08616	10.7
72.04504	3.1
74.06052	2.5
79.05462	1.8
81.07059	17.8
83.04979	2.7
83.08609	13.5
84.08128	7.8
85.10170	3.4
86.06038	5.1
91.05810	2.6
91.86905	1.6
93.07014	3.8
95.08601	21.7
97.06493	2.1
97.10159	9.5
98.09675	2.6
109.10125	9.1
111.11707	6.3
123.11697	5.3
137.13206	2.2
161.24318	1.8
268.29916	4.0
294.31528	3.5
306.31601	4.9
308.33096	5.7
326.34195	4.6
336.32523	12.8
354.33640	100.0
355.33902	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	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92566	1.0
53.03942	4.1
55.01863	7.0
55.05514	1.7
56.05030	1.3
57.03432	5.1
60.04511	1.3
61.02927	6.4
67.05493	1.3
68.99792	2.6
69.03425	35.5
69.07051	1.8
70.06591	7.5
70.75380	1.2
70.75711	3.0
71.01330	1.3
71.04979	4.4
72.08149	6.3
73.02907	5.4
74.65784	1.0
79.05479	1.6
80.17149	1.0
81.03416	20.7
81.07019	1.3
84.04497	4.4
84.08145	7.6
85.02903	100.0
86.09720	8.9
87.00822	42.4
91.03953	2.0
91.05424	2.3
97.02890	31.0
99.04443	12.5
100.11317	1.2
103.05456	2.8
105.01862	74.7
105.07006	1.3
107.04941	4.7
108.04503	2.1
109.02873	23.1
110.07195	4.1
115.14980	1.0
117.01828	2.2
117.85552	1.0
120.08109	6.6
120.65835	1.0
121.06532	1.1
121.08469	1.7
123.04374	1.3
127.03912	70.4
127.15517	1.3
129.01842	2.4
129.10234	2.4
131.04939	1.9
135.04388	1.7
136.07529	1.2
137.05989	3.3
145.04961	33.3
145.10164	1.3
147.02893	1.9
147.04390	1.1
147.06374	1.3
159.02902	12.7
160.11758	1.1
161.06007	1.4
163.03925	6.5
167.07086	3.4
177.03966	1.5
189.03931	4.0
190.07779	1.2
191.07005	2.7
192.07799	1.2
200.85825	1.3
201.05461	4.7
213.03981	2.9
221.05983	1.4
231.04996	19.1
234.06781	2.1
235.07536	4.3
249.06070	5.2
251.07143	2.1
252.07649	1.7
263.07037	3.6
277.08719	1.1
280.07501	2.7
281.07840	1.7
285.01157	2.0
291.06604	1.7
295.09647	3.8
299.12976	1.1
323.09152	8.4
327.12265	3.5
355.11783	8.3
355.17099	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	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01872	7.6
55.05506	1.7
57.03436	5.6
61.02924	6.6
67.03346	1.0
67.42125	1.1
68.99788	3.0
69.03428	35.1
69.07073	2.1
69.46166	9.0
70.06581	4.4
71.04982	3.7
72.08148	3.4
73.02914	6.7
79.05486	1.7
81.03419	20.0
81.07047	1.2
84.04502	1.8
84.08149	3.6
85.02904	100.0
86.09707	8.7
87.00826	41.3
87.04465	1.2
89.71519	1.1
91.03956	2.7
91.05417	1.6
91.05861	1.3
95.04994	1.2
97.02299	2.2
97.02893	30.9
98.21482	2.5
99.04453	13.6
105.01867	81.5
105.07021	2.7
105.36719	1.3
108.04493	3.2
109.02871	28.7
110.07185	1.3
116.07113	1.5
117.01871	3.5
119.04939	1.5
119.08608	1.4
120.08115	5.1
121.06519	1.2
121.10122	1.2
127.03912	75.1
129.01839	3.7
129.10254	2.9
130.06500	6.2
131.04955	1.3
132.08105	2.1
136.07611	1.3
137.05986	4.9
145.04951	33.9
145.52863	1.2
147.02922	3.0
147.04337	1.3
151.07527	1.7
159.02878	11.4
159.09200	1.9
163.03903	2.1
167.07082	1.2
170.05931	1.9
177.04070	1.5
189.03963	4.0
193.04929	1.8
201.05444	5.2
205.06488	1.3
213.03923	2.5
224.07529	1.1
230.06554	1.5
231.04990	22.0
231.07253	1.5
235.07509	1.5
248.07872	1.3
249.06085	4.7
262.14157	1.2
285.01129	1.6
304.14291	1.1
319.13739	1.2
323.09235	1.7
327.12039	2.0
355.07217	1.7
355.11584	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	354.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01865	0.4
55.05485	0.4
56.05003	0.6
57.03416	0.6
60.04509	0.6
60.05605	0.3
61.02919	1.9
67.05494	0.4
69.03431	5.0
69.07029	0.6
70.02904	0.4
70.06589	4.1
70.98922	0.4
70.99260	0.6
71.06889	0.5
72.08163	2.2
73.02891	0.6
73.04734	0.4
74.06063	0.5
79.01734	0.3
81.03415	1.9
81.03795	0.3
84.04494	1.4
84.08141	3.6
85.02899	9.0
85.06461	0.4
86.09697	2.6
87.04443	0.7
87.05547	0.3
89.03860	0.7
91.03905	0.5
91.05402	0.4
91.05825	0.6
93.46361	0.3
95.04931	0.5
97.02413	0.3
97.02883	3.5
99.04430	0.9
102.05519	0.5
107.04938	0.6
109.02852	1.4
110.07159	1.5
111.04462	0.3
112.08681	0.6
115.08604	0.4
116.07037	0.3
117.03348	0.4
118.06519	0.9
120.04484	0.3
120.08112	2.0
121.06498	0.4
122.05993	0.4
127.03902	2.5
129.10277	2.3
130.06474	0.5
132.05582	0.5
134.03734	0.6
135.04443	1.4
135.05325	0.3
136.07565	0.9
137.05891	0.5
145.02829	1.0
145.04936	1.1
146.05989	1.3
150.05548	0.4
152.07050	0.5
156.07811	0.3
160.05052	80.9
161.05440	0.9
162.05396	0.3
163.03896	6.2
164.07024	1.3
174.05499	6.2
179.56877	0.3
192.07689	100.0
193.08075	1.6
245.53548	0.3
302.23453	0.3
336.14569	0.4
345.20126	0.4
354.12485	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03940	4.3
54.80372	3.1
55.05511	15.5
57.03423	6.2
57.07066	7.2
67.05505	100.0
69.07069	22.0
70.06587	5.3
71.08614	5.7
71.15691	6.7
75.50448	3.7
79.05493	56.7
81.06590	7.0
81.07053	99.8
83.04968	3.8
83.08610	11.7
86.09700	4.5
91.05489	31.0
93.07037	67.4
93.78840	3.3
94.07306	3.3
95.04968	9.3
95.08607	85.0
95.09186	6.8
96.94234	3.5
97.02989	3.5
97.06525	4.5
97.10197	3.8
99.08097	7.3
105.07018	21.0
107.08590	43.2
109.10144	33.7
117.07013	10.4
119.08578	20.9
121.06452	5.2
121.10154	37.4
123.11699	14.4
125.09708	3.8
131.08562	25.0
133.10110	15.1
135.11676	31.4
137.13263	6.2
145.10100	17.3
147.11679	14.4
149.13261	24.8
151.14821	4.3
159.11691	14.9
161.13277	10.4
163.14828	12.5
173.13277	15.2
175.14807	4.0
177.16434	7.9
187.14824	13.2
224.53032	3.4
233.22675	8.9
243.21075	26.7
261.22144	76.7
335.25848	10.1
353.22717	5.3
353.26572	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03915	2.6
55.01862	4.0
55.05507	29.0
57.03441	18.6
57.07069	9.0
65.03938	4.1
67.05501	93.4
69.07069	38.6
69.32002	19.7
69.32417	6.9
71.08625	34.7
72.08141	3.9
79.05495	46.1
81.07053	100.0
83.04971	3.2
83.08630	21.3
85.06535	7.2
85.10186	2.9
91.05483	26.1
93.07036	51.1
95.04971	6.5
95.08607	74.4
97.06521	11.5
97.10156	11.7
98.21504	5.7
99.08094	28.8
105.07034	21.8
107.08582	40.7
107.68776	2.6
109.06494	3.0
109.10152	45.0
111.08070	6.3
111.11699	3.6
117.07025	9.7
119.08572	12.5
121.10147	27.9
123.11707	17.2
125.09609	6.7
131.08517	14.0
133.10143	10.9
135.11714	23.7
137.13245	9.3
145.10095	7.9
147.11707	16.8
149.13329	15.6
151.14758	4.8
152.57225	2.6
153.12776	4.2
156.34560	2.6
159.11665	8.7
161.13234	9.6
163.14845	13.6
165.12735	7.0
173.11812	2.8
173.13257	8.9
177.12808	3.2
177.16351	3.5
187.14897	5.5
189.11125	4.5
217.19524	2.8
233.22609	5.3
242.41566	2.8
242.59450	2.7
243.21085	19.7
261.22119	66.9
279.23239	25.0
335.25687	10.3
353.26862	54.1
354.26889	3.0
371.17416	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	3.7
55.05512	19.9
57.03409	8.1
57.07068	6.3
61.93262	2.6
64.52280	2.3
65.03910	2.5
67.05503	98.4
69.07076	17.7
70.06564	5.2
71.04975	2.9
71.08615	8.2
71.57954	5.1
79.05491	59.0
80.05823	4.0
81.07053	100.0
83.08609	6.4
84.08119	2.6
85.06528	5.5
85.10184	2.8
85.11192	2.6
91.05473	28.1
93.07043	69.5
95.04924	7.4
95.07994	4.8
95.08601	75.1
97.06519	5.3
97.10143	6.2
99.08068	9.8
105.06996	23.3
107.08592	41.2
109.10152	31.4
111.08009	3.6
113.09650	3.1
117.06999	8.9
119.08559	15.2
121.10150	36.0
121.75182	2.6
123.11674	15.7
130.86835	2.6
131.08560	27.8
133.10133	14.5
135.11688	25.1
137.13268	7.4
145.10147	18.4
147.11671	15.1
149.13249	25.4
150.05544	2.5
151.14813	6.3
153.12878	2.7
157.10233	4.0
159.11716	12.8
161.13272	9.7
163.14804	18.7
169.10161	2.7
172.59349	2.7
173.13258	19.1
175.14790	3.3
175.88869	2.6
177.16338	8.7
187.14793	7.9
233.22595	7.9
243.21100	28.5
244.21523	3.7
261.22150	77.6
262.22412	4.0
279.23163	7.5
335.25745	9.6
353.26407	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	4.3
55.05506	19.7
57.03431	8.9
57.07074	3.6
67.05505	94.9
69.07074	18.2
71.04984	2.9
71.08617	3.3
71.51922	3.2
79.05493	48.2
81.07050	100.0
83.08615	6.1
85.06534	5.1
91.05466	22.1
91.39003	2.7
93.07034	50.2
95.04990	4.2
95.07995	4.2
95.08603	81.9
96.95124	2.7
97.06559	4.6
97.10149	4.5
99.08054	4.6
101.90471	3.1
105.07012	20.1
107.08585	37.7
109.09480	4.4
109.10156	46.1
113.28070	3.0
117.07010	10.4
119.08593	14.7
121.10145	32.5
123.08080	3.4
123.11708	27.3
131.08554	20.6
133.10135	17.3
135.11674	29.9
137.13258	11.3
145.10155	17.4
147.11678	12.0
149.02547	3.0
149.13264	15.7
158.17786	2.7
159.11670	16.7
161.13271	13.3
163.14824	11.7
173.13260	14.9
173.74596	3.4
177.16396	4.0
187.14839	11.9
201.16356	5.4
205.20236	3.4
233.22598	5.6
243.21062	22.4
248.48846	2.9
261.22116	95.8
279.23132	10.5
317.18021	6.0
335.25830	13.3
353.26868	22.4
363.93579	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.63444	2.0
55.05506	7.7
57.03428	6.5
57.07082	3.0
64.61077	1.9
65.03918	2.5
67.05501	81.1
69.07055	14.0
70.03565	7.5
71.08598	2.3
72.42574	1.9
75.04507	2.7
79.05489	31.3
81.07053	81.4
83.08622	8.4
91.05493	18.4
93.07042	40.7
95.04985	3.0
95.08604	63.2
97.06532	3.0
97.10155	3.2
99.08073	4.0
99.83868	2.2
105.07031	12.3
105.98601	2.2
107.08588	28.4
109.10157	36.5
117.07021	7.3
119.08585	14.5
121.10132	24.8
123.11680	20.3
131.08569	18.0
133.10147	9.7
135.11684	24.3
135.12617	3.3
137.09605	2.8
137.13272	7.9
145.10114	11.4
147.11693	9.6
149.13260	23.6
153.12715	3.7
159.11700	12.7
161.13264	8.8
163.14809	11.2
173.13240	16.7
175.14865	3.4
177.16428	4.3
187.14857	11.3
189.16327	2.2
201.16452	5.5
233.22609	5.2
243.21091	24.6
261.22110	100.0
278.12192	2.1
279.23288	5.9
335.25726	13.9
353.26740	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82344	1.4
53.03920	2.8
55.05513	16.8
57.03418	6.0
57.07064	6.4
61.47325	1.5
65.03935	2.7
67.05504	100.0
69.07061	15.1
69.32719	14.4
71.04988	4.2
71.08611	2.3
79.05492	44.4
81.07054	93.8
83.04957	2.0
83.08595	8.7
85.06503	1.6
91.05485	19.8
93.07041	68.4
95.04953	5.0
95.08605	68.6
96.08912	1.6
97.06526	4.5
97.10156	3.1
102.77691	1.7
105.06505	1.6
105.07039	16.4
107.07885	2.8
107.08590	46.8
109.06528	2.4
109.10153	35.6
117.07018	11.1
119.08589	16.6
121.09328	3.1
121.10137	34.2
123.08087	1.9
123.11694	19.4
125.09659	1.7
128.01694	1.5
129.86369	2.2
131.08572	21.5
133.10110	13.9
135.11696	27.7
137.13225	7.4
139.11229	2.4
143.79213	1.9
145.10107	14.7
147.11647	9.8
149.13257	18.1
151.14809	2.7
153.12720	2.3
159.11687	15.3
161.13242	6.9
163.14824	11.4
173.13260	19.2
175.14842	3.7
177.16422	4.4
187.14816	7.3
201.16304	2.5
205.15810	2.3
233.22635	3.8
243.21106	22.3
261.22144	83.4
262.22528	2.0
271.59848	1.8
279.23166	4.7
335.25980	4.5
353.26913	16.6
378.03278	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
53.59397	1.0
55.05514	11.7
55.11444	1.1
57.03429	4.3
57.07076	5.1
65.03921	3.2
67.05502	79.6
69.07066	10.1
70.76753	2.9
71.04985	2.8
75.04471	1.5
78.63112	1.0
79.05491	46.3
79.44524	1.0
81.07053	89.6
83.04993	1.1
83.08627	4.1
85.06547	2.6
85.10150	1.0
85.11652	1.1
90.46661	1.0
91.05477	24.4
93.07040	57.8
95.04968	3.6
95.08605	66.0
97.06523	3.2
97.10157	3.3
99.08063	2.5
104.73270	1.0
105.07034	15.1
107.08590	36.8
109.06476	1.9
109.10155	34.4
111.08091	2.2
117.07008	8.2
119.08587	13.9
121.10142	32.4
123.08121	1.1
123.11697	21.2
125.09636	1.5
129.06984	1.0
130.07716	1.0
131.08572	23.2
133.10127	13.0
135.11696	26.9
135.12709	1.7
137.09601	1.9
137.13260	7.9
139.11147	1.7
145.10114	16.4
147.11688	9.8
149.13261	21.2
151.14848	2.4
159.11681	15.1
161.13231	9.7
163.14804	13.9
165.12729	1.7
173.13278	14.3
175.14835	3.8
177.16359	4.8
179.14314	1.9
187.14792	9.3
191.14270	1.5
201.16380	3.1
205.15833	1.8
212.71626	1.0
215.18005	1.7
233.22647	5.7
243.21098	24.9
261.22131	100.0
262.22598	3.8
269.65125	1.3
279.23172	3.1
335.25842	7.3
353.26843	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.45041	1.7
53.03940	2.1
55.05506	13.8
56.73238	1.5
57.03422	7.1
57.07063	4.3
65.03928	4.0
65.84755	1.7
67.05502	95.5
69.07067	11.5
69.90316	3.5
69.90714	4.9
71.08611	2.6
76.36208	1.3
79.05485	41.2
81.07050	100.0
83.08615	7.4
85.06541	2.9
91.05467	20.1
93.07037	56.8
93.94167	1.5
95.04958	2.9
95.08598	73.9
96.75034	1.6
97.06519	3.7
97.10151	3.7
99.08079	2.1
105.07012	12.9
106.15567	1.4
107.08581	37.3
109.06524	2.3
109.10152	38.3
111.08018	1.9
117.07027	10.6
119.08580	14.8
121.10127	33.7
123.08028	3.0
123.11694	23.9
131.08574	19.9
133.10103	13.5
135.11682	25.9
137.09650	2.4
137.13258	9.1
143.08717	1.9
144.99228	1.5
145.10124	16.0
147.11644	12.2
149.13249	17.4
151.14827	4.2
153.12883	1.6
159.11703	11.0
159.12819	2.1
161.13222	10.4
163.14793	10.3
165.12819	1.9
173.13269	19.6
175.14824	3.8
177.12776	2.1
177.16327	4.9
187.14816	11.9
201.16351	3.5
209.15331	2.0
219.17453	1.9
233.22603	2.4
243.21062	21.6
261.22125	94.6
263.23538	1.7
279.23114	7.1
335.25729	11.4
353.26846	23.8
376.70645	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05490	12.7
57.03428	8.1
57.07074	3.9
58.66332	2.3
67.05502	100.0
69.07071	13.3
69.66360	20.3
70.57628	2.5
74.21043	2.3
79.05489	39.1
81.07050	94.7
83.08618	9.0
85.06544	4.4
91.05470	22.2
93.07034	46.4
95.04993	3.9
95.08601	72.3
97.06544	3.0
99.08080	3.5
105.07022	18.8
107.08572	31.7
109.10136	36.8
110.10545	2.7
117.07005	9.6
119.08559	12.0
121.10131	29.0
123.11691	22.0
125.43192	2.7
131.08545	21.2
133.10130	10.8
135.11682	27.3
137.13246	9.0
145.10133	14.5
147.11676	9.4
149.13246	20.6
151.14836	4.5
151.54938	2.6
159.11720	11.8
161.13269	7.7
163.14786	13.0
170.46944	2.6
173.13281	12.9
175.14769	3.8
177.16290	3.6
187.14844	10.5
224.36708	2.9
233.22571	3.7
240.84946	2.7
243.21060	23.2
261.22104	97.0
262.22507	4.9
279.23163	5.7
335.25879	15.5
353.26804	25.6
360.55399	2.8
365.83820	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05502	15.2
57.03417	6.5
57.07059	5.0
65.03896	2.3
67.05501	90.6
69.07063	10.8
69.23125	14.7
69.23551	5.2
71.04977	2.2
71.08548	1.9
74.74669	1.7
79.05492	43.8
81.07052	83.9
83.08595	7.7
85.06544	3.7
86.58515	1.7
91.05482	23.0
93.07040	60.7
95.04975	2.7
95.08601	74.2
97.06535	3.3
97.10135	5.1
99.08072	4.3
105.07023	18.4
107.08580	40.5
109.10149	34.0
111.08092	2.7
113.09689	1.7
117.06996	10.4
119.08578	12.2
121.09327	3.2
121.10140	35.5
123.11704	17.2
131.08588	19.2
133.10097	14.9
135.11682	23.2
137.13216	6.6
145.10121	17.2
147.11707	9.8
149.13246	20.6
153.12564	1.8
159.11658	13.8
161.13202	9.3
163.14838	12.5
173.13249	18.4
175.14838	3.2
177.16327	5.6
187.14841	7.6
191.14351	2.3
197.68945	2.0
201.16313	3.3
215.17958	2.0
233.22565	3.9
243.21100	24.0
245.04283	2.3
261.22128	100.0
279.23117	5.4
335.25735	6.6
353.26810	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	353.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69885	0.5
55.05509	1.5
67.05501	1.9
69.03422	1.1
69.07054	1.2
70.06593	3.2
71.55500	0.6
72.08144	1.2
76.72091	0.5
79.05486	1.6
80.05016	0.9
81.03423	0.9
81.07038	2.2
84.08140	0.9
85.02896	0.9
86.09701	2.5
88.04028	0.5
91.05484	3.5
93.07046	1.6
95.04963	1.0
95.08574	1.0
97.02895	0.6
98.97588	0.5
105.07029	1.3
106.06544	2.0
107.04982	0.9
107.08598	1.3
109.10159	1.3
110.05997	0.9
110.07163	0.9
119.04924	0.6
119.08582	1.5
120.08081	1.7
121.06488	0.8
121.10147	1.0
122.06020	0.9
129.10242	1.0
131.08554	0.9
133.06461	0.7
133.10123	1.2
134.06001	37.9
137.05937	1.3
146.05916	0.6
149.09610	1.0
150.05464	1.2
161.05920	0.6
162.05493	100.0
163.06252	7.3
164.07034	1.5
167.07045	0.7
175.03879	0.6
176.07002	0.9
177.05502	1.0
177.22679	0.5
189.09254	0.6
207.06436	0.6
216.39679	0.5
235.07413	0.6
261.09641	0.6
266.08145	0.8
271.29727	0.5
271.79620	0.7
279.10944	1.1
289.09177	1.0
307.10669	3.8
310.09302	0.9
317.14798	1.8
320.07877	2.2
324.10876	1.3
325.11765	20.4
326.11884	1.1
335.10190	3.9
336.10776	1.7
353.11197	48.7
354.11365	2.1
373.65176	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	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
56.05000	0.5
60.04522	0.4
65.19615	0.4
65.45049	0.4
67.05477	1.1
69.07067	0.8
70.06590	0.6
70.97516	0.7
70.97852	0.9
77.00915	1.2
79.05488	1.0
81.07043	1.4
83.08620	0.9
86.09707	0.6
91.05438	0.6
93.07044	0.9
95.01943	0.6
95.04951	0.8
95.08601	1.1
105.07031	0.9
107.08561	0.5
109.06471	0.5
109.10088	0.6
111.70396	0.5
119.08592	0.7
122.38815	0.5
133.10078	0.5
150.05502	0.5
177.12715	0.7
213.09721	0.5
215.11304	2.1
225.09612	0.5
233.12292	0.8
243.14508	1.9
253.12912	1.9
261.15518	0.6
271.13898	2.4
294.24524	0.6
317.11237	0.5
317.14960	1.5
317.19492	0.6
335.20474	2.4
353.22977	100.0
354.23315	4.6
371.22534	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	353.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
67.05517	2.2
69.03410	0.9
69.07045	1.6
69.37386	6.8
70.06598	1.4
72.04510	1.4
72.08145	1.1
79.05495	2.2
79.89304	0.7
80.05006	1.8
81.05786	1.2
81.07067	4.2
82.70366	0.7
84.04506	1.4
84.08128	1.5
86.09703	1.8
91.05478	2.8
93.07037	3.2
94.06539	0.8
95.04950	1.5
95.08601	3.1
100.55457	0.7
104.95978	0.8
105.07048	1.7
107.08594	2.5
108.04479	1.6
109.05264	8.1
109.10168	1.9
113.97041	0.8
119.08582	1.5
120.08057	1.0
121.06522	1.0
121.10114	1.3
123.08088	0.7
123.11701	0.9
124.07588	100.0
125.07906	1.2
130.05045	0.9
131.08553	1.1
134.06020	1.5
135.11682	0.9
136.03923	0.8
137.05885	0.8
145.05183	4.5
152.07080	1.1
154.40002	0.9
162.05563	3.9
163.06233	1.0
164.07085	1.6
167.07033	1.1
168.08058	1.1
173.04733	4.5
177.12735	0.9
180.08037	1.0
184.07487	2.6
186.05536	1.0
191.07086	1.1
196.07578	1.5
198.09120	1.1
203.18065	0.9
208.07539	2.4
209.10718	1.2
212.07494	1.2
212.09425	6.5
213.07892	2.5
222.07813	1.2
222.88025	0.9
223.06453	0.9
223.08551	1.9
224.07050	3.8
224.09029	1.0
225.08081	1.4
225.10074	1.1
226.08751	1.1
226.10944	2.9
227.09662	1.2
227.11676	3.6
235.08694	1.1
236.07129	1.6
236.09428	2.2
237.07951	0.9
237.10210	14.0
238.08777	0.8
238.11015	1.9
239.05907	1.7
239.08121	2.7
240.06480	3.5
240.08890	5.3
241.13437	1.2
242.04443	0.9
247.04755	6.5
249.10295	2.1
250.07388	1.8
251.08086	2.5
252.06459	3.5
252.08908	5.5
253.09743	5.6
254.10483	4.5
264.09015	4.7
265.09720	13.4
266.07956	0.5
266.10504	10.3
267.07587	3.3
268.08450	8.6
269.12759	1.4
275.12631	0.9
279.07684	1.4
280.05966	1.8
280.12115	1.1
281.06708	0.9
281.09235	9.2
282.09991	16.6
283.10764	4.6
292.08344	1.8
293.09283	6.5
296.07867	14.5
297.08981	1.1
297.12360	7.8
298.09433	1.2
306.05945	0.9
308.66129	0.9
309.08578	2.9
310.09409	6.0
311.10251	67.0
312.10504	2.4
317.14899	2.0
320.07785	2.4
321.08667	20.0
322.09064	1.4
325.11823	39.0
326.12006	1.2
332.10263	1.3
332.60571	1.4
335.10184	2.1
338.08841	2.6
353.11160	25.1
354.11749	1.5
372.55063	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	353.0843
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
70.51669	3.7
70.52358	1.3
92.96684	1.2
94.92997	7.9
96.92856	6.5
141.17587	1.1
149.98264	1.3
159.85353	1.2
164.06839	1.2
177.69540	1.5
180.90427	2.2
181.85400	1.2
190.91153	1.2
196.87845	12.6
204.87006	2.7
218.85991	1.7
232.92250	2.7
236.87090	2.0
250.89502	5.9
251.89842	3.5
252.89394	3.0
353.08435	100.0
354.08914	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	352.1656
Annotation	H-TRP-PHE-OH
Peak:m/z	Relative Intensity
54.03432	0.4
55.01853	0.4
56.05022	0.6
57.76616	0.4
61.08398	0.4
69.03422	0.4
69.26737	0.7
69.27139	4.6
70.06587	2.1
71.75815	0.4
72.08150	1.2
83.06122	0.4
84.08121	2.4
86.09713	2.3
91.05475	3.8
93.07046	0.9
95.04883	0.4
103.05449	2.6
110.07153	0.7
115.05462	4.5
117.05750	3.7
117.07024	2.0
118.06530	1.9
118.07284	0.4
120.08102	16.5
126.44003	0.4
128.04942	1.5
128.30421	0.4
129.10300	0.5
130.06522	40.3
131.06847	0.8
132.08086	50.8
133.08418	1.2
137.05962	0.5
142.06522	7.7
143.07286	2.0
144.08080	46.5
145.06526	0.6
145.08406	1.6
146.06006	17.7
158.08447	0.7
159.09172	100.0
160.07574	6.6
160.09529	2.6
166.08662	0.7
170.06013	20.3
171.06371	0.7
172.07623	0.9
175.08699	0.9
184.07294	0.5
188.07062	1.2
192.06496	0.7
202.09033	0.5
208.06882	0.7
221.03729	0.5
222.02278	1.0
229.39183	0.5
247.12320	0.4
262.96912	0.5
289.10168	0.8
289.13403	1.5
292.58456	0.5
293.13000	1.0
307.14432	2.3
327.13388	0.5
335.13892	44.4
336.14267	2.8
352.16528	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	352.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.47881	1.4
55.01862	4.5
55.05511	12.6
56.05031	16.9
56.05843	1.5
57.03427	3.0
57.07065	2.5
58.06602	25.0
60.04530	15.0
65.03951	1.7
67.05506	38.5
68.05825	2.8
69.03409	2.2
69.07070	17.5
70.06597	3.7
71.04978	3.2
71.08611	2.7
71.57890	3.2
79.05497	21.7
80.04996	2.0
80.05825	2.7
81.03413	1.9
81.06596	1.9
81.07058	23.5
82.07379	2.7
83.08612	4.9
84.08159	2.2
85.06525	1.6
86.09691	2.1
91.05485	25.6
93.07044	23.1
94.06571	5.9
94.07358	3.3
95.04955	3.8
95.08607	23.1
96.08949	3.9
97.10165	2.8
100.07620	12.5
105.07027	16.2
106.07336	1.8
107.08605	13.7
108.08102	5.8
108.08871	3.3
109.06494	2.7
109.09404	2.0
109.10155	29.3
110.10465	1.5
111.08078	2.4
111.11716	1.9
117.07018	5.0
119.08567	16.0
120.08872	1.4
121.10162	12.4
123.08044	4.1
123.11717	2.3
125.09605	3.0
131.08556	8.7
133.10127	18.6
134.10475	1.7
135.08034	1.7
135.11702	5.8
136.11192	4.9
137.05986	2.7
137.09615	16.0
145.10118	4.4
147.11655	4.7
148.12135	1.5
149.09586	3.3
149.13243	1.9
154.12270	100.0
155.12585	3.0
157.10100	2.1
159.11690	3.3
161.13286	2.4
163.11119	1.7
168.13866	2.2
171.11664	3.3
172.13336	55.2
173.11717	5.2
173.13312	2.6
179.14297	3.1
180.13895	4.8
183.11737	2.4
189.11278	1.7
196.13324	36.9
197.13560	2.1
206.15384	1.8
214.14423	10.9
222.15031	1.7
224.16591	1.9
229.14372	1.6
236.16583	2.6
239.17891	3.1
257.18896	2.7
260.20920	4.1
261.22089	2.2
274.21506	2.7
275.20044	17.1
276.20197	1.4
278.21872	4.6
292.22662	11.5
293.21173	4.0
306.24252	5.5
315.77377	1.4
316.22620	1.3
319.14551	1.7
334.23773	5.3
352.24911	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	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95609	2.5
53.03932	7.2
54.64478	2.3
55.01867	12.2
55.05490	3.1
56.05019	4.3
56.92509	2.4
57.03424	8.5
57.25363	2.5
60.04527	3.1
61.02916	5.8
67.05499	4.7
68.99787	2.7
69.03429	38.1
69.07061	16.5
70.06580	11.2
70.60410	3.0
70.60759	8.4
71.01333	3.1
71.04985	5.5
72.02140	2.5
72.08139	4.2
73.02895	11.1
78.08385	2.3
79.05480	6.9
81.03423	30.7
81.07048	14.6
83.01266	3.0
84.04483	6.3
84.08121	9.8
85.02901	100.0
85.06516	5.5
86.09707	13.4
87.00826	48.9
91.03903	3.1
91.05460	10.6
93.07015	12.9
94.64339	2.4
95.04974	3.7
95.08579	3.5
97.02893	54.9
97.06517	3.4
99.04430	16.2
103.03913	3.8
105.01856	63.1
105.07000	2.4
107.08572	5.4
108.04510	3.9
109.02867	31.7
109.06519	4.9
110.07178	6.5
111.08083	15.4
112.08699	4.0
115.03899	3.1
117.01891	3.9
117.06952	3.6
119.04890	2.8
119.08622	2.7
120.08112	11.2
125.06117	2.4
126.05515	3.6
127.03908	77.3
129.01825	7.6
129.10210	3.9
130.04895	2.7
131.08565	7.3
135.08032	3.7
137.05954	8.2
145.03914	4.7
145.04964	41.2
147.02930	4.0
147.08017	7.0
152.56453	2.6
153.09091	11.1
154.91330	3.2
159.02879	18.0
159.08017	4.0
165.09117	8.1
174.82129	2.9
177.09090	21.6
189.03960	8.9
195.10173	29.6
207.06516	3.7
208.06796	3.6
231.04973	26.8
234.77805	2.7
249.06088	7.6
269.10187	2.7
299.11295	5.0
334.17023	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
53.03933	5.6
54.44226	1.5
55.01870	2.5
55.05506	27.9
57.03435	21.0
57.07065	4.9
60.30379	1.5
65.03928	2.4
67.05502	63.7
69.03428	1.8
69.07069	21.5
70.64843	3.9
71.05001	3.8
71.08246	3.4
71.08630	55.2
72.29535	1.8
73.60742	1.7
73.61310	1.5
79.05492	52.0
81.03433	8.0
81.07056	67.7
83.04990	10.1
83.08617	12.2
83.09411	1.9
83.46404	1.5
85.06516	4.1
91.05471	35.0
93.07041	69.1
94.07352	1.9
95.04986	13.5
95.08604	43.1
97.06538	8.7
97.10152	6.0
99.08091	41.3
105.07024	27.9
107.04955	7.1
107.08582	40.0
109.06495	5.7
109.10148	23.2
111.08080	3.3
111.11807	1.7
113.09613	2.6
117.07015	6.2
119.08570	25.7
121.06525	1.7
121.10139	28.8
123.08065	2.6
123.11707	3.9
125.09632	3.1
129.06990	3.9
131.08569	8.0
133.10135	19.1
134.45844	1.5
135.08075	2.0
135.10712	2.9
135.11685	39.7
137.09616	6.2
141.09096	4.1
143.08588	2.5
145.10104	6.9
147.11684	13.0
149.13281	11.6
151.11169	20.9
153.12714	2.0
157.10092	4.6
159.11707	5.8
161.13237	16.6
163.11197	9.1
163.14922	1.9
165.12784	3.7
171.11705	3.6
173.13307	2.7
175.14833	3.3
177.12724	5.1
179.14302	100.0
180.14632	3.5
185.13203	2.0
189.12746	4.0
199.14917	2.0
213.16373	2.4
221.15271	3.4
235.16911	5.7
241.19557	5.1
243.83977	1.7
259.20551	15.8
277.21625	38.2
278.22083	2.9
351.25281	39.8
352.25330	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
53.37542	1.9
53.82995	2.0
55.01857	5.1
55.05510	22.4
57.03432	19.4
57.07058	5.5
65.03916	2.9
67.05502	60.2
68.05807	2.0
69.07067	20.8
69.55298	13.4
69.55707	2.7
71.04987	2.8
71.08240	3.5
71.08627	54.6
79.05488	49.1
81.03400	7.1
81.07051	63.2
81.07535	3.1
83.04967	9.7
83.08616	12.6
85.06536	4.5
90.49266	2.0
91.05476	32.5
93.07043	65.0
95.04967	10.4
95.08600	45.1
97.06536	9.1
97.10159	6.1
98.20718	1.7
99.08087	39.9
105.07016	20.8
107.04948	8.6
107.08582	34.0
109.06529	3.6
109.10167	17.7
111.08059	4.4
113.09645	3.0
117.06970	9.9
119.08590	19.2
121.10130	27.9
123.11704	3.8
125.09573	2.5
131.08559	5.7
133.06454	1.9
133.10121	21.1
135.11685	33.6
135.12619	3.4
137.09595	3.6
141.09090	3.8
143.08510	3.4
145.10110	6.0
147.11688	12.2
149.09627	2.3
149.13257	12.9
151.11163	18.0
157.10133	2.9
159.11664	7.9
161.13251	14.9
163.11198	5.8
163.14783	3.5
165.12784	2.4
167.10631	2.6
171.11713	3.2
172.61716	2.0
173.13210	3.4
175.14783	3.0
177.12779	4.5
179.14301	100.0
181.12169	2.5
185.13254	3.7
189.12779	2.9
199.14822	3.4
201.01343	2.2
217.19551	2.8
221.15344	4.3
231.21295	1.9
235.16930	5.5
241.19470	6.6
259.20541	13.8
277.21637	33.0
351.25293	42.3
352.25491	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01862	4.2
55.05509	18.7
57.03438	10.2
57.07063	3.4
59.04966	1.4
60.32630	1.4
65.03925	3.7
67.05502	46.5
69.03408	1.6
69.07069	16.0
69.37019	14.3
70.06626	1.6
71.04969	3.0
71.08639	1.5
75.04459	2.5
79.05491	65.5
81.03419	2.2
81.07053	62.6
83.04996	3.1
83.08623	7.9
85.06561	4.1
91.05476	47.3
93.07040	96.5
94.07384	3.2
95.04964	5.9
95.08607	43.1
97.06519	3.9
97.10141	3.8
98.21468	3.0
99.08096	3.9
101.06000	2.0
105.07028	53.9
107.08589	57.9
109.06503	3.9
109.10156	17.3
111.08086	2.8
112.54525	1.6
116.60272	2.0
117.07016	11.5
119.08575	46.6
120.08955	1.6
121.06485	1.8
121.10142	46.0
123.11733	4.6
125.09654	1.7
127.07561	1.6
128.06233	1.8
129.07057	8.5
131.08557	22.9
133.10120	50.0
135.11690	46.3
137.05986	5.9
143.08583	9.2
145.10127	19.7
147.11673	45.9
149.09619	2.1
149.13249	24.8
157.10092	8.1
159.11676	17.8
161.09706	2.4
161.13249	40.3
163.11180	3.5
163.14833	7.3
171.11699	16.4
173.13240	13.2
175.11147	1.6
175.14806	18.4
177.12715	2.6
177.16359	1.8
181.12157	2.1
185.13264	15.5
187.14705	2.6
189.12805	2.1
199.14835	5.1
200.42720	1.8
203.14432	2.6
213.16351	4.7
217.19481	5.1
221.15256	1.6
224.22600	1.9
231.17459	4.4
231.21059	8.1
241.19489	36.0
259.20566	100.0
260.20996	4.1
261.22073	2.2
277.18405	2.2
277.21567	19.3
333.24146	8.9
351.25296	65.9
352.25406	3.3
355.09827	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.05514	19.7
57.03425	7.9
57.07067	4.4
62.99533	1.9
65.03940	2.9
67.05509	51.5
69.07064	16.8
71.04979	2.1
74.68066	1.9
75.04472	3.2
79.05492	61.8
81.07053	51.5
83.04977	3.3
83.08623	8.9
85.06546	4.6
91.05477	61.2
92.84209	1.9
93.07044	92.4
95.04961	8.3
95.08610	38.8
97.06496	4.1
97.10139	4.2
105.07029	68.5
107.08593	42.3
109.06514	3.4
109.10162	19.5
112.91091	2.0
113.09661	2.4
117.07005	14.1
119.08580	57.8
121.10136	33.2
123.08019	3.1
123.11707	6.9
129.07002	7.6
131.08548	24.6
133.10132	50.7
134.02461	1.9
135.08035	3.3
135.11676	39.4
137.05963	2.4
137.09628	3.1
143.08574	9.8
145.10117	27.0
147.11682	48.0
149.13248	20.0
156.09428	2.1
157.10149	9.4
159.11716	21.9
161.13268	40.2
163.11197	3.7
163.14813	7.6
171.11716	17.5
173.13220	13.8
175.14816	17.3
177.12723	2.2
185.13245	12.7
187.14789	3.3
189.12778	1.9
199.14803	7.1
213.16354	3.6
217.15883	3.0
231.17566	3.4
231.21051	8.2
241.19473	35.6
259.20572	100.0
260.20880	3.7
277.21643	8.0
333.24277	2.9
351.25296	69.2
352.25690	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01846	2.9
55.05507	18.6
57.03445	10.4
57.07075	2.1
65.03953	4.3
67.05504	49.8
68.47729	2.0
69.07057	17.3
71.04993	4.3
71.08626	2.4
71.21436	3.6
72.08188	2.2
73.14052	1.9
75.04467	3.1
79.05489	67.0
81.07052	60.7
83.08620	10.1
85.06503	3.6
86.09696	4.2
91.05479	55.7
93.07041	100.0
95.04969	6.6
95.08601	48.4
97.06531	3.4
97.10178	3.7
99.08109	3.4
105.07020	54.4
107.08587	58.7
109.06532	5.3
109.10165	15.1
115.05417	2.4
117.07046	12.8
119.08575	51.3
119.09378	4.3
121.06496	2.5
121.10136	47.0
123.08089	3.5
123.11713	6.4
125.00020	3.3
125.09531	2.1
129.06999	9.6
131.08575	24.3
133.10126	47.3
135.08087	2.9
135.11690	51.8
143.08559	8.1
145.10123	23.0
147.11685	50.7
149.09703	2.6
149.13252	27.1
157.10126	9.1
159.11711	19.3
161.13272	35.1
163.11157	3.7
163.14812	8.2
165.12691	2.8
166.79831	2.1
171.11679	13.7
173.13329	11.4
175.14888	15.5
177.12801	3.5
179.14323	3.1
184.07352	8.5
185.13281	10.2
189.12686	4.2
189.16191	2.3
199.14857	6.2
213.16408	7.2
215.17946	3.7
217.19496	3.9
231.17538	3.8
231.21120	9.9
241.19479	29.7
259.20563	98.6
260.20966	6.0
277.21637	15.9
281.25861	2.1
333.24155	10.3
351.25317	65.7
352.25687	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13514	1.7
53.03938	4.4
53.86310	1.7
55.01853	2.6
55.05263	2.4
55.05508	20.7
57.03442	12.9
57.07051	6.8
65.03934	4.6
67.05505	54.6
67.38834	1.8
69.07068	20.1
70.12370	3.6
70.12777	6.1
71.04968	3.4
71.08618	4.2
75.04461	3.2
79.05493	73.6
81.07054	63.4
83.04956	3.7
83.08614	9.9
83.64423	1.7
85.06548	4.0
91.05476	57.3
93.07043	96.5
95.04958	6.9
95.08606	44.0
97.06521	4.3
97.10135	3.6
98.20868	2.5
99.08091	7.6
105.07031	60.2
106.07323	3.6
107.07884	3.4
107.08589	55.3
108.08857	2.7
109.06514	3.0
109.10161	20.7
111.08061	3.5
113.09618	2.8
117.07003	14.0
119.08575	58.6
121.10144	51.7
123.08029	2.6
123.11697	4.9
125.09618	2.5
129.06966	11.2
131.08565	20.2
133.10120	48.2
135.08049	2.6
135.11682	41.7
137.09602	2.5
143.08565	11.6
145.10123	28.5
147.08044	2.4
147.11682	44.5
147.20323	1.7
149.13249	30.1
151.11201	2.8
157.10114	8.3
159.11693	20.7
161.09671	4.1
161.13261	36.8
163.14803	11.4
165.12744	1.9
171.11693	11.1
173.13310	8.9
175.11250	2.5
175.14845	21.1
177.12772	5.1
179.14232	11.2
185.13249	13.6
187.14781	3.2
189.12654	2.6
191.14346	2.1
199.14795	9.1
213.16333	4.8
215.17987	2.7
217.19574	5.5
231.17497	3.7
231.21080	8.3
241.19496	38.1
259.20587	100.0
260.20959	4.6
277.21616	18.7
333.24252	12.0
337.88406	1.8
351.25284	72.9
352.25571	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01868	2.9
55.05513	23.0
57.03441	11.1
57.07075	2.5
65.03931	3.6
67.05506	55.8
68.02907	1.8
69.07069	24.9
70.08434	10.6
71.04986	4.1
75.04475	2.5
79.05495	67.9
81.07053	69.5
83.04993	4.1
83.08604	11.6
83.10841	2.0
85.06528	5.2
86.09660	2.0
91.05481	63.6
93.07040	100.0
95.04965	7.6
95.08604	45.8
97.06522	6.0
97.10159	2.2
99.08064	3.1
105.07021	64.8
107.07880	4.4
107.08588	60.0
109.06497	3.8
109.10165	18.4
111.80449	2.0
117.07021	15.3
119.08581	48.0
121.06400	3.7
121.10149	51.2
123.11712	4.0
129.06987	8.6
131.08554	25.0
133.10132	48.9
135.11690	51.2
137.05960	7.5
137.09596	3.7
141.76805	2.0
143.08513	9.7
145.10126	22.7
147.11682	49.3
149.13257	26.6
151.11183	4.4
157.10114	6.5
159.11700	20.8
161.13251	31.3
161.85556	2.1
163.11220	2.2
163.14793	6.5
171.11708	12.7
171.31726	2.5
173.13257	9.7
175.14810	12.0
177.12769	3.3
179.14267	3.3
185.13283	12.7
185.14685	1.8
187.14804	4.5
199.14783	6.5
213.16403	4.5
231.21071	6.6
241.19518	28.8
249.18605	2.5
250.83606	2.1
259.20575	98.4
260.20932	2.8
261.14655	2.2
277.21561	19.7
304.35995	2.4
333.24173	8.6
351.18509	3.9
351.25266	76.2
352.25528	4.3
369.19113	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01859	3.0
55.05508	16.6
57.03436	10.7
57.07056	4.7
65.03957	2.3
67.05501	51.9
69.07066	21.9
70.73096	2.9
70.73478	4.0
71.04988	4.4
71.08614	4.6
75.04442	2.0
77.03918	2.1
79.05490	72.2
81.07053	60.4
83.04971	2.5
83.08638	9.1
85.06523	6.1
87.16230	1.6
91.05479	59.7
93.07038	96.5
93.52795	1.9
95.04951	6.7
95.08598	40.5
97.06528	5.1
97.10159	3.4
99.08074	6.2
105.07024	52.6
107.08589	60.0
109.06504	5.1
109.10166	16.2
109.34561	1.6
111.08117	2.9
113.09612	2.5
117.07019	12.9
119.08578	57.1
121.06502	1.8
121.09243	2.3
121.10134	45.4
123.08054	2.1
123.11696	5.1
128.06192	2.4
129.07016	11.7
131.08569	20.6
133.10123	49.0
135.08092	2.3
135.11687	47.4
137.05963	13.0
137.09624	2.4
142.07780	2.3
143.08537	8.0
145.10110	20.9
147.07979	2.8
147.11670	53.3
149.09622	2.8
149.13254	29.4
151.11133	3.8
157.10106	7.5
157.17856	1.8
159.11697	21.4
161.09613	4.5
161.13254	39.3
162.13666	1.8
163.11147	4.3
163.14806	11.8
163.34970	1.7
163.37325	1.6
165.12772	2.3
171.11668	12.7
173.13242	13.3
175.11176	5.8
175.14804	19.6
177.12709	3.5
179.14241	3.3
185.13261	11.6
187.14880	2.6
189.12737	3.3
199.14818	6.9
201.16379	2.1
203.14243	2.4
203.17824	2.3
207.13870	1.9
213.16431	4.9
215.17979	3.1
217.19481	5.5
231.17403	2.9
231.21060	8.1
241.19522	39.0
259.20575	100.0
260.20959	4.2
261.22226	2.7
277.18277	3.6
277.21631	20.5
333.24231	6.7
334.31891	1.7
351.21365	3.8
351.25269	69.8
352.25479	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65041	1.7
53.03931	3.1
53.21263	1.8
55.01863	4.4
55.05512	24.0
55.24881	1.7
57.03428	11.1
57.07062	4.0
58.64110	1.5
65.03924	2.6
67.05502	54.8
69.03414	2.1
69.07066	22.2
69.83714	8.6
70.06596	2.1
70.95536	1.8
71.05001	4.5
71.08604	6.1
73.06522	1.7
75.04488	3.0
77.81544	1.7
79.05489	74.4
80.05823	2.3
81.07052	85.8
81.07533	4.3
82.07376	2.4
83.04962	5.0
83.08623	8.3
84.08133	1.9
85.06518	4.2
91.04909	2.9
91.05477	56.8
92.05753	2.0
93.07039	100.0
94.07349	2.6
95.04957	6.3
95.07993	2.9
95.08598	41.2
97.06542	4.6
97.10151	4.0
99.08069	5.2
103.05401	1.8
105.07026	58.4
107.07889	2.9
107.08590	57.6
108.08916	2.1
108.74584	1.9
109.06517	11.1
109.10140	17.4
111.04404	7.7
111.08076	3.1
113.09588	3.6
117.07014	12.4
119.04881	2.2
119.08577	49.6
121.10133	45.1
123.08069	2.7
123.11701	3.9
125.05933	2.2
125.09643	2.7
129.06976	6.6
131.08565	22.3
133.10127	51.0
135.08038	3.8
135.10719	3.5
135.11693	49.4
137.05968	59.1
137.09552	3.7
138.06395	1.9
143.08551	8.8
145.10118	25.5
147.04326	2.5
147.10515	3.0
147.11678	45.8
149.09550	4.6
149.13239	27.1
151.07521	2.6
151.11163	4.2
155.10483	1.8
157.10104	11.3
159.11702	20.1
161.09576	5.3
161.13240	41.5
163.11174	6.5
163.14839	8.2
165.12735	3.0
171.11652	16.4
173.13283	9.7
175.11258	4.0
175.14836	20.0
177.12773	4.1
179.14351	2.7
185.13231	13.2
185.37654	1.8
187.14864	3.6
189.12695	4.8
199.14798	7.8
203.14270	3.0
203.17960	4.2
207.06433	3.1
213.16365	6.7
215.17999	2.4
217.15936	2.5
217.19539	4.0
221.15337	2.2
231.17381	7.2
231.21024	7.2
241.19513	33.2
249.18495	6.1
259.20572	95.7
260.20938	3.2
261.22067	2.0
277.17981	18.8
277.21576	18.0
295.18991	5.5
333.24081	9.0
351.21362	16.3
351.25259	62.8
352.25668	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	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.53555	0.4
55.01856	0.8
55.05500	1.5
60.04507	1.8
64.32191	0.4
67.05502	2.5
69.03415	0.8
69.07063	1.5
69.91450	3.0
70.06580	0.9
71.08623	1.2
72.21568	0.5
77.00899	0.6
79.05478	1.6
81.07062	4.9
83.04971	0.5
84.08148	0.8
84.33470	0.5
91.05470	1.9
93.07022	2.0
95.04990	0.8
95.08597	2.2
97.06516	0.8
97.10191	0.5
98.20808	0.6
99.08103	0.8
105.07017	1.6
107.08583	2.1
109.06506	0.9
109.10105	0.6
117.07034	0.6
119.04922	0.9
119.08574	1.0
120.08102	0.6
121.10109	1.1
123.11699	0.9
133.10135	1.2
135.08093	0.8
135.11732	1.3
137.05994	1.5
144.92819	0.5
145.10127	1.0
147.04436	0.7
147.11687	0.7
151.11159	1.1
159.11580	0.8
163.11118	0.7
175.03868	1.2
179.14214	0.6
185.06528	0.6
207.06548	1.8
215.11287	1.5
239.57919	0.6
243.14467	0.9
253.12852	1.9
259.20651	0.6
271.13950	2.8
277.21695	1.1
281.12933	0.5
325.25040	0.6
328.53702	0.6
333.19351	1.8
351.21399	100.0
352.21637	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	350.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01874	1.6
55.05511	5.9
56.05038	5.4
56.82608	0.7
57.03426	3.0
57.04327	0.6
60.04523	95.2
61.02929	2.5
65.03934	0.7
67.05502	9.1
67.39455	0.6
69.03429	16.6
69.07072	6.2
69.49857	4.2
70.06590	14.1
71.01347	0.9
71.05009	3.9
72.04516	1.7
72.08155	14.5
73.02927	1.3
74.06076	2.7
79.05502	5.4
80.05013	1.9
81.03419	2.6
81.07059	11.0
82.06593	2.6
83.04993	1.7
83.08624	3.1
84.04501	2.6
84.08138	7.0
85.02891	1.0
85.53008	0.7
86.09705	10.1
90.05544	1.3
91.05466	11.5
93.07044	7.1
94.06581	1.7
95.04931	1.0
95.08606	9.1
96.08150	1.0
97.02930	1.2
97.06546	1.2
97.10133	1.0
98.06040	0.8
99.04490	1.0
100.11259	1.6
103.05455	1.4
105.07018	3.7
107.08602	5.0
109.02893	1.0
109.06484	1.0
109.10168	2.8
110.07184	2.2
111.04424	1.0
111.65307	0.7
117.05551	1.2
117.07036	1.0
118.06511	4.2
119.04945	10.7
119.08606	4.3
120.08093	21.3
121.06461	0.9
121.10136	4.1
123.04401	1.2
123.11737	0.8
127.03893	2.5
129.10237	2.3
130.06526	1.9
131.08574	1.3
132.08101	1.9
133.10118	4.7
135.11719	2.0
136.07594	1.4
137.06029	1.9
143.11790	5.3
145.02887	0.8
145.06471	0.9
145.07603	13.8
145.10124	2.0
147.04427	9.1
147.08000	1.1
147.09172	22.3
147.11687	2.6
149.13271	0.9
153.12785	1.7
157.07590	2.1
159.09174	10.7
159.11658	1.0
161.10756	1.3
167.07076	1.1
171.11334	1.4
173.07126	1.3
173.10774	1.1
175.03891	12.4
175.08731	1.7
175.14825	4.4
179.06992	1.1
180.10150	8.6
185.10770	2.3
187.12360	1.0
189.10262	1.7
191.08148	100.0
192.08464	6.4
197.10768	1.0
199.08618	1.0
199.12154	0.9
201.10194	1.2
207.06528	24.7
213.10280	1.7
215.11894	1.4
216.07674	9.6
217.08017	0.8
229.07011	1.0
231.07899	1.3
231.11424	0.9
245.09438	0.7
248.08525	0.8
263.13971	6.7
266.24756	1.7
278.24805	6.2
279.23138	1.0
289.11761	3.1
291.10172	2.2
296.25839	5.7
307.12860	53.1
308.13159	4.4
314.26868	14.2
319.09705	2.9
323.04807	0.7
332.27933	29.7
333.14481	1.0
333.28308	0.8
350.13455	45.3
350.29001	60.6
351.13647	5.3
351.29337	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	350.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35768	2.1
52.90294	2.2
53.60334	2.1
55.05507	12.9
56.05021	2.5
57.03429	4.6
58.06599	18.5
60.04510	6.0
63.21238	2.6
66.92301	2.9
67.05495	18.1
67.78458	2.1
68.05019	14.6
69.03423	3.2
69.07059	14.1
70.06580	9.4
71.04985	11.0
71.51592	3.5
72.08163	6.2
78.82860	2.5
79.05488	21.8
80.05816	2.7
81.03427	3.8
81.07041	21.5
82.06561	8.4
83.04977	4.4
83.08631	2.9
84.08137	17.8
86.09697	12.5
91.05484	20.2
92.05781	2.7
93.07032	17.6
95.04973	7.9
95.08589	13.8
96.08124	100.0
97.06541	6.0
97.08939	3.5
98.09695	4.6
100.07590	3.2
105.07026	13.0
106.07389	2.9
107.04913	4.6
107.08581	10.4
109.06478	6.4
109.10146	6.2
110.07166	2.5
110.09676	2.5
112.07594	40.0
113.18463	2.1
117.07015	9.1
119.08551	9.3
120.08124	3.6
121.06510	3.4
121.10130	8.3
124.07568	7.7
126.09147	3.1
128.10721	8.8
129.06892	3.0
131.08530	7.8
133.10107	8.3
135.08047	8.7
135.11661	9.5
137.05986	12.6
137.09622	3.1
138.09114	21.7
142.27806	2.5
143.08554	2.9
145.10141	7.9
147.11720	6.4
149.09589	5.3
157.10106	4.7
159.11662	6.0
161.09570	3.3
171.11710	2.7
177.12714	3.9
186.88000	2.5
207.06490	3.9
211.92323	2.7
240.11816	3.0
245.18968	3.1
259.20609	4.0
273.18372	13.8
276.20395	3.7
282.55948	3.0
290.21036	14.1
291.19507	8.3
308.22086	9.6
350.19949	24.5
350.23318	68.1
350.28543	3.9
350.29233	3.3
351.21121	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	350.2075
Annotation	Phe Ala Leu
Peak:m/z	Relative Intensity
55.05498	0.9
56.05027	0.3
60.04521	0.6
69.03422	0.7
69.07079	0.6
70.06591	5.1
70.09988	0.7
70.10400	1.2
71.04964	0.4
71.06902	0.4
72.08166	1.8
74.06085	0.4
77.03883	0.4
77.41632	0.3
79.05499	0.6
81.03417	0.3
81.07059	0.5
84.04499	1.2
84.08158	2.9
86.09703	31.6
87.10030	0.5
91.05463	1.9
93.07035	1.3
100.11256	1.1
100.55074	0.3
103.05472	3.5
105.06999	0.4
110.07116	1.5
116.07059	0.4
119.04940	0.6
120.08099	100.0
121.08427	1.9
129.10246	0.9
132.10204	6.6
134.09581	0.4
136.07578	0.3
147.04416	0.8
157.13350	13.6
163.06274	0.5
165.45898	0.4
166.08624	2.0
175.03922	0.8
182.15417	0.5
185.12857	4.2
191.08195	0.8
191.11787	22.2
192.12151	0.7
203.13893	5.1
207.06561	1.3
210.14774	0.5
217.06140	0.4
219.11287	12.9
220.11765	0.3
227.67821	0.5
228.06564	1.1
231.07791	0.4
234.81296	0.4
277.23047	0.4
279.17035	1.3
344.31140	0.4
350.13324	0.4
350.15552	0.5
350.19147	2.3
350.23236	1.4
351.08719	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	350.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05498	1.1
56.05032	6.3
57.05822	0.6
58.06556	0.5
60.04226	0.8
60.04520	13.1
61.01152	2.0
67.05511	0.8
68.05000	0.6
68.35381	0.4
69.03413	1.6
69.07066	11.8
69.66425	2.8
70.02927	0.5
70.06584	15.9
71.06933	0.5
72.08155	5.6
74.06065	0.8
79.05477	1.4
80.54361	0.4
81.07050	0.9
82.07393	0.4
83.04965	0.5
84.04500	3.0
84.08138	5.7
85.02907	0.8
86.09700	100.0
86.99039	0.5
87.02694	1.0
87.05575	1.6
87.10040	1.6
88.03976	1.3
88.13742	0.4
91.05464	2.8
95.04949	0.7
98.06049	0.8
102.05538	1.2
103.05421	0.5
104.05318	10.3
107.04932	1.0
110.05983	0.5
110.07156	2.3
112.08694	0.6
115.08670	0.4
116.07098	0.6
119.04940	2.7
120.08120	2.2
121.02857	0.5
122.02750	0.8
123.04424	1.0
125.06040	0.6
125.10750	1.1
127.03871	0.6
128.10779	0.5
129.10231	3.5
130.04987	1.1
130.06482	0.5
132.04485	0.5
133.03200	7.8
135.04460	0.6
136.07562	1.2
137.05965	2.8
143.08138	4.5
144.81456	0.4
147.04404	1.9
147.11301	0.6
150.05829	26.6
151.03877	1.0
155.11809	0.7
156.07780	0.5
159.07777	0.5
165.98190	0.5
166.69984	0.4
168.10172	0.8
171.07674	0.5
173.12852	12.9
173.14282	0.7
174.13120	0.5
175.03867	2.3
179.03462	0.6
183.11258	0.8
183.15015	0.9
188.07098	1.6
189.08727	1.6
190.05351	1.3
191.08473	2.5
199.07314	0.4
201.06909	0.6
201.12331	16.5
201.14204	0.8
205.09750	0.7
207.06470	3.7
215.08232	0.8
219.08113	1.4
237.09021	31.5
238.09245	0.6
247.07310	0.5
311.79483	0.4
332.16464	1.0
350.09204	1.9
350.13464	2.2
350.17410	1.3
351.10385	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03946	0.5
55.01860	0.4
55.05505	5.0
57.03426	0.4
57.07059	1.5
59.05000	0.3
66.04005	0.3
66.44375	0.4
67.05499	4.1
69.07063	8.0
71.04978	1.0
71.08621	1.1
71.50704	0.4
79.05489	3.0
81.07053	7.1
83.04960	0.8
83.08617	3.6
83.66099	0.3
85.06538	0.9
85.25948	0.4
91.05457	1.5
91.14266	0.3
93.07037	4.6
95.04964	0.4
95.08601	7.6
97.06517	1.3
97.10172	0.9
99.08094	0.7
105.07003	2.2
107.08590	4.0
109.06516	10.3
109.10161	2.3
111.08070	2.0
119.08556	3.1
121.06494	0.5
121.10146	2.6
122.07273	0.9
123.08057	61.0
123.11707	1.4
124.08404	0.6
125.09608	0.7
131.08551	0.7
133.10135	2.2
135.08035	4.9
135.08998	0.4
135.11678	2.3
136.08806	0.4
137.09631	3.0
137.13191	0.7
145.10107	1.1
147.11682	1.7
149.09587	1.2
149.13208	1.7
151.11182	0.5
159.11646	1.1
161.13268	1.2
163.91975	0.4
165.12746	0.5
167.14372	0.6
173.13411	0.4
175.04047	0.3
175.14885	0.6
177.12778	0.7
179.14297	13.3
183.11673	0.4
188.64255	0.4
233.19011	0.6
263.20233	0.6
275.19992	1.2
281.21271	0.4
289.25211	1.0
293.21100	14.0
294.21643	0.4
303.26633	0.4
307.22729	0.7
313.25500	0.4
331.26318	3.1
349.27350	100.0
350.23807	0.6
350.27731	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	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.42769	0.4
53.03954	0.5
55.01874	0.7
55.05506	5.0
57.07059	1.5
64.35538	0.4
67.05505	5.0
69.07062	10.3
69.83803	1.9
71.04984	1.3
71.08607	0.8
71.71275	0.4
73.06573	0.6
76.98325	0.4
79.05496	3.6
81.07050	9.0
83.04985	0.8
83.08612	3.9
85.06522	0.7
91.05461	1.5
93.07040	5.3
93.26656	0.5
95.08595	6.6
97.06508	1.6
97.10175	0.9
98.20862	0.6
105.07019	2.6
107.08585	5.6
109.06509	12.0
109.10147	3.2
111.08059	1.7
119.08573	4.0
121.10134	3.5
122.07274	0.9
123.08058	65.5
123.11688	1.9
124.08390	1.3
128.72415	0.4
129.84967	0.4
131.08533	0.8
133.10114	2.4
135.08052	5.0
135.11684	1.7
137.09608	3.1
137.13231	0.9
145.10089	0.9
145.15681	0.4
147.11691	1.9
149.09633	1.3
149.13234	1.4
151.11198	0.6
159.11682	0.9
161.13237	1.4
163.11217	1.0
165.12772	0.9
173.13252	0.6
175.14967	0.6
177.12723	0.5
179.14294	18.2
193.15910	0.6
231.15906	0.6
233.18988	0.8
269.67279	0.4
275.20132	1.9
281.21060	0.6
289.25296	0.5
293.21075	16.7
294.21454	0.5
303.26862	0.6
307.22540	0.8
331.26324	3.4
349.27350	100.0
350.27823	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05271	0.3
55.05508	2.6
56.90440	0.3
57.03419	0.3
57.06797	0.3
57.07072	5.6
65.03933	0.4
67.05497	4.0
69.07065	3.1
71.01569	0.8
71.04992	0.5
71.08636	2.6
79.05481	2.8
79.59580	0.3
81.06592	0.4
81.07052	6.1
83.04968	0.5
83.08608	1.3
85.06535	2.1
91.05476	1.8
93.07043	3.1
95.04942	0.9
95.08604	6.3
97.06521	0.8
97.10151	0.7
99.08096	1.7
105.07027	2.5
107.08588	3.2
109.06513	18.4
109.10159	2.8
111.08045	0.5
117.06973	0.4
119.08581	2.5
121.06471	0.4
121.10126	3.0
122.07288	1.9
123.08061	26.8
123.11696	1.0
124.08305	0.3
131.08571	1.1
133.10107	1.4
135.08057	3.5
135.11673	1.0
136.08910	0.3
137.05998	0.3
137.09601	0.9
137.13243	0.3
143.08606	0.5
145.10136	1.5
147.07988	0.4
147.11682	1.1
149.09619	0.5
149.13232	0.6
151.14795	0.4
155.08565	0.4
157.10126	0.7
159.11737	0.6
161.13280	0.6
165.12732	0.7
167.14336	0.7
169.10130	0.3
171.11636	0.4
171.42987	0.3
171.46634	0.3
173.13278	0.7
175.14876	0.6
179.14301	100.0
180.14638	2.6
183.11626	0.2
185.13293	0.3
187.14886	0.7
188.06619	0.3
193.15883	3.0
209.13333	0.4
213.16360	0.4
233.19064	0.6
289.25311	0.5
293.21283	0.8
331.26270	3.4
349.27374	81.0
350.27725	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.4
55.00598	1.4
55.01867	9.2
55.05510	16.1
55.50109	1.3
56.96556	5.7
57.03429	12.2
57.07064	2.3
59.05022	1.3
65.03922	3.2
65.25004	1.4
67.00479	1.5
67.05500	38.1
69.03419	1.7
69.07069	32.2
70.06587	1.4
71.04981	3.3
71.29402	1.4
71.31268	2.7
79.05489	52.2
81.03407	12.8
81.07051	100.0
83.04949	6.2
83.08613	7.8
85.06535	2.5
91.05476	39.7
91.56619	1.5
93.07034	35.0
95.01345	11.5
95.04967	12.2
95.08603	32.9
97.06522	15.3
97.10175	2.8
99.08070	2.2
103.05457	1.6
105.06313	3.0
105.07021	53.1
107.04939	23.0
107.08594	17.3
109.05805	2.6
109.06516	34.9
109.10143	7.4
111.08064	3.9
115.05421	2.7
117.07020	14.2
119.08572	32.1
120.08106	1.3
121.06511	4.3
121.10143	11.8
123.04435	2.2
123.08108	8.1
123.08847	1.3
123.11722	2.5
125.09584	2.2
128.98541	1.4
129.06990	3.2
131.08553	18.2
133.06503	1.9
133.10121	28.6
135.08018	4.0
135.11702	6.5
137.09612	3.0
139.11024	1.3
143.08553	3.3
145.10106	16.3
147.08055	1.5
147.11684	15.8
149.09598	5.8
149.13260	10.2
151.07433	1.6
151.11160	2.2
155.08559	2.5
157.10229	3.3
159.11684	9.8
161.09589	1.7
161.13248	5.0
163.11121	4.2
163.14832	2.2
165.09135	2.4
165.12733	2.0
169.10107	2.9
171.48203	1.6
173.13272	3.4
175.11244	3.3
177.12721	5.9
179.14313	11.8
185.13205	1.7
187.11128	3.7
187.14851	2.1
195.13736	1.9
197.13341	1.6
201.12822	1.9
219.17500	1.7
229.07516	1.4
229.19615	1.5
239.17943	2.2
243.09007	3.8
247.20554	7.2
257.19028	5.7
261.10144	1.5
275.20071	40.8
331.15784	10.2
349.13135	1.7
349.16971	21.1
349.23721	24.7
349.27606	2.7
367.17825	4.7
372.18365	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01863	5.6
55.05503	16.5
57.03433	17.5
57.07067	3.7
58.45951	1.6
59.01648	1.6
65.03945	2.3
67.05499	40.6
69.03422	3.9
69.07069	24.7
69.54277	12.9
70.06576	4.1
71.04965	3.2
79.05488	34.9
81.07045	45.6
83.04972	7.9
83.08625	8.2
84.08128	2.8
85.06550	2.8
86.09664	2.8
91.05471	32.1
93.07034	40.2
95.04977	12.9
95.08604	29.7
97.06530	6.2
97.10154	4.0
99.04443	2.7
105.06320	2.9
105.07019	40.9
107.04956	11.9
107.08590	30.2
109.06512	15.1
109.10133	13.0
111.08076	2.8
117.06996	12.4
119.08569	22.6
121.06522	11.7
121.10126	13.2
121.72690	1.9
123.04432	2.0
123.08056	6.1
123.11678	4.2
125.09658	2.1
128.43390	1.6
129.06961	4.0
131.08554	19.8
133.06439	2.9
133.10118	28.4
135.08040	6.6
135.11708	7.8
137.05931	2.9
137.09703	4.1
143.08521	5.6
145.06488	4.0
145.10118	20.7
147.08032	5.1
147.11702	16.0
149.09634	10.6
149.13261	5.1
151.11208	5.1
155.08536	2.4
157.10133	4.9
159.08116	3.2
159.11681	12.6
160.19444	1.6
161.09656	7.1
161.13242	2.3
163.11212	8.6
163.14882	2.0
169.10139	3.6
171.11711	2.7
173.09628	2.1
173.13182	10.6
175.11168	2.7
175.14882	2.1
177.12758	3.2
183.11739	2.3
187.11162	4.9
191.14278	4.1
193.08569	2.1
197.13312	2.7
199.14825	1.9
201.12726	2.9
207.13770	2.6
215.14099	2.6
215.17892	1.7
219.13832	4.6
239.17989	6.6
247.20601	6.3
257.18933	16.2
271.16959	2.0
275.20041	100.0
276.20514	5.4
293.21091	6.4
330.18488	1.7
349.19824	34.3
349.23755	32.1
350.24295	2.3
358.50439	2.1
360.67416	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
54.05736	0.9
55.01877	7.9
55.05280	1.3
55.05510	18.1
55.74660	1.2
56.95107	1.1
57.03437	20.3
57.07059	3.4
65.03928	1.3
67.05506	31.5
69.03420	3.0
69.07066	18.9
69.70862	7.6
71.04976	3.3
79.05492	30.3
81.03412	1.3
81.06605	2.4
81.07057	41.1
81.07536	2.1
83.04991	8.0
83.08616	6.9
85.06516	3.4
91.04906	2.1
91.05474	34.4
93.07044	38.2
95.04964	10.1
95.08608	23.9
97.06522	7.2
97.10167	4.7
98.20753	1.4
105.04555	1.0
105.06318	2.0
105.07027	37.0
107.04960	12.0
107.08588	27.3
109.06519	12.2
109.10159	11.1
111.08057	1.9
115.05447	1.3
117.07014	13.4
119.08582	25.1
121.06505	14.4
121.10144	13.0
123.08061	7.6
123.11672	2.4
128.06264	2.0
129.06981	5.5
131.07622	1.7
131.08569	24.4
133.06456	4.1
133.10141	22.0
135.08049	5.8
135.11685	6.7
137.09613	3.1
139.11134	1.4
141.06979	1.9
143.08542	5.1
145.06494	2.2
145.10112	22.7
145.11179	2.1
147.08099	2.8
147.11705	14.5
149.09628	4.4
149.13254	3.1
151.11179	5.3
155.08517	2.4
157.10127	6.0
157.99529	1.2
159.08041	3.4
159.11699	17.5
161.09599	3.2
161.13329	5.3
163.11180	7.8
169.10120	3.0
171.11673	4.3
173.09615	3.9
173.13264	9.1
175.11166	3.1
175.14848	2.0
177.12733	4.2
179.14294	1.5
179.16096	1.1
183.11670	4.8
185.13280	3.9
187.11148	2.8
187.14806	1.2
187.93115	1.4
189.12778	2.2
191.14284	3.4
193.12292	1.4
197.13222	3.3
199.14891	1.8
201.12775	3.3
201.16307	1.5
203.14334	2.0
207.13799	4.5
213.16408	1.7
215.14291	1.8
215.17897	3.1
219.13899	2.6
219.17471	4.9
229.19441	3.8
233.19043	1.4
239.17943	6.9
247.20593	4.6
257.19025	22.4
275.20062	100.0
276.20294	1.7
293.21045	6.7
349.23727	37.1
350.24225	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03936	2.3
55.01869	6.9
55.05510	17.3
56.96571	0.7
57.03158	1.0
57.03436	17.8
57.07080	3.3
57.45695	0.4
65.03940	1.6
67.05504	36.8
68.05825	0.5
69.03431	2.8
69.07065	22.1
71.00127	1.4
71.05002	2.7
77.03893	0.8
79.05490	31.7
80.05831	1.2
81.03432	1.3
81.07053	45.1
82.07365	1.2
83.04984	8.5
83.08611	7.7
85.06527	2.2
91.05479	32.8
92.05807	0.6
93.07039	39.2
94.07362	0.7
95.04965	12.5
95.08601	26.8
96.08920	1.1
97.06535	5.6
97.10155	3.0
98.98443	1.8
99.08076	0.9
103.05470	0.9
105.04548	0.6
105.07027	35.2
106.07297	1.0
107.04957	11.2
107.08589	25.8
109.06512	15.8
109.10152	11.0
111.08076	2.8
115.05453	0.9
116.06214	0.8
117.07015	12.8
119.08572	20.2
121.06493	15.9
121.10133	11.6
123.08061	6.4
123.11719	2.8
125.09635	2.0
129.06996	4.1
130.07759	1.2
131.04970	0.6
131.08562	22.5
131.09538	1.2
133.06473	4.4
133.10133	22.2
135.08051	7.6
135.11693	8.0
137.09619	3.4
141.06949	1.9
142.07776	0.7
143.08559	4.1
144.09335	0.8
145.06493	2.1
145.10120	20.2
147.08028	4.4
147.11678	13.4
149.09615	8.2
149.13240	5.5
151.11189	6.2
155.01054	2.2
155.08566	1.7
157.10136	3.3
159.08069	3.1
159.11676	11.6
161.09631	4.1
161.13248	4.7
163.11165	8.6
163.14804	1.2
165.12743	1.3
169.10118	1.8
171.11656	3.3
173.09610	3.2
173.13277	6.4
175.11186	3.2
175.14880	0.9
177.12775	3.9
179.14304	1.3
183.11673	2.8
185.13290	1.7
187.11171	2.9
187.14783	2.1
189.12682	1.4
191.14288	4.1
197.13182	2.6
199.14885	1.2
201.12750	3.7
201.16362	0.7
205.19531	0.9
207.13803	3.3
211.14806	1.0
213.16505	1.0
215.14326	1.4
215.17931	2.0
217.15764	0.9
219.13869	4.4
219.17365	2.6
221.15373	0.7
229.15784	0.7
229.19478	3.3
231.17339	1.2
233.15364	0.9
233.19002	1.6
239.17970	4.2
247.20564	5.5
252.85950	0.6
257.18982	15.1
258.19339	1.2
275.20053	100.0
276.20383	5.9
293.21088	5.8
294.21426	0.6
331.15891	0.6
349.23703	28.4
350.23950	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01874	5.4
55.05508	14.8
57.03436	15.6
57.04039	0.7
57.07050	2.9
65.03927	1.5
67.05501	30.2
69.03445	1.6
69.07069	19.4
69.25665	6.2
69.26077	1.8
71.04974	2.4
77.03899	0.8
79.05487	26.3
81.03407	1.7
81.07050	34.0
81.07527	1.8
82.07375	1.1
82.92446	0.7
83.04970	7.0
83.08616	5.3
85.06538	1.3
91.05481	22.1
92.05820	1.0
93.07038	28.7
95.04967	9.9
95.08604	21.6
97.06528	4.0
97.10161	2.7
105.07024	27.9
107.04943	10.6
107.07885	1.1
107.08587	20.2
109.06512	11.4
109.10160	8.9
111.08114	1.6
117.07017	9.5
119.08578	15.7
121.06493	13.2
121.10146	9.1
123.08067	5.1
123.11669	2.8
125.09618	1.0
128.06137	1.1
129.07007	1.8
131.08554	16.8
133.06450	2.7
133.09120	1.0
133.10121	18.2
135.08032	5.3
135.11700	6.0
137.05954	1.2
137.09584	2.2
141.06970	1.0
143.08546	3.4
145.06482	2.0
145.10117	13.7
146.10510	0.8
147.08015	3.7
147.11682	13.4
149.09604	6.4
149.13231	4.4
151.11172	5.7
155.08542	1.9
157.10138	4.3
159.08044	3.2
159.11681	10.3
161.09673	4.3
161.13234	3.5
163.11168	7.6
165.09137	0.7
169.10069	2.0
171.11676	2.9
173.09624	2.9
173.12216	0.6
173.13313	6.5
175.11174	3.4
175.14836	1.0
177.12727	2.9
183.11713	2.6
187.11157	2.2
187.14763	1.1
189.12752	1.6
191.14281	3.1
197.13252	2.5
201.12714	3.8
207.13829	4.2
215.14291	1.3
215.17943	2.1
219.13803	5.0
229.19551	4.2
231.17480	1.3
233.15565	1.1
233.19038	1.3
239.17909	4.6
247.20525	4.7
257.18991	16.2
259.98068	0.7
275.20050	100.0
276.20447	7.6
293.21167	7.7
349.23718	31.9
350.24075	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
54.62712	1.2
55.01857	5.7
55.05513	18.4
56.96306	1.9
56.96565	28.9
57.03436	16.7
57.07056	3.5
67.05502	33.8
69.03418	4.4
69.07064	16.3
69.84627	4.8
69.85032	2.4
71.04963	2.4
71.95258	2.6
72.96017	2.2
79.05071	2.1
79.05489	25.3
81.03408	1.6
81.07053	39.5
83.04974	7.1
83.08612	4.2
85.06546	1.3
86.09747	1.1
90.85551	1.1
91.05481	25.8
93.07041	33.0
95.04984	9.7
95.08611	23.4
97.06519	4.4
97.10131	3.0
105.03372	3.0
105.07026	30.6
107.04961	11.2
107.08582	17.4
109.06533	12.3
109.10159	9.8
110.97583	1.6
111.08057	2.7
115.05441	1.5
117.06989	6.9
119.08586	15.5
121.06504	16.0
121.10145	10.8
123.08052	7.0
123.11682	2.1
125.09641	1.5
128.98611	1.5
129.06918	2.3
131.08569	19.8
133.06493	4.3
133.10132	21.6
133.96576	1.2
135.08043	5.9
135.11745	6.0
137.05969	1.4
137.09561	4.1
141.05527	1.2
141.06934	1.5
143.08528	2.4
145.06538	1.5
145.10143	14.8
146.99652	3.2
147.08061	3.6
147.11693	12.6
149.05966	4.0
149.09569	8.3
149.13239	2.8
151.07518	1.3
151.11166	5.0
155.03880	1.4
155.08505	1.7
157.10098	2.3
159.07994	3.1
159.11668	9.3
161.09590	5.0
161.13239	3.4
163.11139	5.8
163.14851	1.9
165.12697	2.3
167.03433	3.5
169.10236	1.9
171.11678	5.2
173.04826	1.6
173.09604	2.9
173.13316	6.5
175.11183	2.7
175.14804	1.6
177.12741	3.0
179.14270	3.2
181.05347	1.6
181.45244	1.3
183.11690	3.5
185.04820	2.6
185.13190	1.6
187.11115	2.5
187.14912	1.4
189.12856	1.3
191.14236	3.7
194.84555	1.2
195.06845	1.9
197.13187	1.8
199.06430	5.8
201.07877	2.3
201.12726	3.6
203.05908	1.7
205.19614	1.5
207.13770	2.8
211.06477	4.3
213.07979	15.6
215.18076	1.6
217.07436	8.9
219.13759	2.9
229.07474	26.1
229.19481	3.0
231.09026	17.0
233.19139	2.3
235.06032	4.3
236.09572	2.0
239.17938	4.9
243.08987	8.4
247.08498	18.2
247.20497	4.5
252.08952	4.3
254.10750	2.1
257.19000	14.5
261.10092	6.1
267.09116	1.7
269.10641	2.8
270.10095	1.6
275.20059	100.0
276.20462	2.1
285.10034	1.8
293.21173	6.8
299.09262	1.4
331.15814	5.9
339.55743	1.2
349.16946	30.4
349.23663	28.8
349.27475	3.1
367.17926	11.7
372.18378	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.1
55.01875	11.4
55.05510	57.0
55.35773	1.8
56.91168	1.7
56.96569	14.7
57.03437	21.0
57.07089	2.5
65.03949	3.0
65.38761	1.8
67.05502	71.4
69.03437	6.9
69.06731	2.5
69.07069	27.2
70.98331	5.7
71.04983	6.8
74.07050	1.9
77.03922	2.3
79.05492	100.0
81.03412	7.5
81.07053	65.7
83.04979	24.0
83.08608	13.9
85.06516	3.7
91.05474	56.0
91.06030	3.3
93.07039	73.4
95.01320	2.2
95.04962	16.0
95.08607	35.3
97.06522	10.2
97.10171	15.3
99.08043	1.7
103.05466	3.0
105.04601	2.7
105.06312	2.9
105.07027	56.3
107.04294	3.5
107.04951	30.2
107.08586	61.5
109.06521	13.1
109.10145	24.7
111.08089	7.3
117.07014	21.0
119.08577	37.2
121.06494	5.5
121.10139	23.8
123.08056	6.0
123.11719	6.4
125.09608	14.6
129.07024	4.8
131.08562	26.7
133.10127	34.0
135.06491	1.9
135.08028	7.6
135.11713	9.3
137.09621	3.5
138.76402	1.8
141.07050	2.4
143.08559	3.9
145.06551	1.7
145.10124	20.8
146.99692	2.4
147.11678	22.7
149.09615	48.2
149.10780	3.7
149.13248	4.5
151.11230	2.4
153.09129	3.9
155.08580	2.3
157.10146	3.1
159.08147	1.8
159.11714	12.7
161.09694	2.5
161.13225	8.7
163.11183	7.0
163.14819	4.4
165.12822	1.8
169.10130	2.8
169.12286	3.1
171.11681	4.5
173.11862	3.7
173.13272	10.7
175.14784	2.0
177.12817	2.5
179.14299	7.3
183.11703	5.3
187.11165	3.8
189.11234	4.5
189.12851	2.3
191.14313	2.9
197.13254	2.2
209.10347	1.9
209.15384	5.5
213.07893	3.3
217.07578	4.0
219.13683	1.9
229.07439	5.6
229.19547	3.2
231.09042	7.4
239.18011	3.3
243.09167	2.5
247.08542	7.5
247.20583	5.9
257.18991	9.1
261.10120	2.9
274.12772	1.7
275.20035	62.9
302.66553	1.9
313.10812	4.2
317.09113	4.2
331.12009	3.6
331.15869	6.5
349.16977	13.9
349.23679	40.7
349.27359	3.1
367.17783	6.2
372.18488	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.4
55.05507	20.6
57.03436	37.2
57.07068	5.6
65.03951	4.5
67.05181	4.1
67.05503	45.3
69.07053	19.4
69.33218	10.1
69.33639	16.0
71.74513	3.0
79.05491	45.4
80.05839	3.0
81.07047	48.7
83.04958	4.3
83.08604	11.1
84.08090	3.4
85.06540	10.9
86.61263	2.8
91.05477	63.7
93.07035	43.5
95.04961	13.4
95.08607	29.6
97.06523	8.6
97.10162	4.2
99.04444	7.2
105.07027	41.7
107.04918	8.0
107.08604	27.5
108.05923	2.5
109.06507	18.4
109.10135	9.8
111.08104	4.6
113.06225	3.1
117.06996	18.0
119.08563	30.9
121.06529	5.7
121.10131	16.1
123.08038	10.5
129.06950	3.8
131.08571	25.6
133.10132	21.0
135.08040	7.0
135.11699	10.7
137.05894	4.6
137.09627	3.5
141.06903	3.3
143.08624	4.1
145.10120	20.5
147.11697	11.9
149.09595	5.9
149.13202	2.8
153.12700	4.1
159.11673	16.0
161.13246	7.1
163.14748	3.2
171.11674	4.4
173.13274	7.2
177.12685	4.6
179.14247	4.5
185.13223	4.8
201.16356	7.8
203.14275	5.6
219.17433	100.0
220.17827	3.8
243.09033	3.2
257.19022	10.1
275.20093	35.0
349.23740	36.5
349.27338	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	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
55.05503	6.6
57.03428	4.9
59.79197	1.2
67.05499	11.8
68.05019	1.5
69.03432	1.4
69.07070	7.1
69.97706	1.2
70.06587	2.6
71.04977	3.5
71.05357	1.5
71.60450	2.2
72.08136	1.7
79.05490	10.9
81.07050	16.5
83.04985	2.7
83.08609	2.3
84.04502	1.6
84.08144	2.5
86.09702	2.8
91.05479	11.9
93.07034	11.2
93.16011	1.2
95.04948	3.2
95.08607	9.2
96.08126	4.7
97.06537	3.5
102.76068	1.3
105.07021	13.1
107.04958	3.7
107.08585	8.9
109.06501	5.2
109.10153	4.4
111.08039	1.8
112.07592	2.2
117.07018	5.3
119.08568	8.3
121.06497	1.8
121.10140	4.9
122.01322	1.1
123.08066	1.7
123.11688	1.6
131.08607	6.2
133.06511	1.8
133.10139	7.6
135.08069	3.0
135.11700	1.8
137.05809	3.3
137.09552	1.5
140.72691	1.2
143.08586	1.6
145.10088	6.7
147.11655	3.5
149.09608	3.5
149.13255	2.2
155.01009	2.0
157.10118	3.0
159.11696	5.7
161.13156	1.6
163.11075	2.7
168.82526	1.4
171.11659	2.2
173.13350	3.0
183.11807	1.9
186.80597	1.2
220.60051	1.4
229.19545	2.5
230.28481	1.4
235.13141	1.7
236.02171	1.4
239.18062	2.3
247.20369	1.4
253.12643	2.4
257.18979	4.6
275.20041	14.7
349.19876	100.0
349.23801	13.3
350.19635	2.0
350.23401	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	349.2369
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03941	11.3
53.96703	3.6
55.01859	9.5
55.05515	35.8
55.34752	4.3
57.03438	24.0
67.05502	63.0
69.03415	9.8
69.07075	29.4
70.06577	7.4
71.05006	6.4
79.05492	91.7
81.03409	7.3
81.07052	65.7
83.04979	6.2
83.08627	16.3
84.04491	5.2
84.08133	8.3
85.06496	5.2
86.09724	10.3
91.05476	59.5
93.07043	68.0
95.04955	16.8
95.08601	41.1
97.06528	21.3
97.10152	16.9
98.98462	8.9
105.07027	77.0
107.04934	23.4
107.08595	100.0
109.06518	12.0
109.10162	22.3
110.07159	5.5
111.08063	5.9
117.07027	24.2
119.08586	47.4
120.08079	11.0
121.06503	8.3
121.10147	20.4
123.11674	4.7
125.09639	13.0
129.07056	6.2
129.10248	5.3
129.83516	4.1
131.08591	30.1
133.10106	35.9
135.08015	9.2
135.11681	11.7
140.05721	4.9
141.06984	7.7
141.62550	4.6
144.25560	4.0
145.10109	75.0
147.11679	39.7
149.09627	27.0
149.13210	7.3
149.24957	4.2
151.11215	4.3
155.01045	9.8
157.10104	5.9
159.11684	32.9
161.13242	12.3
163.11174	11.1
165.09088	5.9
169.10089	6.5
171.11716	8.9
171.64723	4.1
173.13268	11.3
175.14790	4.6
177.12697	5.0
183.11627	9.4
185.13280	10.4
189.11227	12.0
195.13770	4.9
197.13216	7.8
203.14384	7.2
219.17464	5.1
229.44720	5.7
232.63248	4.8
239.17937	14.2
257.18979	46.5
275.20078	65.5
304.54254	4.9
331.22696	5.4
349.20023	8.9
349.23764	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	3.2
56.96561	3.8
58.20549	2.3
58.99861	6.8
68.01249	3.6
71.50829	3.8
77.00887	5.9
81.53425	2.8
84.04490	4.8
84.08144	10.3
85.01395	7.3
94.72540	2.9
95.01920	3.6
103.02449	42.8
105.07081	3.6
109.01392	3.8
113.00822	3.1
117.04000	29.3
119.01948	15.6
121.03490	30.0
123.00711	2.7
127.02370	14.7
129.03987	8.3
129.10201	7.3
131.01912	35.6
135.05031	35.6
136.06036	3.6
137.02951	8.1
140.05565	3.9
143.01852	3.6
143.05501	5.5
145.03465	100.0
147.01367	13.3
147.05032	17.2
147.11272	4.2
149.02971	14.8
157.03494	3.6
161.02957	4.5
161.06592	8.2
163.04572	45.5
168.05084	5.7
169.01266	5.2
169.03525	7.0
171.01402	5.5
171.05029	71.5
173.02953	7.8
173.06622	6.7
175.04449	3.3
178.84109	2.7
181.03426	12.3
187.04527	33.6
189.02444	13.3
189.06090	29.9
194.06741	5.3
197.02927	21.5
199.00952	2.8
199.04523	45.4
201.02399	3.0
205.05638	4.2
207.03412	3.3
212.83986	3.1
213.02487	4.7
215.00301	4.1
215.03984	30.9
217.01933	6.8
217.05707	5.7
222.06041	5.6
225.02373	19.1
233.05037	6.2
241.01935	8.0
243.03484	51.8
245.01489	8.4
259.02875	4.0
261.04507	4.8
269.01422	8.6
277.03989	5.3
287.02377	13.8
305.03601	4.9
313.00476	4.7
331.01501	17.3
331.04938	4.6
349.02444	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	349.025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10567	2.1
58.99855	5.4
71.53280	1.9
74.77441	1.9
77.00896	2.8
77.54209	1.7
84.08125	6.8
85.01394	4.5
101.00864	2.8
103.02444	34.2
113.00871	4.9
115.02480	1.9
117.03990	30.7
119.01927	19.1
121.03487	24.3
127.02383	10.7
129.00327	1.7
129.03972	7.6
129.10258	2.0
131.01915	33.4
131.60690	1.5
135.05045	34.6
137.02959	7.0
143.01918	4.2
143.05562	6.9
145.03459	100.0
147.01360	14.1
147.02133	1.3
147.05011	12.8
149.02948	17.8
153.03967	2.8
155.05542	2.3
157.03500	2.7
161.02960	7.2
161.06645	8.6
163.04535	40.9
166.08594	2.1
168.05101	5.9
169.03438	6.2
171.01414	4.6
171.05029	80.0
173.02879	8.4
173.06595	6.3
175.00885	2.5
181.03471	11.8
186.06168	2.1
187.00917	2.2
187.04524	30.3
189.02429	13.0
189.06079	28.2
190.06062	1.7
191.04002	5.2
193.02025	3.7
194.06602	3.9
197.02946	23.9
199.00926	2.0
199.04533	44.5
200.04588	2.7
201.02399	4.2
207.03476	5.1
213.02397	2.8
215.03983	33.5
217.01913	4.4
217.05614	3.1
220.01620	2.0
222.06094	3.4
223.00978	2.0
225.02400	16.6
233.05107	5.3
235.02950	3.0
238.05699	3.3
241.01917	6.7
243.03487	47.9
245.01459	12.4
248.89711	2.0
251.02576	2.0
259.03018	3.3
261.04550	7.6
263.02499	2.1
266.05240	3.7
269.01370	10.4
277.04019	2.4
284.06113	2.6
287.02438	21.2
305.03476	4.6
305.18634	1.9
313.00412	6.7
331.01385	19.1
332.01236	1.8
349.02332	12.2
349.11087	3.0
350.02658	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	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33987	5.7
55.05508	30.6
57.03434	15.4
60.04509	24.6
63.39625	5.5
67.05504	77.2
69.07064	19.2
69.76571	33.0
70.06596	9.8
79.05493	21.5
81.07051	57.1
83.04990	5.7
83.08605	17.7
91.05475	21.0
93.07053	32.9
95.08614	22.9
97.06563	7.5
97.10171	10.8
105.07047	12.5
107.08594	15.0
109.10153	58.2
111.08027	5.4
119.08578	6.8
121.10132	7.6
125.09634	14.2
131.08531	8.2
133.10168	11.7
135.11674	9.4
136.06197	8.2
137.09729	7.9
149.13304	10.6
151.11214	7.7
155.10666	11.3
159.11703	7.5
163.10986	7.5
173.11734	100.0
173.13188	9.0
175.14941	6.7
177.12871	6.9
179.14349	6.9
189.11194	18.0
195.13811	20.6
213.14799	10.0
277.21600	21.9
295.22629	13.0
348.81979	5.6
349.19171	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	348.2166
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
50.40344	0.7
55.01840	1.0
55.05499	4.0
56.05022	1.6
56.96548	1.2
57.03421	0.9
58.73892	0.7
60.04524	4.2
65.03951	0.9
66.79994	0.8
67.05491	7.1
68.77005	0.7
69.03417	1.0
69.07064	4.3
70.06590	5.5
70.11632	2.6
71.04963	2.0
72.08141	3.3
79.05489	4.2
81.03399	0.9
81.07051	9.2
81.40308	0.8
83.08620	1.3
84.04494	1.8
84.08123	2.6
85.06539	1.0
86.09718	4.0
86.10186	0.9
89.03892	0.8
91.05457	7.1
93.07034	3.7
94.06567	1.0
95.04971	1.6
95.08596	3.6
97.06529	1.8
98.09673	0.8
103.05470	3.7
105.07016	5.2
107.04949	1.3
107.08569	2.4
108.08094	1.5
109.10146	4.3
110.06010	1.9
110.07154	1.3
111.04444	0.7
115.05449	2.4
117.06985	2.6
118.06525	1.1
119.04958	1.8
119.08568	1.4
120.08085	4.1
121.06507	0.9
121.10146	1.1
122.06001	1.2
123.00742	2.1
123.04440	7.2
128.06216	2.7
129.07002	11.3
129.10214	1.9
131.04913	9.3
131.08568	1.5
133.06500	2.9
133.10101	2.1
135.04420	1.4
135.11690	0.8
136.06175	5.3
136.07526	0.9
137.05951	6.2
143.04927	2.4
143.08517	3.5
145.06480	4.1
145.10107	1.1
146.06000	2.5
147.04453	4.0
148.05095	1.1
148.07538	2.3
149.05974	17.2
152.07083	1.2
154.08643	1.0
154.12251	1.1
157.06477	7.8
159.08009	1.5
160.05199	2.8
161.05966	15.2
162.06696	0.9
163.03928	4.4
163.07516	3.3
164.07053	51.6
165.07338	1.2
166.08598	1.8
168.13893	1.8
169.01300	2.8
169.06497	0.8
171.08000	4.0
173.05974	8.8
174.06766	0.8
175.07533	34.1
177.05424	1.0
183.08040	1.6
186.14880	1.6
187.07573	4.2
189.09129	5.4
201.09087	1.8
201.46515	0.8
202.58339	0.9
213.09221	0.9
285.18353	0.9
304.18179	1.5
312.25296	0.9
313.17923	6.9
330.26315	1.7
331.19058	7.3
348.21671	100.0
349.21964	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	348.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01444	2.2
55.01857	3.3
55.05514	2.6
55.79924	2.4
56.05038	4.3
58.06585	2.6
60.04518	3.8
61.01140	2.6
63.14950	2.5
63.75817	2.1
65.03901	3.0
70.06583	15.1
71.51201	4.4
72.08147	9.8
74.06071	10.9
79.05507	3.1
84.04502	12.6
84.08150	12.7
85.02881	2.3
86.09715	19.5
88.03996	4.2
91.05472	22.5
92.05795	3.1
93.03410	7.8
98.06044	2.5
100.07622	4.1
101.07147	3.4
102.05507	4.0
105.07023	10.0
105.82463	2.5
110.07138	4.2
111.04436	10.1
115.05489	16.5
117.07013	33.0
119.04929	12.7
120.05357	2.9
120.08093	8.1
123.04379	3.0
125.05952	19.9
127.22035	2.4
129.06638	3.8
129.10249	4.1
133.06491	10.0
136.06175	17.3
136.07579	6.0
137.05966	32.2
138.06366	6.0
143.04918	8.7
144.06532	3.0
145.06477	17.1
147.04382	14.3
149.05986	5.0
150.05515	2.8
151.03944	7.2
151.07562	8.5
153.05461	74.9
161.05963	19.7
163.03883	3.4
163.07533	100.0
165.05470	93.0
165.06723	3.9
171.07719	4.2
177.05502	7.3
180.10172	19.8
183.08159	3.1
189.05452	48.9
189.08595	5.9
190.05728	2.7
195.06516	52.1
207.06522	82.9
210.06805	2.9
211.07509	8.3
217.08174	5.1
221.06007	3.4
225.09174	5.6
231.11159	2.4
239.07043	4.0
253.08699	4.3
271.09604	26.2
280.07849	5.1
304.86615	2.8
313.10712	17.8
331.11874	6.1
348.07101	2.4
348.13861	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	348.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05512	1.2
56.05037	2.2
57.03418	0.9
58.99599	0.5
60.04529	1.1
61.01143	0.8
65.03938	4.6
67.05495	0.4
68.82163	0.5
68.99793	0.9
69.07056	1.5
70.06592	8.5
70.34415	0.4
71.04140	0.7
71.04464	0.9
72.08154	7.8
74.06077	1.5
77.03952	0.5
79.05490	2.2
81.07059	3.8
83.04926	0.5
83.06080	0.6
84.04500	6.2
84.08145	9.6
84.10013	0.5
85.02900	0.6
85.08467	0.6
86.09704	13.0
87.02683	1.0
87.10050	0.5
88.03986	1.0
91.04907	0.9
91.05476	13.7
93.03408	10.4
93.07033	1.4
95.04957	1.8
96.08804	0.4
97.02920	0.7
102.05540	1.1
102.95953	0.5
103.05457	2.4
104.05337	1.2
105.00082	0.5
105.07033	1.3
107.04955	3.3
109.02917	0.6
109.06520	1.5
110.03645	1.9
110.07162	5.2
110.09665	0.5
111.04443	21.7
112.04809	0.8
112.60454	0.5
115.05441	1.1
115.08718	0.9
116.07111	0.9
117.03368	1.3
118.06565	0.9
119.04940	9.0
120.08095	3.4
121.06512	6.9
122.02741	2.9
123.04429	2.1
124.05200	0.7
125.05989	37.4
129.07021	0.5
129.10226	6.4
130.05051	1.0
130.10533	0.6
132.01120	0.7
133.02888	1.3
133.06502	1.3
134.03592	1.5
134.05960	0.8
135.04411	9.7
135.08028	0.8
136.05159	1.1
136.06175	8.9
136.07571	2.4
137.05971	25.2
138.06360	1.0
143.04944	1.1
144.08095	1.5
147.04422	2.1
149.05975	100.0
150.06766	12.5
151.06418	0.9
151.07542	7.9
153.05461	94.3
154.05753	1.8
155.11838	2.3
156.07726	0.6
159.04741	0.9
161.05971	5.9
163.03889	1.7
163.07491	0.7
165.05539	0.7
173.12964	0.6
175.07513	0.8
177.05476	8.2
178.06303	0.8
179.08609	0.6
186.05487	0.6
186.12296	0.6
195.06520	90.9
196.06825	2.2
197.09546	0.7
202.08914	3.1
203.07294	0.8
203.12160	1.8
204.70857	0.5
207.08076	0.8
225.09201	0.7
231.11726	1.1
235.07545	1.0
253.08656	1.3
257.11713	1.1
267.10239	1.1
271.09564	0.6
285.11176	10.2
313.10657	1.1
318.43854	0.6
331.11749	44.5
332.11847	1.6
348.10684	0.7
348.14429	10.3
349.14035	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	348.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.05514	0.7
56.05036	0.7
57.03429	0.4
60.04536	0.5
65.03926	3.7
65.04188	0.3
67.05499	0.4
69.07058	0.5
69.35655	0.3
70.02961	0.4
70.06593	4.2
70.76207	0.8
70.76523	0.3
72.08154	4.3
73.08376	0.3
74.74095	0.4
78.56689	0.3
79.05503	0.9
81.03371	0.4
81.07056	1.9
84.04506	2.5
84.08144	3.2
86.09700	4.9
87.02680	1.0
88.55968	0.4
89.03923	0.4
91.05477	9.1
93.03403	10.8
95.04974	1.0
98.09755	0.4
103.05497	1.7
107.04940	1.0
109.06516	0.5
110.03668	1.4
110.06059	0.4
110.07157	2.0
111.04437	15.6
116.07114	0.5
117.03313	0.6
119.04935	6.6
120.08138	2.3
121.06487	2.3
122.02718	1.5
123.04440	0.8
125.05987	30.5
129.10214	2.0
130.05043	0.7
134.03648	1.0
135.04433	1.5
136.06201	1.8
136.07578	0.7
137.05972	13.7
139.05748	0.4
145.02834	0.7
147.04384	1.0
149.05974	75.2
150.06383	1.8
151.07549	2.1
153.05458	83.2
154.05782	1.2
159.04837	0.4
161.05968	1.2
163.03859	1.1
166.08647	0.5
172.04181	0.5
177.05458	5.4
195.06520	100.0
196.06819	2.0
202.09013	1.8
203.12090	0.4
285.11194	1.2
308.80954	0.4
312.10629	0.6
330.11575	0.8
331.11697	8.1
332.12213	0.6
348.14517	7.2
349.14346	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	347.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.8
54.69464	0.6
55.01868	6.9
55.05517	1.0
56.05033	2.2
57.03437	17.1
58.06580	0.8
61.02921	2.2
67.05495	1.7
69.03432	5.7
69.07066	100.0
69.34492	4.5
69.34899	1.9
70.06599	5.5
70.07383	1.1
71.01352	16.4
72.08149	5.5
73.02917	20.3
73.06564	1.1
73.27482	0.7
74.06079	7.4
75.04478	3.1
75.06404	1.2
79.05453	0.9
81.03445	1.1
81.07063	1.0
83.01340	2.5
83.04976	1.5
84.04507	2.2
84.08131	6.2
84.08569	0.7
85.02904	41.4
86.09705	19.4
87.04465	0.7
87.10035	5.0
89.94675	0.6
91.05466	1.6
95.01326	8.6
95.04993	1.0
97.02894	13.9
97.06528	20.2
99.00815	6.2
99.04469	3.0
101.02396	5.2
101.07139	1.6
101.10826	0.8
102.05563	0.7
103.03943	6.0
105.07040	0.8
110.07191	1.9
113.02362	18.7
115.07574	7.9
117.01836	1.0
117.05515	1.7
120.08109	4.0
123.00785	1.0
123.04424	1.3
125.91277	0.6
129.10245	6.1
131.03386	10.3
132.10240	0.9
136.07593	1.8
137.06010	1.4
138.09213	0.9
141.01825	20.7
141.02913	1.0
141.05513	0.8
142.12312	1.3
143.11787	1.7
143.12741	1.1
145.04987	2.3
146.06056	2.2
154.79135	0.7
159.02890	7.5
159.06590	2.7
164.07080	1.0
166.08714	1.0
166.61871	0.7
169.05009	2.6
170.13785	1.0
171.10156	41.0
185.11928	0.9
187.06079	2.5
187.14409	5.4
188.14738	6.0
197.04547	2.2
198.23123	0.6
206.08194	2.6
213.11308	6.3
215.05457	4.7
215.13942	2.4
216.14249	3.4
227.08237	1.1
233.06534	1.3
233.14981	1.0
234.15359	2.2
238.08606	1.0
241.09894	1.8
255.07712	1.0
283.10992	2.4
287.10162	0.7
293.09323	1.2
301.12418	1.0
311.10373	4.6
329.11328	10.3
347.12570	15.1
348.13086	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	347.1239
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01875	5.0
55.05489	1.1
56.05000	0.9
57.03417	1.6
60.04486	1.0
61.90683	0.6
63.08624	0.6
67.05484	0.8
69.03405	1.3
69.07065	11.6
69.49630	1.9
69.50054	3.0
70.06590	5.5
71.01331	2.4
72.08147	4.7
73.02919	3.2
79.05489	1.2
84.04482	2.0
84.08141	5.6
85.02892	5.7
86.09709	4.3
91.05470	1.3
92.04947	0.7
93.07027	0.7
94.06541	0.8
97.02905	1.4
97.06516	2.5
98.06022	0.9
99.04444	0.9
102.05488	0.7
103.03977	0.7
104.04940	1.0
106.06565	0.9
108.04425	1.6
110.07127	2.2
113.02338	2.6
115.07512	0.8
115.08700	0.7
119.33746	0.6
120.08091	4.2
122.05972	0.8
129.10231	3.3
131.03365	1.3
134.06015	1.0
136.07555	2.0
137.05945	1.7
138.05492	1.5
138.09042	0.6
141.01767	1.4
146.05998	1.0
147.04379	1.0
148.07614	1.1
150.05458	0.8
152.03386	1.2
152.12823	0.6
156.07950	0.6
158.05832	0.6
158.09563	0.9
160.03912	1.8
161.04701	0.7
162.05453	1.8
164.07019	0.8
167.07153	0.8
168.06616	0.9
168.08043	0.9
170.08235	1.0
171.10234	4.6
172.07552	1.6
176.06990	1.0
178.04971	7.3
182.09631	1.2
183.09201	1.1
184.06142	1.0
184.07573	1.1
185.07097	3.6
185.10777	1.4
186.09125	1.4
187.04922	3.3
195.09157	1.1
196.09860	1.0
197.07135	1.9
198.07697	1.5
198.09288	0.9
199.08620	6.9
200.09242	1.2
200.10872	0.8
201.06566	4.2
201.10214	2.1
205.06139	1.0
209.07034	0.8
209.10791	1.2
210.09138	1.9
211.08759	2.2
212.10802	1.1
213.06575	7.0
213.10120	5.4
214.07066	0.9
214.08817	0.8
214.10521	0.6
215.11801	1.1
219.07469	0.7
227.08147	11.0
227.11659	3.6
228.06601	0.7
229.09787	4.3
231.07603	4.7
237.10234	3.1
238.08688	2.3
239.08080	2.1
239.11861	0.7
240.10294	0.8
241.09688	8.1
243.11317	1.4
245.09175	2.4
250.07385	1.1
251.08095	0.7
255.07623	11.9
255.11247	8.1
256.09677	1.0
257.09186	2.3
257.12888	1.4
259.07144	1.5
259.10831	1.7
265.09698	4.8
267.07614	2.5
269.09183	9.9
273.08676	6.3
273.12057	1.2
275.10300	1.1
275.13754	1.5
283.07529	1.0
283.10742	25.6
285.08621	0.7
287.10303	4.2
293.09207	6.4
301.11868	6.4
311.10239	41.4
312.10501	2.4
319.12875	3.6
329.11304	87.7
330.11682	6.1
347.12363	100.0
348.12631	7.1
360.39417	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	347.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05496	1.8
56.05035	1.5
57.03076	0.6
57.64908	0.5
60.04522	1.3
63.27796	0.7
65.03936	1.0
65.52475	0.5
67.05499	0.8
69.07064	1.2
70.02943	0.8
70.06589	7.7
71.06918	0.6
71.54200	0.8
72.08156	10.6
73.02856	0.7
73.08489	0.9
74.00671	3.6
74.06080	0.7
78.24323	0.6
79.05498	1.0
80.05007	0.7
81.07047	0.9
82.06592	1.0
83.06105	0.8
84.04502	7.5
84.08133	8.7
86.09225	1.1
86.09707	12.2
87.10037	1.9
88.03977	0.7
89.38447	0.7
91.05476	2.7
92.41197	0.7
93.03405	2.0
93.07029	0.9
105.07024	0.7
106.06586	1.0
108.04448	0.6
110.06026	1.1
110.07168	3.2
111.04440	3.6
115.03262	10.4
115.08635	0.7
116.07050	0.8
119.04918	1.5
120.08102	5.0
125.05983	4.3
129.10257	5.0
130.04999	2.0
130.06586	1.1
134.06049	1.2
135.04318	0.7
136.06190	2.2
136.07610	1.1
137.05956	2.2
138.05505	1.8
143.11819	1.0
144.02768	0.7
146.06010	2.0
148.07549	1.0
149.05969	12.0
150.05470	1.0
152.03426	1.4
152.07008	1.0
153.05466	12.5
160.03944	1.0
161.04745	1.1
162.05531	2.1
164.07108	0.8
166.19957	0.7
167.07323	0.8
169.08727	0.7
170.08279	1.3
171.09138	0.9
172.07605	0.9
176.07115	1.1
177.05466	1.7
178.04941	3.8
182.09656	1.0
183.09178	1.0
184.07620	0.8
185.07068	3.2
186.09198	1.1
187.05023	3.1
188.07088	2.2
195.06541	17.7
196.07674	0.7
196.09984	0.8
197.07088	2.1
198.07635	1.1
198.09267	1.3
199.08688	6.0
201.06584	3.9
201.10229	2.1
201.12251	1.2
202.12712	1.0
204.06563	0.7
205.06064	2.0
209.10666	1.5
210.09142	2.1
211.08682	2.3
213.06653	5.8
213.10188	4.8
214.08711	0.9
215.11801	0.9
218.05949	4.9
222.07683	0.8
223.08678	0.8
227.08107	7.6
227.11824	2.8
228.06621	1.3
228.10345	1.2
229.09648	3.6
229.13512	0.9
231.07655	3.7
237.06577	0.9
237.10176	3.1
238.08601	2.0
239.08336	1.8
239.11633	0.9
240.10120	1.1
241.09662	6.7
243.11276	1.5
245.09224	1.7
250.07376	1.0
251.08253	1.0
255.07680	9.9
255.11238	6.5
257.09250	2.2
257.12787	2.1
259.10822	1.1
265.09564	4.3
267.07593	2.2
267.11261	1.1
269.09174	8.0
273.08679	5.1
273.12253	1.1
275.13937	0.9
283.07611	1.0
283.10776	20.0
285.08713	0.8
287.10202	3.6
293.09174	6.3
301.11844	5.9
303.13315	1.5
311.10233	40.9
312.10550	2.8
319.12915	4.8
329.11304	69.1
330.11667	4.1
331.11661	1.7
347.12372	100.0
348.12592	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01873	5.4
55.05528	1.1
56.05059	0.5
57.39708	0.5
61.66042	0.6
67.05511	1.6
69.03448	1.1
69.07100	1.3
70.06581	3.5
70.17844	1.3
70.18250	1.8
71.05003	0.7
72.08167	1.7
79.05506	1.4
81.03429	1.1
81.07081	1.1
84.04488	0.9
84.08136	2.8
85.06525	0.6
86.09709	4.5
91.05484	1.4
92.05050	0.6
94.06566	0.8
95.04971	0.8
98.06083	0.7
105.07085	1.0
107.04976	1.3
107.08722	0.6
108.04491	0.8
110.06079	1.4
110.07205	1.0
119.04976	0.7
120.08128	2.1
121.06520	0.7
122.06062	0.9
123.04474	1.4
124.07604	0.8
129.07004	0.6
129.10275	1.6
130.06575	1.0
131.08620	0.6
132.08165	0.6
134.06052	1.5
135.11790	0.7
136.06226	0.8
136.07619	1.2
137.06009	1.8
138.05530	1.3
139.11177	0.5
140.07086	1.2
144.08113	1.0
146.06023	1.0
147.04462	1.0
148.07658	1.3
151.07510	0.6
152.03407	1.3
152.07076	1.1
155.01122	0.6
155.07416	0.5
155.08618	0.6
157.07623	0.6
158.09644	0.8
160.03961	1.7
160.07652	0.9
161.04770	1.4
162.05554	2.0
163.03828	0.8
164.07179	0.6
167.07228	1.0
170.06099	0.7
170.08359	0.9
170.09711	1.1
171.09166	1.0
172.07614	1.2
173.10936	0.6
176.07118	1.4
177.05440	0.6
178.04973	4.4
181.05070	0.6
182.09727	1.2
183.09186	1.2
184.06213	0.9
184.07677	1.3
184.11264	0.6
185.07100	3.1
185.10759	1.7
186.09286	1.1
187.04990	2.8
188.03461	0.6
193.07539	0.6
193.12291	1.3
194.09764	0.6
195.09209	1.2
196.07608	1.1
197.07150	2.3
198.07770	1.0
198.09415	1.4
199.08636	6.7
199.12418	0.7
200.07178	0.8
200.09175	1.2
200.10896	0.9
201.06586	4.6
201.10249	2.4
202.08580	0.9
204.06630	0.8
205.06128	1.3
206.06532	0.6
209.07166	0.8
209.10765	1.1
210.09206	2.9
211.08763	2.1
212.07234	0.7
212.10959	0.8
213.06601	7.9
213.10208	6.7
214.08778	1.2
214.10704	0.6
216.10350	0.5
219.07616	0.8
222.07990	0.9
223.08647	1.4
225.06628	1.0
225.10277	0.7
225.95070	0.5
227.08191	10.4
227.11702	5.2
228.06627	1.1
228.10371	0.8
229.09692	5.0
231.07639	6.3
237.10216	3.6
238.08665	2.3
239.08182	2.0
239.11786	1.4
241.09688	7.1
242.08180	0.7
243.07793	1.0
243.11497	0.7
245.09294	1.6
250.07561	0.8
251.08173	1.4
252.09076	0.6
255.07683	14.9
255.11310	8.9
257.09201	3.6
257.12909	1.6
259.07230	1.4
259.10907	1.5
265.09790	3.8
266.08060	1.2
267.07672	2.4
267.11447	0.7
269.09225	10.1
270.09677	0.8
273.08752	6.3
273.11954	1.3
275.10080	0.9
275.14072	0.7
283.07547	1.6
283.10764	28.0
284.11609	0.7
285.12207	1.1
287.10126	4.2
293.09204	7.5
296.07828	0.7
301.11786	6.5
311.10242	50.7
312.10556	2.4
315.13400	1.2
319.12930	3.3
329.11304	96.0
330.11578	4.1
347.12357	100.0
348.12674	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	347.1123
Annotation	Hamilcone
Peak:m/z	Relative Intensity
53.03933	1.2
55.01862	3.0
55.05498	2.3
56.05022	1.0
60.04517	0.8
60.42308	0.7
60.67844	0.7
65.03939	2.2
67.05504	18.7
67.64245	0.6
69.03426	1.2
69.07056	1.7
70.06580	3.0
70.09506	3.4
71.04981	0.7
72.08131	1.5
79.05495	3.5
81.03396	2.6
81.07075	4.4
83.04979	2.1
83.08595	1.6
84.04481	1.4
84.08125	1.8
85.02882	0.7
86.09692	3.0
90.97840	0.8
91.05476	6.0
93.07044	2.5
95.04961	12.8
95.08603	1.9
97.02919	0.7
100.11266	1.1
103.05445	1.0
105.07026	3.8
107.04971	2.4
107.08605	2.0
109.06514	1.4
110.06009	0.8
111.04446	2.6
111.08107	0.8
117.07100	0.9
119.04932	1.3
119.08581	1.6
120.08115	2.0
121.06501	2.6
121.10129	1.2
123.04422	100.0
129.07027	0.9
129.10251	1.1
131.08611	1.5
133.06511	1.7
133.10007	0.8
135.04385	1.8
136.01631	1.0
136.07594	1.2
137.05992	5.7
139.03911	1.2
142.07683	0.7
145.06442	0.8
145.10069	0.8
147.04416	2.5
147.06818	0.9
147.08112	1.0
147.11691	0.7
148.05154	0.7
149.02368	1.1
149.05994	2.3
149.09570	0.7
154.02562	1.3
155.03426	0.8
157.10120	1.5
159.08028	1.0
161.05983	2.9
162.03156	1.3
163.03928	1.3
163.07483	0.9
164.04730	3.8
164.07045	1.4
165.05452	1.0
167.03378	0.7
171.06477	4.0
173.05989	1.4
176.04671	6.9
177.05478	3.6
179.03435	0.8
181.04950	1.4
182.02084	1.8
182.05772	1.5
183.08122	1.1
187.07480	0.8
190.02563	2.2
192.04166	4.0
193.05009	1.8
193.12292	2.0
197.04420	6.0
197.08130	2.0
200.03156	3.1
204.04138	4.2
207.06573	0.7
208.03571	1.1
209.04431	5.4
210.05219	26.9
210.07202	1.3
211.13286	1.5
222.05214	21.5
223.05969	6.5
225.07561	48.0
226.08051	1.1
237.07553	44.5
246.13466	0.7
255.06471	4.9
257.15359	0.7
268.07239	5.1
274.13962	1.3
285.14886	0.9
297.07605	1.3
301.10623	1.5
302.17685	1.1
303.18008	8.5
314.07819	3.1
329.10178	40.1
347.11249	55.7
347.20050	3.5
348.11508	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.03937	0.3
62.73328	0.3
65.03941	1.5
70.63960	1.1
76.58207	0.3
79.05465	2.0
80.05010	3.2
81.07030	0.7
84.08125	0.5
86.09615	0.4
91.05476	40.2
92.05801	0.8
94.06570	4.4
95.04961	0.5
96.04492	1.1
96.08133	1.7
97.35907	0.3
100.68876	0.3
103.05473	0.3
104.04974	3.7
106.06542	5.7
107.04939	0.6
108.08107	0.9
109.06518	2.0
110.06021	0.6
110.32166	0.3
118.06532	1.1
119.04938	19.2
119.06012	1.0
120.05226	0.4
121.07619	3.8
122.06033	0.9
123.04412	2.2
123.09180	0.7
124.03920	3.0
126.05484	0.5
129.10242	0.5
131.06020	0.4
132.04448	2.7
133.07614	2.1
134.06003	0.3
135.09181	1.0
136.05225	0.5
136.07536	0.7
137.05977	59.1
138.05431	0.8
138.06363	0.9
140.07060	0.4
147.05536	1.0
148.03941	0.4
149.07101	1.0
150.05486	5.4
151.08716	0.4
152.07069	1.6
164.07053	1.0
165.06583	3.5
166.05020	2.4
167.08154	2.8
168.02870	0.6
175.00549	0.3
179.08145	1.2
180.10194	0.4
194.04486	2.4
205.70717	0.4
211.07135	6.4
212.07239	0.4
214.08684	0.5
216.10217	0.9
255.11324	3.4
257.12833	1.1
259.14380	1.4
301.11749	1.9
303.13397	6.5
304.13736	0.6
347.12360	100.0
348.12750	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	346.8733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47831	0.8
70.06590	1.4
70.60590	2.9
79.99487	0.9
84.08147	2.7
94.93013	86.8
96.92839	5.3
109.91655	1.3
112.89613	6.6
114.89362	3.5
136.94026	2.7
139.91417	1.3
147.11342	1.8
150.91949	2.8
170.03725	1.0
188.89624	2.0
196.87828	1.3
202.89052	10.1
204.87024	7.3
204.88943	22.5
206.86803	2.2
206.88606	15.4
212.85188	91.4
214.85023	3.2
228.77800	1.0
245.95479	12.8
248.89650	100.0
249.90018	1.5
260.85657	4.4
261.92880	2.5
266.91867	1.3
286.83447	24.6
304.84479	3.5
304.87378	2.2
345.19061	0.9
346.85126	1.0
346.88907	1.9
347.00009	1.7
347.08298	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	346.8733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47831	0.8
70.06590	1.4
70.60590	2.9
79.99487	0.9
84.08147	2.7
94.93013	86.8
96.92839	5.3
109.91655	1.3
112.89613	6.6
114.89362	3.5
136.94026	2.7
139.91417	1.3
147.11342	1.8
150.91949	2.8
170.03725	1.0
188.89624	2.0
196.87828	1.3
202.89052	10.1
204.87024	7.3
204.88943	22.5
206.86803	2.2
206.88606	15.4
212.85188	91.4
214.85023	3.2
228.77800	1.0
245.95479	12.8
248.89650	100.0
249.90018	1.5
260.85657	4.4
261.92880	2.5
266.91867	1.3
286.83447	24.6
304.84479	3.5
304.87378	2.2
345.19061	0.9
346.85126	1.0
346.88907	1.9
347.00009	1.7
347.08298	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	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
55.05515	24.0
57.03445	4.4
67.05503	62.8
67.28099	3.7
68.05813	4.2
69.07062	16.0
70.06596	3.6
70.73645	7.4
70.74004	5.1
71.04967	4.9
79.05497	24.1
81.07043	31.7
83.08595	13.6
85.06496	3.0
91.05455	11.9
92.02747	3.5
93.07030	14.6
95.08606	19.1
97.10166	7.5
98.97571	11.2
99.71011	3.3
105.07008	10.4
107.08587	20.4
109.10150	61.8
119.08560	8.7
121.10143	5.9
125.09631	10.2
127.03896	5.6
130.98032	3.3
135.11678	5.7
137.05949	4.5
145.10063	3.2
147.11674	7.7
155.10645	16.3
159.11667	4.7
173.11719	100.0
173.13197	6.9
189.11240	12.6
191.02161	3.2
195.13745	8.1
213.14986	3.6
275.20126	21.7
293.21002	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	346.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22762	0.3
54.37082	0.3
55.05495	1.1
56.05035	2.7
60.04517	1.5
60.05624	0.5
61.01157	0.3
61.03779	0.4
67.05508	0.6
69.07073	2.3
69.08102	0.4
69.42551	0.5
69.42955	2.2
70.02956	0.4
70.06587	10.9
71.06914	0.9
71.22337	0.3
72.08154	8.0
73.08477	0.9
74.06074	2.5
82.06592	0.4
82.44801	0.3
83.05005	0.4
83.06110	0.5
83.44252	0.3
84.04502	5.7
84.08141	10.4
85.02898	0.4
85.08464	0.6
86.09702	100.0
87.05593	0.5
87.09554	0.4
87.10027	2.1
88.03989	1.1
91.05479	1.4
95.04948	0.4
98.06053	0.3
98.20753	0.5
99.05625	0.3
101.07128	0.5
101.10802	0.4
102.05546	1.6
103.05466	0.3
104.05306	0.3
105.48917	0.3
109.02867	0.3
110.06016	0.4
110.07147	2.9
112.08730	0.5
115.03307	0.7
116.07073	2.1
119.04942	0.7
119.08508	0.3
120.06599	1.9
120.08079	3.3
121.06596	0.4
123.04420	0.4
129.10237	5.4
130.04988	1.3
130.08644	0.8
130.10596	0.8
132.08101	0.4
134.06065	0.4
135.04410	0.6
136.07599	1.5
137.05959	2.5
141.10286	0.4
143.11784	0.9
144.06552	1.1
144.12196	0.4
146.05998	0.3
147.04417	0.7
149.05951	0.3
150.05470	0.4
152.07115	0.6
153.05379	0.4
155.08109	0.4
157.13370	2.8
159.07748	0.4
161.05811	0.3
162.07617	3.7
163.03983	0.7
164.07005	0.5
171.06316	0.4
173.12889	0.4
175.11955	0.5
185.12881	0.6
186.12384	0.7
187.12720	0.5
197.12831	0.3
199.18048	23.3
200.18309	0.5
201.12436	0.8
203.13899	0.7
215.10432	0.4
215.13910	4.2
216.13609	0.4
227.17528	10.0
229.11742	0.4
233.11368	0.7
233.14983	2.5
239.13979	0.5
243.13451	1.6
328.22168	3.0
329.11230	0.6
346.06003	0.7
346.22729	0.9
347.12573	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	346.2335
Annotation	Ile Ile Thr
Peak:m/z	Relative Intensity
55.05508	0.8
56.05033	2.2
57.05812	0.4
58.06603	0.3
59.47406	0.3
59.96321	0.3
60.04515	0.7
65.09270	0.3
67.05515	0.4
67.70110	0.3
69.03438	0.4
69.07069	5.3
70.02956	0.4
70.06206	0.5
70.06588	8.9
71.05013	0.3
71.05782	0.8
71.06937	0.3
72.08148	4.3
74.06071	1.9
76.02207	0.3
76.03990	0.4
79.05495	0.7
80.05058	0.3
81.03412	0.3
82.06599	0.4
83.06118	0.4
84.04510	3.3
84.08141	5.1
85.02889	1.1
86.09701	100.0
87.10021	1.5
88.03990	1.0
91.05445	1.9
93.07072	0.4
94.06597	0.6
95.04976	0.8
97.02890	0.4
97.06540	0.4
101.07146	0.5
102.05537	1.6
103.05492	0.5
104.05334	1.0
105.03386	1.0
107.05006	0.4
108.08095	0.4
109.06471	0.5
110.07146	1.6
110.09676	0.6
112.08778	0.4
115.05491	0.4
116.07083	2.0
119.04919	0.7
120.06583	1.7
120.08092	3.0
121.06455	0.7
122.06067	0.4
123.04457	0.4
127.03938	0.4
129.10239	3.5
130.05019	1.5
134.06053	0.4
135.04396	0.7
136.07565	1.7
137.05966	4.1
138.06303	0.8
138.09106	0.5
144.01158	0.9
144.06593	0.6
147.04440	1.2
147.11441	0.4
150.05492	0.4
151.07576	0.6
152.07031	0.6
153.10268	0.6
163.03961	0.8
164.07144	0.4
165.05424	0.5
165.09178	0.4
166.08641	1.1
167.07083	0.3
170.06134	0.6
172.04236	0.8
176.07030	0.5
179.07088	0.5
181.06389	0.4
199.18045	30.8
200.18393	0.5
201.10472	0.4
201.12439	0.5
203.12158	0.6
207.10092	0.4
211.07184	0.4
215.13896	4.3
219.08015	0.4
223.07559	0.4
227.17525	11.3
229.10184	0.4
233.14954	4.1
243.13437	0.7
249.16081	0.3
262.06534	0.4
283.09818	0.4
286.07587	0.4
286.10809	0.4
300.12479	0.4
301.08548	0.7
302.27063	0.3
311.10120	0.5
328.22308	2.9
329.11377	0.6
346.12527	0.4
347.12573	3.0
347.16602	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	346.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.2
56.05035	10.2
57.03423	0.9
58.06598	4.2
63.66557	0.6
67.05496	1.2
68.05016	1.2
69.03410	0.7
69.07063	4.2
70.06584	6.4
70.07378	0.8
71.54646	0.9
72.08159	3.5
74.06075	26.4
79.05489	0.7
81.07069	0.8
82.06565	0.9
83.04970	0.7
84.04506	7.6
84.08141	5.1
85.02884	0.5
86.06060	2.7
86.09701	67.1
87.05593	1.0
87.10026	1.5
89.03910	0.5
91.05462	1.5
92.05836	0.5
93.07008	0.7
94.06567	3.8
95.05022	1.0
95.06898	1.6
95.08624	0.8
96.08120	0.6
98.09702	1.6
100.07590	0.8
101.07135	21.5
102.05538	1.4
103.05480	0.7
104.58284	0.5
105.07045	0.6
108.08084	0.7
109.02824	0.6
109.06514	0.7
110.06038	0.8
110.07172	1.0
116.04980	1.8
117.03439	0.9
117.05297	0.8
118.06519	0.6
119.04961	0.8
120.08086	3.7
122.06017	6.8
123.06347	2.7
124.11213	1.5
126.09128	1.6
126.12788	2.0
129.10204	2.3
132.10219	4.3
132.95120	0.5
134.05965	0.5
135.04407	0.9
136.07581	0.9
137.05957	3.4
138.06306	0.6
140.07065	8.1
141.07413	4.6
142.12271	10.2
143.10941	0.5
143.11812	6.1
144.04413	3.6
145.02850	1.2
145.04779	2.9
146.05997	2.7
147.04399	0.5
147.06331	1.7
152.10692	1.0
161.05894	0.9
162.05487	1.7
162.06682	1.0
163.03943	1.3
163.05856	0.9
167.07042	0.7
169.13344	1.6
172.03908	10.7
173.04272	11.6
175.05792	0.7
177.05440	3.8
187.14404	100.0
188.14757	1.3
204.05046	0.4
204.06549	15.8
205.06892	23.4
206.08257	3.3
207.08403	4.2
215.13905	28.9
216.14018	0.6
233.14966	4.4
241.10471	0.6
245.18524	3.7
283.10709	0.9
301.12216	1.1
302.16077	0.8
310.21240	0.6
311.10004	0.7
314.12128	0.9
329.11151	2.1
332.13199	1.2
346.14362	1.2
347.12323	2.2
347.19440	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	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05507	10.3
56.05038	5.2
56.09596	0.9
56.44434	1.1
56.96573	0.9
58.99577	1.1
60.04512	1.6
67.05502	3.3
69.03435	1.5
69.07073	5.4
69.90358	3.7
70.06593	32.1
71.06898	1.4
72.08154	100.0
73.08481	2.2
74.06068	3.1
76.02228	3.5
79.05491	3.1
80.05019	1.4
81.03450	1.2
81.07066	1.7
82.06583	8.4
83.04971	3.2
83.06101	1.7
84.04502	19.6
84.08146	12.1
85.02906	3.0
86.09705	51.0
87.10041	1.5
88.03984	5.0
89.03945	1.2
91.05479	13.0
93.07040	3.3
94.06525	1.6
95.04973	3.3
97.01114	11.0
97.02897	1.8
98.97560	1.2
102.05544	15.6
103.05395	1.5
104.05391	1.2
105.07022	6.8
106.06544	1.4
107.04926	2.6
107.08584	0.9
108.08114	4.3
109.06502	2.4
110.07179	3.8
110.09673	1.3
111.04397	1.2
112.08759	1.2
113.06004	1.3
113.97642	0.9
115.08699	1.9
116.07067	6.3
116.98627	1.2
117.07025	4.5
118.08650	8.9
119.04945	3.9
119.08574	8.1
120.08139	5.3
120.08846	1.3
121.06510	1.5
122.02766	5.3
122.03558	1.6
122.06000	2.0
123.08070	1.2
124.07616	1.9
126.09151	5.3
127.03923	1.3
128.06218	3.5
129.07010	8.5
129.10262	7.6
130.04976	2.5
132.01170	1.7
133.06482	1.4
133.10133	2.0
135.04448	2.4
136.07584	2.9
137.05988	22.6
137.06992	1.0
138.05396	1.7
138.06320	9.9
138.09154	4.1
140.05273	1.5
140.07164	1.2
143.08586	5.0
144.06577	1.8
145.02870	1.4
145.06480	1.7
147.04375	2.1
147.08051	13.4
148.06049	1.2
148.07582	4.8
149.06110	1.1
150.05540	2.2
151.03821	1.2
152.07079	1.7
153.06952	1.5
155.11777	2.2
156.10204	2.6
161.05923	1.5
161.09605	4.4
162.07552	1.8
163.03915	6.3
163.07576	1.4
165.09157	2.6
166.08591	6.9
169.13359	3.6
171.08061	2.1
175.07634	1.1
178.08676	1.5
183.11310	11.3
184.09697	8.6
186.05804	10.4
186.85280	1.2
189.09090	6.1
197.12901	2.6
199.18051	10.6
200.13994	2.0
201.12329	29.1
201.14207	1.7
203.12091	1.5
207.10176	17.0
225.11292	1.3
227.17491	3.9
229.11835	34.2
236.95844	1.1
237.02751	1.6
244.00426	2.0
247.13144	1.7
303.13342	1.3
310.11041	1.6
328.12155	10.9
346.13345	1.8
347.12405	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	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83928	0.6
55.05510	9.0
56.05017	2.2
60.04517	1.3
67.05483	1.2
68.05041	0.9
69.07048	2.5
69.17200	7.5
70.02948	1.6
70.06587	8.5
72.08150	71.0
73.02910	0.9
73.08479	1.3
73.32123	0.6
74.06063	2.3
79.05472	0.7
81.07021	1.0
82.06570	5.9
83.04961	2.5
83.08593	0.8
84.04488	2.4
84.08150	5.8
84.77462	0.7
85.02901	0.7
85.04015	0.7
86.09702	52.5
87.10016	0.8
88.03983	12.4
88.68936	0.6
91.05466	2.5
92.64995	0.6
94.06549	0.9
95.08618	0.9
96.08128	3.0
97.02858	0.8
97.06514	1.2
98.02425	4.5
98.06021	0.9
98.09698	1.3
99.09234	3.0
100.03968	1.2
102.05521	0.9
104.07115	0.8
107.04963	0.7
109.02836	0.7
109.10115	0.9
109.52402	0.5
110.07153	2.9
111.04445	0.8
112.08746	0.6
116.07082	1.0
118.08651	1.3
119.04922	0.9
120.08081	2.3
123.04414	1.0
124.07579	2.9
127.08672	14.7
128.07072	3.7
129.10229	3.9
132.04416	1.0
132.10205	8.7
135.04431	0.7
136.07545	2.4
137.05948	3.3
138.06334	1.4
138.09166	1.8
139.11179	0.8
140.06990	0.9
141.10216	3.8
142.08626	25.6
143.08946	0.9
145.02835	0.9
147.04443	1.0
149.05992	0.8
151.07600	0.7
152.07043	1.8
153.05420	1.0
156.10210	1.7
157.08606	0.9
163.03958	0.9
164.07098	0.7
166.08664	0.8
169.09741	5.1
170.08141	2.5
174.03969	0.9
177.05428	2.0
178.04774	0.8
178.08534	0.7
183.11366	1.3
184.09572	0.6
187.10771	100.0
188.11069	3.0
197.09195	1.2
198.07559	0.7
199.18092	4.1
201.12314	17.0
202.12617	0.6
203.13976	0.7
204.06578	1.1
211.07547	2.3
215.10263	21.6
215.13625	0.8
216.10565	1.4
223.07309	0.7
227.17514	1.4
229.11807	2.4
231.16978	1.5
233.14948	0.8
239.06984	1.1
246.38663	0.6
257.08090	4.0
301.11847	0.7
302.17563	1.0
329.10941	1.6
346.12854	1.3
347.12289	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	346.197
Annotation	Val Asp Leu
Peak:m/z	Relative Intensity
55.05508	10.4
56.05035	2.2
56.05259	0.4
57.05814	0.9
57.07036	0.4
60.04512	1.2
67.05506	0.9
69.07066	2.1
70.02945	0.9
70.06586	6.7
70.23971	0.4
71.54266	0.7
72.08150	100.0
73.08481	1.5
74.00657	0.9
74.06068	0.9
79.05505	0.7
81.03433	0.7
81.07063	0.7
82.06580	1.2
83.06112	0.5
83.08642	0.4
84.04498	6.4
84.08139	5.9
85.04043	0.6
86.09701	36.6
87.10030	1.0
88.03979	5.6
91.05485	2.1
93.07043	0.5
96.04539	0.4
96.08126	0.7
98.02402	0.8
98.09703	0.9
102.05534	2.8
103.05460	0.7
104.07098	5.4
104.36082	0.4
105.03378	0.8
107.04929	0.8
107.08560	0.5
109.02866	0.4
110.02405	1.6
110.07160	1.9
112.08761	0.4
112.11201	0.6
113.10774	1.1
115.03290	2.0
116.03471	0.5
116.07108	1.0
117.03452	0.6
119.04977	1.1
120.08094	3.8
121.06524	0.5
123.04369	1.0
124.03934	0.5
124.07592	1.6
127.08690	1.3
128.07156	0.4
129.06636	0.8
129.10240	3.4
130.05048	0.7
130.06526	0.7
132.10194	12.2
133.02887	0.5
135.04439	0.9
136.07570	1.8
137.05959	3.3
138.09171	0.7
141.10217	2.5
142.03201	0.5
142.08603	3.6
143.11803	2.4
144.06548	0.5
145.02872	0.9
146.03227	0.5
147.04395	0.7
149.05984	0.7
152.07068	1.0
155.11772	0.8
156.10239	0.7
162.07590	0.7
163.03957	1.2
164.07109	0.7
165.05447	0.6
166.08595	2.9
167.07005	0.6
169.09723	8.7
177.05522	1.4
178.05948	0.6
178.08559	0.6
179.07068	3.2
183.11292	1.6
184.09784	0.8
185.13023	0.5
185.16537	1.2
187.09073	1.1
187.10773	21.1
197.12839	2.2
201.12318	6.2
203.74348	0.4
211.07571	0.5
211.10805	0.5
212.09232	1.9
213.16200	0.5
215.10271	20.4
215.13652	3.3
216.10515	0.7
218.06021	0.8
220.00508	0.7
225.07578	0.9
229.11824	2.3
233.11465	0.5
247.12891	15.9
248.13145	0.6
257.08215	0.6
297.22665	0.5
303.13498	0.5
329.11349	1.2
346.14124	0.8
347.12595	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	346.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32203	0.9
53.03939	1.0
55.01876	1.0
56.05029	3.6
58.06602	1.1
58.99586	3.0
60.04514	0.9
60.41675	0.8
61.01122	1.1
65.03888	1.0
69.73218	5.9
69.73619	2.2
70.06586	16.0
70.25678	0.9
72.08157	9.2
74.06065	1.6
76.02224	8.7
79.05491	4.1
79.22430	0.8
84.04497	6.5
84.08146	10.7
85.02905	2.5
86.06052	1.8
86.09702	12.6
86.99041	2.5
87.10069	1.4
88.03985	1.9
91.05475	10.9
93.07042	6.2
95.05000	1.9
95.08575	0.9
96.08112	1.0
97.02918	1.0
102.05532	1.5
103.05478	3.5
104.05315	2.5
105.00108	2.6
105.07028	41.9
106.07397	1.6
107.04901	1.1
108.08125	3.1
110.07169	1.5
110.09700	2.4
116.07087	7.1
117.07023	2.0
119.04958	1.4
119.07320	1.0
119.08578	20.9
119.09381	1.6
120.08105	11.0
121.06499	3.7
122.02721	42.3
123.04410	2.0
123.08063	4.8
126.09112	2.3
129.07022	1.5
129.10190	5.7
130.06438	1.6
132.01106	1.1
133.10173	1.4
133.28313	0.9
136.07581	2.7
137.05969	3.6
137.09662	1.3
138.06451	0.9
138.09123	17.5
143.08542	2.7
144.06555	2.5
145.06618	1.8
147.04385	1.2
147.08046	51.3
148.07539	21.7
149.05991	1.2
153.06973	1.3
158.10083	1.8
161.09583	10.2
162.07634	2.3
163.03946	1.3
163.07545	2.0
165.09099	17.2
166.08641	63.0
167.08792	1.8
171.08067	1.5
177.07008	1.4
179.05188	1.5
184.09749	2.3
189.09109	10.0
191.08626	1.6
195.08031	5.3
199.07394	1.2
203.12201	3.1
207.10156	100.0
208.10454	1.6
219.08005	2.4
223.07504	2.2
225.11200	4.1
227.06964	1.1
231.11630	0.9
237.09138	3.3
239.07381	2.8
241.08597	2.0
257.08472	4.3
283.09607	7.8
287.09158	2.7
300.12347	4.0
311.09354	1.8
328.12265	1.9
329.10425	8.9
346.13297	5.7
346.22583	2.0
347.12680	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	346.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01865	2.2
55.05505	15.9
56.05027	13.8
57.05810	2.1
58.99572	6.7
60.04523	5.3
61.01118	3.0
64.20249	2.0
65.03923	5.1
67.04223	2.2
67.05507	12.6
69.03430	6.3
69.07056	6.9
70.02955	2.8
70.06590	55.5
71.06890	2.4
72.08153	100.0
74.06087	4.4
76.02211	8.3
76.04037	1.9
79.05492	16.5
80.05017	6.2
81.03415	4.3
81.05777	3.1
81.07042	5.6
82.06585	29.7
83.04977	17.9
83.06140	2.1
84.04503	23.9
84.08136	28.4
85.02908	4.0
85.08479	2.8
86.00659	2.3
86.09704	96.5
86.99041	3.9
87.09999	3.2
88.03993	16.5
89.03903	2.7
91.05480	51.8
93.07043	8.9
94.06551	6.1
95.04958	8.3
97.00491	3.7
97.01112	56.7
97.02859	2.5
97.06511	2.5
98.97578	4.0
99.02653	3.4
102.05526	17.3
103.05448	5.3
104.05319	6.3
105.00076	4.9
105.03451	2.0
105.07034	31.3
106.06569	6.3
107.04962	5.0
107.08597	2.5
109.06463	4.9
110.06025	3.7
110.07158	6.9
110.09690	4.6
111.04449	2.7
115.05447	5.0
116.07097	28.3
117.03359	3.4
117.06985	18.4
118.08655	4.8
119.04927	8.5
119.08577	47.3
120.08090	6.2
121.06470	11.6
122.02725	22.2
122.03606	5.1
122.06020	4.0
123.02615	3.3
123.04401	6.6
123.08092	5.6
125.05975	2.8
126.09130	3.4
128.06213	12.1
129.07013	43.1
129.10226	10.8
130.05006	4.2
131.08534	3.2
132.01152	7.5
133.06453	3.1
133.10097	5.7
134.06050	2.5
135.04390	7.8
135.08018	4.2
136.07599	5.6
137.05975	71.9
137.09627	3.2
138.05435	6.0
138.06323	27.0
138.09137	6.2
140.05269	7.9
141.05423	3.9
141.06975	3.4
143.08559	28.1
144.06531	6.5
145.02809	4.5
145.06479	10.2
147.06837	3.7
147.08041	76.4
148.07440	4.3
149.06012	2.5
150.05501	14.8
151.07552	3.0
153.05440	3.5
153.06975	8.0
155.07007	3.3
155.11748	3.9
158.10031	3.3
159.08041	3.3
161.04196	7.0
161.05998	3.6
161.09622	22.2
162.07579	4.8
163.03900	18.7
163.07532	8.9
164.07071	4.6
165.09090	17.2
166.07451	2.7
166.08606	14.8
168.06511	5.3
169.03299	2.0
169.13408	2.5
171.08015	9.4
177.07021	2.7
179.07010	2.5
179.10648	6.0
183.11287	9.9
184.09717	8.3
185.12865	3.5
186.05827	54.1
189.09091	31.9
199.18040	23.8
201.12361	24.8
202.12234	2.6
203.12178	10.6
205.08627	7.2
207.10161	98.9
208.10466	3.5
221.05989	3.0
223.07391	2.9
224.12714	2.5
227.17555	8.0
229.11845	37.3
230.11752	3.0
235.07576	2.7
241.08864	4.5
247.10951	3.6
248.03253	14.3
248.12830	4.8
251.07047	2.8
283.09787	4.7
298.11765	2.7
300.12314	3.1
310.11020	3.9
311.09683	2.3
328.08545	4.7
328.12177	50.3
339.07410	5.1
346.09760	4.3
346.13629	11.3
346.17004	3.6
347.12396	26.0
357.08661	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	345.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.9
56.05035	4.4
57.03424	0.7
57.05799	0.5
57.07061	0.9
60.04515	2.3
61.01143	0.7
65.43016	0.6
67.05495	1.0
69.03430	0.9
69.07065	5.0
69.27544	5.2
70.02946	3.4
70.06584	19.3
72.08147	100.0
73.08486	1.7
74.02430	1.0
74.06068	2.1
76.02209	1.1
79.05470	1.3
81.07047	1.2
82.06567	4.1
83.04973	0.7
83.06088	5.3
84.04497	12.8
84.08134	15.0
85.02902	0.7
85.04044	1.8
85.08431	0.9
86.06048	0.7
86.09698	53.0
87.05580	10.7
87.10030	1.6
88.04018	3.2
89.03896	0.7
91.05473	3.7
93.07021	1.0
94.06580	1.2
96.04472	0.8
96.08110	4.4
97.06555	0.6
98.02413	6.6
98.09649	0.6
99.09222	4.2
101.07132	1.3
102.05534	2.6
103.05492	0.8
104.05283	0.7
104.07085	5.8
105.07030	0.7
107.04975	1.8
110.02425	4.1
110.06035	1.4
110.07146	3.8
112.07578	0.7
112.08737	1.4
113.07153	0.9
113.10764	2.2
115.08691	1.2
116.06353	0.7
116.07111	2.2
117.03383	1.2
118.08646	1.2
119.04921	1.2
120.08118	3.5
121.02872	1.2
121.06511	1.8
122.02734	1.9
122.06055	0.6
122.07116	1.2
123.04442	1.6
124.02372	0.6
124.07585	5.6
125.05930	0.7
127.08668	14.5
127.09594	1.1
128.07140	0.9
129.06641	1.7
129.10228	9.4
130.05003	2.1
130.08656	2.6
131.04945	0.8
131.08525	1.1
132.04472	1.1
132.10190	5.2
135.04433	2.3
135.31677	0.6
136.07541	3.0
137.05962	6.0
138.05524	0.7
138.09140	3.9
141.06642	0.9
141.10210	22.8
143.11800	1.7
144.06573	3.4
144.10184	0.8
145.02861	1.9
146.05977	0.7
147.04398	1.6
149.05986	1.0
150.05568	0.9
152.07040	3.5
155.08206	0.8
155.11768	3.4
156.07713	1.0
157.09738	0.7
157.13307	4.1
161.12817	1.0
162.07617	4.7
163.03883	7.6
164.07089	1.5
166.08636	5.0
167.03432	4.5
167.07056	1.1
169.09698	11.4
169.13382	0.7
171.11374	0.7
177.05510	1.3
177.09116	1.5
178.09558	1.0
180.06587	2.1
183.11267	3.0
184.06062	0.8
184.09599	0.7
185.12866	0.9
186.12361	50.6
187.10835	2.9
187.12767	1.2
191.07091	1.0
196.14456	3.5
197.09267	2.5
197.11044	0.7
197.12804	2.7
199.18115	0.8
200.13919	9.9
201.12398	1.2
211.10735	0.6
212.09134	3.0
214.11836	22.0
214.15367	1.3
215.13988	1.5
223.07570	0.7
224.14009	1.7
228.13388	2.9
229.11888	3.0
231.17065	1.9
233.11467	0.7
241.15604	1.4
246.14456	4.8
265.15521	1.2
269.15088	1.4
282.18173	2.4
299.10181	0.9
300.19351	0.7
311.15884	2.7
327.09586	1.1
327.20209	3.0
328.18881	1.8
345.10550	3.2
345.14383	2.3
345.21887	3.6
346.12997	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	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.99560	0.7
55.01862	0.7
55.05501	1.5
56.05028	1.1
58.99602	0.7
60.04516	0.7
65.03938	1.5
67.05500	4.6
68.05019	0.7
69.03420	1.9
69.07066	61.5
70.02936	0.9
70.06587	5.8
70.07404	1.4
71.04990	0.8
71.50809	0.6
71.51238	1.4
72.08150	6.2
73.08495	0.7
77.07374	0.7
79.05483	3.6
80.05000	1.0
81.07056	6.5
83.04960	0.9
83.08596	1.3
84.04492	2.0
84.08160	4.4
86.09702	10.6
87.10030	2.6
89.03921	1.2
91.05486	3.7
92.05826	0.9
93.07039	1.1
94.06545	2.0
95.04954	2.9
95.08591	1.1
97.06517	2.1
97.10119	1.0
98.06013	0.8
103.05499	1.3
105.07020	0.9
107.04945	1.9
107.08627	1.1
108.08080	1.5
108.91620	0.8
109.06513	6.2
109.10141	1.3
110.06075	0.9
110.07213	1.0
110.09691	0.7
110.23813	0.6
112.07574	1.4
113.25386	0.7
114.03769	0.8
116.04974	1.1
116.98519	0.7
117.03369	2.3
118.03706	2.3
118.06545	1.1
119.04948	2.8
120.05325	1.3
120.08100	2.0
121.06489	1.8
121.10131	1.0
122.06066	3.2
123.04437	1.9
125.09653	0.9
128.06209	0.8
129.10239	2.4
130.06525	0.8
131.04889	1.3
132.04462	1.4
133.02832	2.3
134.06049	1.2
135.04436	2.2
135.08008	0.9
135.99124	0.7
136.07562	2.5
137.06010	6.3
138.05490	0.7
140.07062	100.0
141.07367	2.2
142.03264	1.0
144.04428	4.7
145.02834	5.3
146.03249	3.7
146.05998	7.9
147.04401	4.8
148.04738	2.8
148.07582	1.1
148.67355	0.7
149.04752	1.0
149.05930	1.5
154.08652	1.4
156.08023	0.8
160.03957	2.2
161.02406	0.8
161.05940	0.8
162.05527	4.0
164.07080	5.0
165.05624	0.8
167.07135	3.3
168.10205	1.2
170.05986	1.0
172.03922	26.0
173.12866	1.4
174.05478	4.5
177.05481	9.4
178.05823	10.9
184.07605	2.3
184.11224	1.0
185.16486	1.8
186.09177	1.1
186.16870	1.5
190.04968	6.4
191.07019	1.1
192.06557	6.0
192.10170	1.7
193.04939	1.1
194.09639	1.0
197.08310	0.9
198.05579	0.7
198.09125	2.3
202.08809	0.7
204.06560	43.2
205.06885	1.8
206.08144	13.3
212.07077	4.0
212.10699	6.5
213.11440	2.5
214.08687	0.9
218.08199	1.1
222.09158	2.1
223.07611	0.9
224.06953	1.4
225.07820	3.4
226.08635	2.1
230.04478	0.7
230.08171	1.0
239.11688	1.4
240.06546	1.4
240.10201	10.9
240.12390	1.2
241.10905	1.9
242.08070	1.0
244.09657	0.7
250.08629	1.7
256.09622	1.7
257.10568	0.9
266.12033	0.9
267.11227	1.4
268.09680	8.9
272.09302	1.6
272.12875	2.4
278.22250	0.8
285.12387	3.3
295.10471	1.0
296.09155	3.3
300.12296	51.2
301.12640	3.5
310.10950	1.8
313.11871	4.9
315.04971	1.0
321.94052	0.8
327.13467	3.7
328.11661	8.5
331.12851	7.0
345.06244	1.0
345.10373	1.4
345.14426	12.8
345.22046	0.8
346.20178	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	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01849	0.4
58.73080	0.3
65.03944	0.9
66.04727	0.4
67.05492	0.7
68.49712	0.3
69.07061	0.9
69.37811	0.6
69.38210	2.3
69.74318	0.3
70.06582	0.7
72.08157	0.4
74.06079	0.4
79.05488	0.8
81.07042	0.6
84.08135	1.3
86.09708	3.2
87.10044	0.7
89.03890	0.5
89.10256	0.3
91.05488	2.1
91.28997	0.3
94.04180	3.4
94.06561	2.3
95.04952	0.9
103.05472	1.2
105.07006	0.4
107.04932	1.2
109.06510	1.2
110.06008	0.4
112.07616	0.6
115.05447	1.3
116.04977	1.1
120.08097	0.6
121.06488	1.0
122.02768	0.5
122.03640	8.4
122.06026	4.2
123.04328	0.4
125.05961	0.7
129.10223	0.6
131.04944	1.6
133.02896	0.5
133.06448	0.4
135.04420	0.7
137.05972	100.0
138.06310	2.4
140.07066	5.6
143.04922	1.2
144.04437	3.4
145.06438	0.5
146.03587	0.4
146.05998	1.3
147.04372	0.6
149.05994	1.6
151.03909	0.9
151.07455	0.4
153.05498	0.4
153.06947	0.6
159.04410	0.9
160.05197	1.0
161.06010	3.7
162.05530	0.9
163.03912	0.7
163.07500	0.8
165.05641	0.6
165.06996	1.3
167.07039	1.0
167.08429	0.5
172.03928	11.1
174.05464	0.7
175.07556	2.8
176.04657	0.7
177.05513	0.5
178.07739	0.3
179.08546	1.4
181.06465	0.8
182.07303	0.9
183.06453	0.3
187.14439	0.5
189.06996	0.8
190.06357	0.6
191.06992	3.3
193.06506	1.2
194.07291	0.9
195.08058	0.8
203.06967	1.7
204.06558	17.2
205.06621	1.1
206.08278	2.4
207.08020	1.8
209.05989	0.6
210.06778	1.7
211.07515	0.8
217.06448	0.4
221.05989	2.3
221.08020	0.7
222.06673	1.1
223.07562	1.0
224.08275	1.2
225.05600	0.4
225.09052	1.9
227.07039	0.6
233.06059	0.9
234.06752	1.4
235.07524	1.3
237.05437	0.4
237.09094	1.6
238.06244	1.1
239.06944	0.5
239.10721	1.3
241.08662	0.4
247.07535	0.5
249.09102	1.2
250.06245	0.8
251.07042	1.3
252.07814	0.9
253.08583	3.4
255.06517	0.5
262.06219	0.5
263.07065	0.4
265.08600	3.5
266.09274	0.6
267.10117	3.2
269.08063	0.7
270.08847	0.6
277.08527	2.5
278.09283	0.4
279.06378	0.7
283.09351	0.4
285.11230	3.6
294.08899	2.0
295.09753	0.7
297.11273	2.3
299.12729	0.5
300.12546	0.4
309.11264	4.2
312.38428	0.3
313.11517	0.7
322.23068	0.4
327.12402	1.0
328.12213	0.4
345.13388	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	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01849	0.4
58.73080	0.3
65.03944	0.9
66.04727	0.4
67.05492	0.7
68.49712	0.3
69.07061	0.9
69.37811	0.6
69.38210	2.3
69.74318	0.3
70.06582	0.7
72.08157	0.4
74.06079	0.4
79.05488	0.8
81.07042	0.6
84.08135	1.3
86.09708	3.2
87.10044	0.7
89.03890	0.5
89.10256	0.3
91.05488	2.1
91.28997	0.3
94.04180	3.4
94.06561	2.3
95.04952	0.9
103.05472	1.2
105.07006	0.4
107.04932	1.2
109.06510	1.2
110.06008	0.4
112.07616	0.6
115.05447	1.3
116.04977	1.1
120.08097	0.6
121.06488	1.0
122.02768	0.5
122.03640	8.4
122.06026	4.2
123.04328	0.4
125.05961	0.7
129.10223	0.6
131.04944	1.6
133.02896	0.5
133.06448	0.4
135.04420	0.7
137.05972	100.0
138.06310	2.4
140.07066	5.6
143.04922	1.2
144.04437	3.4
145.06438	0.5
146.03587	0.4
146.05998	1.3
147.04372	0.6
149.05994	1.6
151.03909	0.9
151.07455	0.4
153.05498	0.4
153.06947	0.6
159.04410	0.9
160.05197	1.0
161.06010	3.7
162.05530	0.9
163.03912	0.7
163.07500	0.8
165.05641	0.6
165.06996	1.3
167.07039	1.0
167.08429	0.5
172.03928	11.1
174.05464	0.7
175.07556	2.8
176.04657	0.7
177.05513	0.5
178.07739	0.3
179.08546	1.4
181.06465	0.8
182.07303	0.9
183.06453	0.3
187.14439	0.5
189.06996	0.8
190.06357	0.6
191.06992	3.3
193.06506	1.2
194.07291	0.9
195.08058	0.8
203.06967	1.7
204.06558	17.2
205.06621	1.1
206.08278	2.4
207.08020	1.8
209.05989	0.6
210.06778	1.7
211.07515	0.8
217.06448	0.4
221.05989	2.3
221.08020	0.7
222.06673	1.1
223.07562	1.0
224.08275	1.2
225.05600	0.4
225.09052	1.9
227.07039	0.6
233.06059	0.9
234.06752	1.4
235.07524	1.3
237.05437	0.4
237.09094	1.6
238.06244	1.1
239.06944	0.5
239.10721	1.3
241.08662	0.4
247.07535	0.5
249.09102	1.2
250.06245	0.8
251.07042	1.3
252.07814	0.9
253.08583	3.4
255.06517	0.5
262.06219	0.5
263.07065	0.4
265.08600	3.5
266.09274	0.6
267.10117	3.2
269.08063	0.7
270.08847	0.6
277.08527	2.5
278.09283	0.4
279.06378	0.7
283.09351	0.4
285.11230	3.6
294.08899	2.0
295.09753	0.7
297.11273	2.3
299.12729	0.5
300.12546	0.4
309.11264	4.2
312.38428	0.3
313.11517	0.7
322.23068	0.4
327.12402	1.0
328.12213	0.4
345.13388	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	345.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.6
65.81943	0.4
69.07034	0.7
69.67764	2.1
70.06575	0.5
79.05482	1.3
81.07047	0.7
84.04531	0.4
84.08118	1.0
85.61829	0.4
86.09687	2.7
91.05484	1.9
94.04171	2.4
94.06557	1.1
95.04954	1.0
98.21439	0.8
103.05462	1.1
105.07049	0.6
107.04968	1.7
109.06503	1.0
110.03639	0.4
110.06072	0.4
111.04443	0.4
115.05450	1.4
116.04969	1.1
121.06490	0.9
122.03646	8.0
122.06004	3.6
123.04407	0.6
125.05979	0.6
129.10233	0.7
131.04893	1.8
133.02834	0.8
135.04387	0.4
137.05971	100.0
138.06332	1.0
140.07048	4.5
143.04907	1.5
144.04469	2.1
146.05998	0.9
147.04395	0.8
147.08052	0.5
149.06029	1.8
151.03906	0.8
151.07556	0.6
154.07742	0.4
159.04428	1.0
160.05214	0.9
161.05997	2.9
162.05487	0.9
163.07538	0.8
165.05589	0.6
165.07010	2.3
167.07033	1.5
167.08444	0.7
172.03908	7.5
172.05225	0.7
175.07513	3.4
176.04715	0.8
177.05455	1.1
178.07777	1.2
179.08575	1.6
181.06517	0.8
182.07257	1.2
189.07036	0.5
191.06961	3.5
193.06526	1.2
194.07266	1.0
195.07997	0.7
197.05984	0.4
197.09647	0.5
203.06981	2.0
204.06537	14.9
205.06583	1.3
206.08235	1.8
207.08095	2.0
209.05905	0.5
210.06653	1.9
211.07484	0.8
217.06619	0.4
221.05960	2.1
221.08006	0.9
222.06764	1.0
223.07524	0.6
224.08353	0.8
225.09091	2.3
227.07092	0.5
233.05934	1.0
234.06726	2.0
235.07484	1.8
237.08968	1.9
238.06305	1.4
239.06973	0.7
239.10703	1.3
247.91544	0.4
249.09048	1.9
250.06122	0.4
251.06995	1.2
252.07700	0.7
253.08615	3.4
255.06587	0.7
262.06305	0.5
265.08578	3.9
267.10129	3.5
270.08813	0.7
277.08640	2.7
279.06360	0.5
282.08679	0.5
285.11209	4.2
294.08902	1.5
295.09528	1.3
297.11072	2.3
309.11176	3.9
327.12399	1.1
345.13605	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	345.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03163	0.4
55.01870	0.6
55.05508	0.6
56.05016	1.1
60.04509	0.5
60.05634	0.6
65.03922	0.6
66.04720	0.6
68.05018	0.6
69.07024	0.6
70.06589	6.1
70.76050	1.0
71.04939	0.4
72.07758	0.6
72.08150	9.2
74.06066	1.3
79.05477	1.3
80.05013	0.9
81.04527	0.4
81.07041	1.1
84.04496	2.8
84.08138	6.3
86.09700	5.8
87.10010	0.4
91.05461	2.7
93.03376	0.5
93.70322	0.4
94.04189	4.1
95.04957	0.9
95.12016	0.4
101.07137	0.5
102.05536	0.5
103.05478	1.0
104.07091	0.4
105.03393	0.7
106.06494	0.4
107.04939	1.3
109.06499	1.1
110.07190	0.6
112.08712	1.0
115.05434	1.7
115.08672	0.8
116.07096	0.5
118.06510	0.5
119.04945	0.7
120.08076	0.6
121.06515	1.1
122.03641	9.1
122.07130	1.0
123.04459	0.4
129.10223	3.1
130.04996	0.5
131.04924	2.2
132.04390	0.5
133.02832	0.5
134.06000	0.4
135.04399	0.6
136.07571	0.8
137.05968	100.0
138.06349	1.1
143.04929	1.5
143.08141	0.5
143.11751	0.6
145.06520	0.5
146.03671	0.4
147.04384	1.3
147.08008	0.5
149.05980	1.8
150.05510	0.4
151.03912	0.8
151.07544	0.8
153.05586	0.4
153.07045	0.6
159.04387	1.0
160.05157	1.0
161.05949	4.0
163.03883	0.4
163.07558	0.6
164.07089	0.4
164.94493	0.4
165.05496	0.9
165.06993	2.3
167.08571	0.7
172.05193	0.6
175.07539	3.3
175.10670	0.4
175.12010	0.4
177.05479	1.0
177.06883	0.4
178.04897	0.4
178.07776	1.4
179.07138	0.5
179.08501	2.2
181.06441	1.1
189.07053	0.9
191.06992	3.7
193.06494	1.6
194.04405	0.4
194.07198	1.0
195.08110	0.6
199.22078	0.4
203.06999	2.5
203.13994	0.4
205.06464	1.1
206.07231	0.8
207.08032	2.3
209.05994	0.5
210.06767	2.2
211.07471	0.6
221.05962	2.4
221.08101	1.0
222.06737	1.2
223.07594	1.1
224.08316	1.2
225.09113	1.5
227.07048	0.6
228.13414	1.3
233.05966	0.9
234.06732	1.7
235.07481	1.2
237.09082	1.4
238.06255	1.3
239.07018	0.6
239.10889	0.7
239.98094	0.5
240.10057	0.4
249.09178	1.4
250.83046	0.4
251.06943	1.2
252.07773	0.9
253.08600	3.7
255.06451	0.8
257.13077	0.6
262.06265	0.5
265.08603	2.8
267.10138	3.9
270.08658	0.6
277.08585	2.6
279.06329	0.6
282.08801	0.4
283.10770	0.7
285.11179	3.8
294.08841	1.5
295.09677	0.7
297.11111	2.0
301.11856	1.2
309.11185	3.3
327.12177	0.6
345.10724	1.9
345.14145	1.5
345.21796	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	345.1331
Annotation	Nigrolineaxanthone A
Peak:m/z	Relative Intensity
53.03939	1.2
55.01870	0.7
55.05504	0.5
66.48795	0.4
67.05500	1.1
69.07051	0.6
69.53510	0.4
70.06575	1.1
70.70763	0.4
71.55727	0.8
72.08158	0.5
79.05483	7.0
81.07040	1.6
84.04485	0.7
84.08126	1.4
86.09700	1.0
91.05473	2.4
93.07043	0.9
95.04973	2.6
95.08592	1.4
103.05466	0.6
105.07018	1.7
107.04954	55.2
107.08583	1.0
108.05281	0.6
109.10093	0.8
115.05453	0.8
116.98623	0.6
119.04944	0.6
119.08557	0.6
121.06499	0.9
121.10104	0.9
131.04924	1.7
133.06491	1.0
133.10103	0.5
137.05957	2.1
145.02875	0.5
145.06508	0.6
147.04366	0.6
157.06458	0.6
159.08047	0.5
161.05989	0.7
163.03932	1.1
167.07028	0.5
175.07468	0.5
177.05482	1.3
178.06120	0.8
179.03354	0.5
181.04945	1.4
181.06436	0.6
189.05466	0.5
191.03423	0.9
193.04904	2.6
195.06511	0.9
196.03680	1.1
204.04227	0.5
205.04944	5.2
206.05725	2.1
207.06656	0.6
209.04424	7.5
209.06195	0.7
211.05998	2.7
216.09984	0.6
218.05743	0.9
221.04434	9.5
221.07878	0.7
222.05191	0.8
223.05899	2.5
224.06799	6.8
235.07828	0.5
236.06789	5.1
237.07472	2.4
237.09181	2.9
239.09174	8.3
243.44704	0.5
245.87093	0.4
249.09195	0.5
251.06766	0.9
251.09143	9.5
253.08650	1.1
265.08554	1.7
266.09335	0.7
267.10083	0.5
268.07239	0.7
269.08035	6.5
271.06015	1.0
279.06693	0.8
281.08038	0.6
283.09708	3.2
294.08804	1.8
295.06174	0.5
295.09604	1.2
297.07587	11.0
305.99704	0.5
311.08966	1.3
312.10101	2.3
313.10641	0.8
314.11417	0.5
327.12256	100.0
328.12695	2.3
331.67987	0.5
345.13358	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	345.1331
Annotation	Nigrolineaxanthone A
Peak:m/z	Relative Intensity
51.02364	0.3
52.19093	0.2
53.03945	1.5
53.16339	0.2
55.01867	0.5
67.05504	0.3
69.22619	2.6
70.06599	0.2
77.03907	0.5
79.05492	6.7
81.03387	0.3
81.07053	0.3
85.13537	0.2
91.05470	1.5
95.04961	2.2
95.08572	0.3
105.04502	0.5
105.07040	0.8
107.04951	49.4
108.05273	0.9
115.05434	0.5
117.07024	0.5
119.04942	0.7
123.04435	0.4
131.04942	1.2
133.06471	0.8
135.04454	0.3
137.06006	0.4
139.03943	0.3
145.06500	0.5
147.04420	0.3
153.01881	0.5
153.05450	0.5
154.06192	0.3
157.06439	0.4
161.06049	0.5
163.03908	0.9
169.04994	0.3
169.06477	0.3
175.03938	0.3
176.04688	0.4
177.05461	1.0
178.06233	0.5
179.03467	0.5
181.04944	1.2
181.06432	0.5
185.08124	0.4
189.05466	0.4
191.03397	1.0
193.04965	2.1
194.05640	0.4
195.02902	0.2
195.06573	1.2
196.03696	0.7
199.02390	0.4
203.03439	0.5
204.04263	0.3
205.04974	4.9
206.05713	2.2
207.02829	0.6
207.06577	0.7
209.04428	8.6
209.09639	0.4
211.06000	1.7
218.05693	0.4
218.96106	0.2
219.02850	0.4
219.06395	0.4
221.04422	7.4
221.08095	0.9
222.05240	0.7
223.05949	2.0
223.07654	0.2
224.06779	7.1
226.06088	0.3
235.06033	0.6
236.06773	4.6
236.08914	0.4
237.05060	0.3
237.07500	2.2
237.09203	2.1
238.08076	0.3
238.09985	0.3
239.06718	0.5
239.09135	8.6
249.05530	0.3
249.08951	0.3
251.07092	0.4
251.09142	9.0
253.08607	0.7
264.07910	0.3
265.04941	0.4
265.08658	1.7
266.09494	0.5
268.07309	0.6
269.08066	6.1
271.05902	1.6
279.06473	0.6
281.08133	0.9
282.08838	0.3
283.09567	2.2
293.07947	0.4
294.08905	1.0
295.06332	0.3
295.09546	1.1
296.10272	0.4
297.07565	9.3
311.09091	1.8
312.09912	2.5
313.10468	0.3
327.12253	100.0
328.12607	2.5
330.11127	0.2
345.13330	9.5
368.72842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1329
Annotation	Nigrolineaxanthone A
Peak:m/z	Relative Intensity
51.02370	0.3
53.03947	1.2
55.01864	0.8
57.48500	0.2
64.59409	0.2
67.05495	0.2
68.99799	0.4
70.54692	0.6
75.04478	0.2
77.03909	0.4
79.05488	8.2
81.03408	0.2
84.08135	0.2
86.09704	0.2
88.07652	0.2
91.05482	1.3
95.04967	2.8
98.21487	0.2
105.04499	0.7
105.07027	0.8
107.04949	59.1
108.05270	0.8
109.06503	0.3
115.05450	0.5
117.06965	0.2
119.04947	0.5
125.06017	0.3
128.06244	0.2
129.18802	0.2
131.04915	1.7
132.05643	0.2
133.06476	0.9
135.04439	0.3
137.02367	0.2
137.05989	0.3
139.03885	0.3
144.05717	0.3
145.06499	0.6
147.04420	0.5
149.05927	0.4
150.03038	0.2
151.03839	0.3
151.07393	0.2
153.01793	0.4
153.05447	0.5
155.03336	0.2
157.06461	0.3
159.04382	0.2
159.06558	0.2
159.08058	0.2
161.05934	0.5
163.03926	1.3
164.04610	0.2
165.05479	0.4
167.03409	0.5
167.06982	0.2
169.05013	0.2
175.03876	0.4
176.04675	0.6
177.05472	0.9
177.49710	0.2
178.06253	0.8
179.03427	0.6
179.07011	0.4
180.04150	0.2
181.04950	1.7
181.06465	0.5
183.02872	0.3
184.07219	0.3
185.05954	0.3
185.08118	0.4
189.05461	0.6
190.02571	0.2
190.06258	0.5
191.03352	1.4
193.04968	3.0
193.06691	0.2
194.05731	0.8
194.25946	0.2
195.02928	0.2
195.06555	1.5
195.08089	0.4
196.03671	1.0
196.07243	0.2
197.04395	0.2
197.08105	0.2
199.02379	0.7
203.03377	0.6
204.04218	0.3
204.16023	0.2
205.04945	5.7
205.06372	0.3
206.05727	2.8
207.02853	0.6
207.06381	1.1
208.03633	0.3
208.07231	0.2
209.04422	9.5
209.07808	0.4
209.09660	0.4
211.05963	1.7
211.09549	0.3
218.05769	0.5
219.02881	0.5
219.08206	0.4
221.04428	10.6
221.08070	1.3
222.05116	1.0
223.05919	2.8
224.06775	8.3
224.09012	0.3
226.06255	0.4
235.05997	0.5
236.06772	5.4
237.05339	0.2
237.07491	2.6
237.09178	2.7
238.08160	0.3
238.10083	0.2
239.09131	9.9
240.09593	0.3
241.08685	0.3
247.07465	0.2
250.06406	0.2
251.07080	0.6
251.09151	10.7
252.09648	0.4
253.08620	0.6
254.05830	0.3
257.49823	0.2
263.07034	0.2
264.07913	0.4
265.08591	1.6
266.09308	0.7
267.10205	0.6
268.07300	0.6
268.10788	0.2
269.04852	0.3
269.08066	7.0
270.08414	0.4
271.06018	2.0
277.08536	0.3
279.06461	0.6
280.07074	0.2
281.08008	0.7
282.08676	0.3
283.09683	2.7
293.08148	0.3
294.08801	1.3
295.06039	0.6
295.09659	1.1
296.10352	0.5
297.07553	11.7
298.07947	0.7
311.09149	2.1
312.09906	2.9
313.10193	0.3
327.12241	100.0
328.12610	4.9
330.11002	0.3
345.13303	9.4
346.13968	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	345.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.2
55.05490	4.1
56.05025	2.5
56.50086	1.1
60.04502	3.2
60.05640	1.6
67.05507	1.2
68.05019	1.2
69.03394	1.2
70.02946	2.4
70.06586	18.0
70.09371	5.3
72.08153	65.1
79.05457	1.1
80.04593	1.3
80.05020	21.0
81.03403	1.0
81.04549	1.2
82.06552	1.9
84.04487	4.2
84.08143	10.6
86.09233	1.5
86.09705	19.2
87.05544	1.4
88.03992	1.8
90.05544	1.4
91.05469	8.0
92.05000	1.8
93.05779	4.4
94.06555	4.5
95.04964	1.2
95.06053	1.1
95.49927	1.0
96.04518	2.5
102.05492	1.4
103.05457	3.9
104.04963	1.3
106.06536	4.9
107.04941	2.1
107.07288	1.4
108.06852	1.7
110.06012	1.8
112.08713	1.8
112.30903	1.2
112.90662	1.0
115.05440	1.4
116.03383	1.1
116.07082	2.4
118.06524	3.6
119.04887	2.5
119.06052	2.2
120.04441	1.9
120.08090	2.0
121.07585	1.2
121.53893	1.2
122.05964	1.3
122.07164	1.9
123.04408	4.7
123.05595	1.3
124.03921	5.7
129.10248	5.5
130.05009	1.2
130.06477	2.7
130.08647	2.0
131.04889	2.9
131.05910	1.1
131.07312	1.0
133.06091	4.1
133.07497	2.0
134.05978	2.0
135.04388	1.5
136.07581	6.3
137.05983	14.2
137.07019	1.3
143.04848	1.3
145.07619	1.5
147.02643	1.9
147.04381	3.1
147.07640	3.0
148.03920	3.8
148.05122	1.2
148.06313	1.5
149.05974	3.8
149.07031	1.1
150.05490	1.7
151.02068	1.7
151.06377	2.0
151.07497	7.6
152.06104	2.5
153.07092	2.4
154.06485	1.3
155.05002	1.2
155.08467	1.8
156.08101	1.4
158.78952	1.1
160.06262	1.1
160.07597	1.1
161.05934	2.1
162.05438	2.4
164.07076	14.1
165.06879	8.7
166.07834	1.5
167.01605	3.7
167.05061	1.0
167.07277	2.2
167.08565	4.2
168.08041	3.8
169.06479	2.2
169.80260	1.0
171.14922	14.4
173.05879	1.8
175.11877	1.5
176.07065	3.8
177.07951	1.6
178.08578	4.0
179.47029	1.2
180.08063	2.5
181.06432	3.4
182.05971	1.3
182.08179	2.1
182.09677	3.1
182.11755	3.0
183.07831	1.5
183.09189	1.8
184.07516	2.6
184.09712	3.2
185.05952	2.6
185.08440	1.4
185.16498	7.2
186.09129	1.4
187.07526	1.0
187.10750	1.3
191.07150	2.2
192.08003	5.7
193.03197	3.6
193.06430	2.8
193.08937	2.1
194.04446	1.2
194.09682	9.5
195.08002	2.5
196.07608	3.0
197.05984	3.0
198.06833	1.4
198.09117	5.3
199.06079	1.6
199.14391	8.2
200.07018	3.1
200.10721	1.2
201.07901	2.4
202.08644	5.0
205.06488	1.8
208.05261	1.0
208.07573	2.5
208.09691	1.0
209.08527	1.2
209.10620	2.4
210.09116	7.3
211.07489	2.5
212.06992	5.9
212.10741	2.1
213.07741	3.9
213.15958	4.0
214.08621	14.6
216.10147	1.8
220.07553	5.6
220.60110	1.1
222.09239	9.4
223.07736	2.5
224.06978	3.0
225.07806	7.6
225.10071	2.0
226.08588	6.5
227.08041	2.2
227.11732	2.4
228.10222	9.7
229.09644	1.8
229.13078	1.3
230.08208	1.5
237.10106	3.9
238.08655	9.4
240.10245	23.5
241.09734	1.6
242.10396	1.8
246.14407	1.6
253.09775	4.4
254.08185	2.5
255.11288	19.0
256.06387	2.0
256.09647	5.8
257.12820	14.2
258.07559	4.3
266.08112	1.4
271.10794	3.1
272.08960	1.3
273.12244	2.2
283.07877	1.4
283.10812	13.2
284.09180	3.7
299.10263	3.6
301.11804	37.5
345.10764	100.0
345.21844	7.1
346.11160	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	345.0967
Annotation	Araneol
Peak:m/z	Relative Intensity
50.35074	0.4
51.07343	0.4
53.00365	0.4
55.01866	0.4
55.05505	0.8
57.03430	0.5
67.05495	0.8
69.03417	0.4
69.07047	1.3
70.06570	1.2
70.95419	0.8
71.04964	0.5
72.08131	0.7
79.05486	0.8
81.03381	0.6
81.07069	2.4
83.08596	0.5
84.04504	0.7
84.08102	0.9
86.22961	0.4
91.05445	1.3
93.06999	1.6
95.04948	0.5
95.08611	2.0
99.08073	0.5
105.06999	1.3
107.04943	1.0
107.08608	0.7
109.06482	0.6
109.10137	0.8
111.04430	0.7
119.04887	0.5
119.08549	0.6
121.10129	0.7
123.04395	0.8
123.07978	0.4
123.11642	0.5
131.04843	0.5
133.06508	0.5
133.10117	0.4
135.04367	0.7
137.05968	1.9
137.13254	0.5
147.04349	0.6
147.11700	0.5
148.07533	0.4
153.01825	3.0
159.11739	0.4
161.05931	0.5
163.03876	2.3
167.07027	1.4
170.02051	1.0
176.80109	0.4
177.05457	1.0
178.02563	0.7
178.06262	6.3
185.05962	0.5
191.07019	0.8
195.08011	0.5
203.03410	0.6
204.04202	0.4
211.03914	0.8
213.05539	0.8
216.04185	4.0
217.04956	1.5
227.03395	1.3
228.04112	1.1
229.04918	0.6
231.02773	0.5
231.06506	3.1
241.04945	1.6
243.06514	1.5
244.03683	3.5
255.02899	16.1
256.03491	0.6
259.06039	4.5
269.04449	3.9
271.06009	0.4
272.03122	1.4
281.04422	0.7
283.02368	3.1
283.05972	1.3
284.03122	1.1
284.06659	0.4
287.05505	12.7
291.23434	0.5
297.03918	2.6
298.04956	0.5
299.05533	1.7
299.09006	0.8
300.02652	5.9
301.07166	0.8
309.24289	0.5
311.05545	0.8
312.06195	1.4
313.07053	1.8
313.10471	0.7
315.04984	62.7
316.05270	2.4
327.12241	0.9
329.06607	1.3
330.07327	19.3
331.07657	0.7
345.09692	100.0
346.10010	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	344.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.4
56.05022	0.7
57.94081	0.5
68.76759	0.5
69.07066	6.2
69.85890	2.0
70.06583	3.1
71.20690	0.4
72.08154	65.6
74.07401	0.5
79.05499	1.1
81.07047	0.7
84.04520	0.8
84.08144	1.5
86.09705	100.0
87.10037	1.2
88.03994	0.6
89.03916	2.8
91.05476	4.3
95.04980	0.9
99.31396	0.5
100.07631	1.1
107.04990	0.9
112.08672	0.7
112.91553	0.5
117.03370	8.0
119.04955	3.4
120.08080	0.8
123.04426	0.6
129.10243	1.5
132.10184	2.7
135.04396	1.5
137.05966	2.0
140.07083	6.9
145.02846	16.5
146.03197	1.1
146.06021	0.7
147.04420	4.7
148.04822	0.5
149.05968	2.6
151.07552	3.1
163.03934	3.6
164.07111	1.3
165.05504	1.2
167.07080	1.1
172.03955	1.1
177.05467	31.2
178.05815	1.4
185.16490	54.8
186.16866	1.2
204.06561	2.6
206.08170	0.9
211.99632	0.6
213.15977	25.0
231.17014	4.3
240.10214	0.7
264.54413	0.5
268.09708	0.6
284.10110	1.2
296.08972	0.7
300.12372	4.0
312.09409	0.7
327.13156	0.7
328.11728	1.0
331.12784	0.8
344.11545	0.8
344.18491	0.7
345.10132	0.6
345.14368	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	344.2542
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
55.05506	3.2
56.05032	0.7
67.05467	0.6
69.03412	0.6
69.07063	8.2
70.06587	3.5
70.50067	1.6
72.08150	50.6
72.88850	0.4
79.05492	0.5
81.07072	0.5
84.04510	0.6
84.08149	1.3
85.02866	0.5
86.09699	100.0
87.10030	0.5
89.03899	0.5
91.05481	1.7
93.07063	0.5
94.04152	0.5
95.04955	0.6
107.04961	1.1
112.97470	0.4
117.03386	1.3
119.01897	0.5
119.04930	1.7
120.08099	0.5
121.56859	0.5
122.03638	1.1
122.09655	1.9
129.10295	0.7
132.10207	1.9
135.04410	0.6
135.54929	0.6
136.07610	0.8
137.05974	11.4
138.09131	0.7
140.07060	3.8
144.55034	0.5
145.02878	1.7
146.05981	0.5
147.04396	3.9
148.04758	0.7
149.06018	0.9
150.09227	0.5
152.07121	0.7
161.05986	0.6
162.05511	0.5
163.03911	1.3
168.10176	3.8
172.03990	0.8
177.05482	3.4
178.05887	0.7
179.05972	0.6
185.16481	46.6
199.18083	0.6
204.06534	2.2
206.08188	0.7
213.15961	20.2
222.36739	0.6
231.17050	5.7
245.18594	1.0
257.08182	0.8
265.08731	0.6
285.11240	0.6
300.12439	2.4
300.15488	0.5
308.09598	0.6
340.77063	0.4
344.11795	0.8
345.14053	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.05504	11.8
57.03421	6.6
67.05509	32.8
68.99785	13.2
69.07068	28.1
69.26324	10.1
69.26734	43.3
70.06590	11.3
71.04986	13.9
73.59510	4.5
79.05502	34.6
81.03399	17.9
81.07059	29.0
83.05003	8.6
86.09680	7.7
89.21360	4.8
91.05483	30.1
93.07029	25.6
95.04964	34.6
95.08610	17.4
97.06525	100.0
98.21524	10.6
99.08080	6.6
105.07013	34.8
107.04961	24.3
107.08622	14.9
108.05292	5.5
109.06518	11.6
109.10152	8.2
115.03925	53.5
115.07557	23.6
117.03424	6.7
117.07005	11.7
119.08594	10.9
121.06455	6.8
121.10144	10.0
122.49879	4.8
124.74587	4.7
131.08586	4.8
133.06483	30.1
133.10130	11.4
135.04401	5.5
137.06009	7.7
138.05569	5.8
143.03394	47.8
143.08528	7.4
145.02863	14.6
145.10172	7.0
149.13422	6.7
153.01840	10.4
159.04457	11.4
159.11671	5.7
177.05457	34.3
177.12752	6.5
184.07312	7.3
344.18433	8.0
345.09656	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	344.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99612	0.3
63.02362	0.4
65.03931	0.3
67.05503	0.4
69.07089	0.4
69.39707	2.4
70.06591	0.7
72.08130	0.4
75.65619	0.2
77.75849	0.2
78.04716	0.3
81.07047	0.4
84.04463	0.3
84.08125	0.4
86.09727	0.4
89.03913	6.5
89.04425	0.5
91.05478	9.4
93.07032	0.4
95.04958	1.0
98.20787	0.6
100.88473	0.3
103.05509	0.4
106.04177	0.6
117.03380	23.2
118.03709	0.5
119.04940	7.2
121.06512	0.5
123.08098	0.3
134.03639	1.7
135.04482	1.5
136.05173	0.8
137.05939	0.9
145.02841	53.0
146.03143	1.4
147.03233	0.5
147.04402	9.4
149.05971	7.7
151.07524	5.5
158.06049	0.3
163.03954	0.5
177.05464	100.0
178.05818	2.3
186.05493	1.5
191.07043	0.4
344.14719	1.5
344.18521	1.2
345.05942	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	344.149
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
51.02425	0.1
53.79754	0.1
63.02395	0.4
65.03936	0.4
69.76434	0.3
69.76851	0.7
70.06606	0.1
77.14876	0.1
78.04716	0.3
79.05491	0.2
84.08135	0.1
89.03913	6.9
90.04224	0.2
91.05477	9.3
95.04965	1.4
101.77518	0.1
103.05457	0.5
106.04176	0.5
108.49741	0.1
117.03374	25.1
118.03722	0.5
118.25401	0.1
119.04936	6.8
120.05290	0.2
121.06487	0.2
124.05159	0.1
134.03613	1.6
135.04410	1.7
136.05194	1.0
137.05962	0.5
145.02837	56.8
146.03178	1.4
147.04401	4.3
148.83401	0.1
149.05974	7.7
150.06296	0.2
151.07536	7.3
152.07895	0.2
158.06012	0.4
162.03172	0.3
163.03902	0.6
166.78392	0.1
169.55687	0.1
174.98315	0.1
175.34366	0.1
177.05460	100.0
178.05804	2.7
186.05464	1.5
192.32263	0.2
194.08224	0.2
218.72192	0.2
344.14944	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	344.149
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
52.64443	0.2
55.05507	1.0
61.01144	0.2
63.14767	0.2
65.03936	0.5
66.12688	0.2
69.07070	0.4
69.79689	1.9
70.06598	1.3
72.08152	6.9
77.03926	0.3
79.64930	0.3
84.04489	0.4
84.08118	0.6
86.09707	10.7
89.03918	6.0
91.05478	7.9
95.04958	1.7
100.11264	1.6
101.11583	0.9
103.05486	0.5
106.04187	0.6
117.03379	25.5
119.04947	5.0
121.06503	0.3
129.10278	0.3
132.10193	0.3
132.83788	0.3
134.03615	2.0
135.04425	1.4
136.05171	0.7
137.05974	0.9
145.02844	56.9
146.03183	1.8
149.05974	7.4
151.07544	6.9
162.03146	0.4
163.03853	0.7
177.05467	100.0
178.05789	4.0
185.16489	4.6
186.05507	1.3
199.18124	0.3
213.15973	2.3
245.18544	0.3
322.22604	0.3
326.65701	0.2
344.15149	1.5
344.30936	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	344.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09849	1.7
62.25193	1.6
62.46789	1.8
69.45776	14.9
70.06594	3.4
79.05480	6.1
84.08152	1.8
84.20193	1.7
94.90481	1.9
95.04961	2.0
106.06539	8.0
107.04951	51.2
109.02876	3.0
112.02190	1.7
116.07129	1.8
134.06020	11.1
135.04407	41.1
137.05983	3.2
137.07071	1.9
139.33031	1.9
141.60649	1.9
149.49423	1.8
152.07060	100.0
153.05473	3.1
153.06586	4.5
165.06598	2.8
197.03790	6.3
219.23396	1.6
225.06996	2.8
227.14093	1.8
230.51224	2.1
241.06345	2.7
269.06003	3.9
280.07602	3.2
326.07956	7.2
344.09171	29.3
344.12991	2.8
345.10150	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01873	0.4
55.05512	0.5
55.91780	0.4
56.05027	0.6
57.03416	1.4
61.01134	0.5
61.02914	1.4
64.76677	0.3
65.03915	0.6
69.03429	3.4
69.07060	0.6
69.95172	1.5
70.06593	7.6
71.04984	0.4
71.06886	0.5
72.08144	3.1
73.02906	0.6
73.75044	0.4
81.03408	0.8
84.04508	1.5
84.08148	4.2
85.02905	15.6
85.08469	0.7
86.09705	7.5
87.04462	0.6
87.10017	0.4
88.03992	0.7
89.03886	0.4
91.03965	0.9
91.05478	5.1
97.02891	3.7
98.21472	0.5
99.04440	0.6
99.98259	0.4
101.18195	0.3
102.05564	0.4
104.05292	0.4
107.04956	0.7
109.02870	1.4
116.07120	2.5
119.04934	16.5
120.08108	0.9
123.04431	2.1
127.03924	3.0
129.10217	3.4
129.61508	0.4
132.10194	0.4
135.04370	0.7
136.07538	0.4
137.05981	0.9
141.10158	0.5
145.02878	0.4
145.04965	3.4
147.04405	100.0
148.04726	1.5
152.04695	0.7
165.05473	48.6
166.05939	0.4
167.07074	1.2
177.05467	0.8
178.05035	0.5
180.08673	1.3
182.08098	0.8
191.05751	0.8
201.12352	1.1
208.07942	0.4
212.39587	0.5
217.13614	0.5
313.11047	0.5
318.54477	0.4
344.10706	2.0
344.14899	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	344.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67239	1.4
70.06592	2.1
71.14285	2.6
73.85020	2.0
74.60194	1.6
76.93611	1.6
79.05476	4.9
106.06531	8.7
107.04954	46.4
109.02850	5.5
134.06032	9.8
135.04399	34.0
152.07054	100.0
153.07372	2.0
344.12695	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	344.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09130	1.5
56.76967	1.4
60.87085	1.5
61.81964	1.7
69.72651	9.2
70.06577	5.7
79.05481	4.4
84.04487	1.4
106.06533	9.3
107.04953	43.9
109.02864	1.6
112.02199	1.9
130.04999	2.1
134.06004	9.3
135.04425	37.3
136.07594	1.8
137.05978	2.6
137.07053	2.1
151.03156	1.9
152.07065	100.0
153.06499	8.6
153.61937	1.6
164.07100	2.1
165.06624	7.0
179.07944	1.6
187.92729	4.1
191.08035	2.0
197.03810	20.0
202.89085	3.3
207.07613	1.7
221.23029	1.4
223.05342	2.6
225.06953	12.2
239.58867	1.6
241.06459	9.6
269.05893	11.6
280.07474	5.4
284.83646	3.1
298.08450	2.5
320.59668	1.7
326.08054	20.8
344.09097	88.1
344.12692	4.2
345.09711	3.1
356.13547	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	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66916	1.0
53.03933	1.5
55.05513	7.9
55.25154	1.0
56.05032	1.9
56.96549	2.0
57.07059	3.2
59.04978	1.2
61.01159	1.0
62.86671	0.9
67.05179	1.3
67.05506	13.9
69.03422	2.7
69.06729	1.6
69.07066	16.8
70.06586	9.7
71.04973	2.2
71.08622	1.3
72.08147	5.8
79.05487	14.2
81.07052	31.1
83.04962	2.7
83.06097	1.2
83.08630	5.2
84.04503	5.0
84.08120	4.2
85.02882	1.8
85.06559	2.2
86.09700	29.9
87.10041	1.2
91.05463	11.0
93.06484	2.0
93.07042	23.5
94.06527	1.5
95.04951	3.9
95.08600	30.3
97.06527	2.4
97.10157	4.1
98.97585	1.4
99.08082	4.3
103.05445	1.3
105.07027	9.1
107.04951	2.5
107.07890	1.5
107.08584	17.1
108.08077	1.0
109.06516	2.5
109.10149	15.8
110.06054	1.2
110.07172	1.9
111.04439	1.3
111.08088	1.6
111.11694	2.3
111.65547	0.9
115.05455	1.3
116.98542	1.1
117.03352	2.5
117.07014	3.2
119.04971	1.0
119.08577	7.6
120.08093	3.0
121.06470	2.5
121.10137	11.4
123.07953	1.2
123.11678	7.7
125.09645	1.4
129.10204	2.2
130.04994	2.4
130.52168	1.1
131.08553	3.0
132.10208	14.5
133.02815	1.4
133.10130	9.9
135.04382	1.2
135.08051	2.6
135.10709	1.8
135.11682	21.5
136.07558	1.3
137.05960	4.8
137.09605	2.4
137.13229	4.8
139.11139	5.0
144.06491	1.1
145.02835	4.4
145.10109	2.5
147.04369	3.0
147.11678	6.5
148.03819	1.1
149.05978	1.4
149.09554	1.2
149.13240	10.8
151.07448	1.2
151.11133	1.4
151.14839	1.7
152.07008	1.4
153.12801	1.3
155.10635	1.8
159.11710	3.7
161.05965	1.9
161.13258	4.0
163.03925	1.3
163.07603	1.7
163.11169	1.4
163.14760	2.7
165.12750	1.3
167.07053	1.2
171.04388	1.8
174.06741	1.1
175.14827	1.3
177.05481	9.6
177.06929	1.7
177.12733	2.5
177.16414	1.6
181.04973	1.3
181.12146	1.0
185.07219	1.3
186.05460	3.1
187.14793	1.5
189.16402	2.7
190.04999	2.4
195.13809	1.1
197.05923	3.6
200.02222	1.2
200.07071	4.4
200.16406	1.0
201.07837	24.9
201.16257	1.5
203.17883	1.2
211.07579	1.4
214.08655	4.3
215.17953	3.7
223.07376	1.7
228.34589	1.1
229.23923	1.1
233.18871	1.2
248.59608	1.1
262.21677	3.3
265.08572	1.2
271.24240	3.1
283.09760	2.9
289.25089	2.3
297.12283	1.3
298.18039	4.2
300.15906	1.4
301.11743	1.3
307.26230	3.7
308.22174	14.9
311.09055	1.4
317.06549	4.3
325.26950	1.1
326.17453	20.0
326.23245	3.3
343.11819	12.0
343.15979	1.7
343.30569	2.1
344.11798	3.1
344.18546	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.05506	19.2
57.07066	9.8
61.70924	3.3
67.05496	33.9
69.03424	6.0
69.07069	43.2
69.87766	20.8
70.06596	14.0
71.05000	6.9
71.08625	7.0
72.88279	3.5
79.05493	26.5
81.07050	100.0
82.07330	3.1
83.04969	12.2
83.08617	15.0
84.04504	6.0
84.08159	7.4
85.06530	5.7
86.09701	10.2
91.05459	21.9
92.05887	3.4
93.07037	44.8
94.06557	3.3
95.04969	11.0
95.08611	56.0
96.37614	3.4
97.10155	6.7
98.21469	4.2
99.08060	6.4
100.11287	3.7
102.05537	3.3
103.05495	3.1
105.07042	27.2
105.58454	3.7
107.04934	8.2
107.08602	25.0
109.06512	6.5
109.10159	39.5
110.07172	4.3
111.11736	5.7
112.91655	3.4
115.07590	3.7
116.10712	3.4
117.03391	9.8
119.04942	4.5
119.08578	14.5
121.06479	6.7
121.10125	22.6
123.04438	5.4
123.11700	34.1
127.07539	4.2
130.05016	5.7
131.08594	5.3
133.10124	16.5
134.87206	3.4
135.08046	3.9
135.11696	14.7
137.05960	10.3
137.13251	9.5
139.11172	3.1
142.32161	3.0
145.02846	20.5
145.10129	7.6
146.03052	4.4
147.04420	10.3
147.11707	8.9
149.06006	5.6
149.13264	12.3
152.07018	4.0
159.11681	5.4
161.05925	4.5
161.13216	4.2
163.03900	5.4
163.11130	4.7
163.14926	4.2
175.14731	4.1
177.05486	43.3
177.06918	6.0
177.16396	5.1
181.04877	4.2
189.16385	4.2
194.05719	4.2
199.15411	3.9
215.18004	7.2
245.15866	3.8
276.90686	3.7
293.08160	3.8
325.11145	6.6
331.34744	4.3
343.11823	18.8
343.16202	4.5
343.27664	4.0
344.18622	8.6
353.56433	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	4.8
53.66794	2.8
55.01858	8.1
55.05507	18.6
57.03420	8.1
57.07073	12.5
59.04986	6.7
65.03928	4.3
66.51023	2.6
67.05499	34.3
69.03415	10.8
69.07045	8.5
69.64697	9.3
69.65105	8.5
71.04990	20.3
71.23827	2.3
75.71002	2.2
79.05485	30.2
81.03413	4.0
81.07048	32.6
83.04962	9.2
83.08602	5.5
85.06522	7.9
91.05479	39.2
93.07040	77.6
95.04382	4.0
95.04965	64.3
95.08601	93.6
97.06531	19.5
103.05437	2.9
105.07026	91.1
107.04914	5.4
107.08578	59.9
107.09304	3.1
109.06516	24.8
109.10150	6.5
115.05443	6.8
117.07008	37.0
119.08554	31.6
121.06495	16.3
121.10136	23.5
123.08073	32.6
125.05994	2.5
128.06206	5.0
129.06995	10.4
130.07751	15.5
131.08560	12.3
133.06456	7.1
133.10146	22.5
135.08034	29.1
135.11679	17.9
137.05959	4.5
137.09596	6.8
142.07745	6.2
143.08551	14.0
145.10109	94.6
147.08046	15.8
147.11714	6.9
149.05974	2.8
149.09605	7.4
151.07536	57.3
153.09125	4.3
155.08554	4.4
156.09361	4.6
157.10109	8.8
159.08087	3.0
159.11697	10.7
161.09583	9.1
161.13213	4.6
163.11169	82.3
165.09122	20.9
169.10187	2.9
171.11703	7.7
173.09607	8.5
173.13281	4.5
175.11185	5.6
177.09091	9.5
179.07094	4.3
183.27444	2.5
185.13202	5.4
187.11160	6.3
189.12752	11.2
191.10768	2.7
191.14272	3.5
195.11737	3.7
196.63425	2.6
197.13263	4.4
201.12738	3.9
203.14268	10.5
207.10080	5.1
207.13794	8.8
209.13319	4.4
209.15367	8.1
211.11130	3.1
217.12131	4.0
221.15343	38.9
223.14799	4.6
225.12782	3.2
233.15395	3.9
240.23120	3.2
251.14182	2.9
263.16449	7.5
286.19205	7.3
287.16541	5.3
287.19778	3.7
325.21585	16.0
343.22662	100.0
344.22867	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03945	4.7
53.78466	1.7
54.05268	1.8
54.15840	2.0
55.01868	8.6
55.05508	24.0
57.03439	12.4
57.07076	11.2
59.04989	7.2
60.04517	3.5
60.66388	2.1
61.75196	1.9
65.03941	4.9
67.05496	30.2
69.03431	11.2
69.07053	8.8
69.46952	4.0
69.47362	12.4
70.06571	2.9
71.04986	18.7
79.05491	29.8
81.03418	2.8
81.07054	33.4
83.04966	4.9
83.17273	1.7
85.06526	4.1
91.05477	40.3
93.07040	95.1
94.07349	3.5
95.04965	68.5
95.05572	3.6
95.08604	100.0
96.05310	1.9
97.06526	21.0
98.21536	3.0
103.05450	4.0
105.04533	2.1
105.07026	99.9
106.07320	2.9
107.04955	3.6
107.08590	58.7
109.06506	22.9
109.10149	7.5
114.38374	1.7
115.05450	11.9
116.06195	3.0
117.07010	33.6
119.08569	28.3
119.09366	2.1
121.06490	18.8
121.10151	22.2
123.08065	32.5
123.11701	1.9
125.05943	2.3
128.06244	4.1
129.06979	6.8
130.07788	21.9
131.08568	9.7
133.06493	9.3
133.10135	19.4
135.08057	30.2
135.11711	17.7
137.05963	4.4
137.09601	8.1
142.07784	3.3
143.08536	11.9
145.10123	91.3
146.10457	2.7
147.08049	16.1
147.11752	4.0
149.09683	9.1
151.07538	50.1
153.09084	4.6
155.08609	2.6
156.09317	4.9
157.10127	9.9
159.08072	4.8
159.11726	10.2
161.09592	11.9
161.13295	5.6
163.07620	3.9
163.11169	76.5
164.11562	2.4
165.09119	23.3
169.10136	5.5
171.08031	2.9
171.11688	6.3
173.09654	7.3
173.13327	2.3
175.11192	4.3
177.09129	8.2
179.07002	6.3
179.08440	3.8
179.10550	3.0
181.10146	3.6
181.12253	2.7
183.11703	3.6
185.13333	3.6
187.11179	6.5
187.14760	2.0
189.12726	10.1
191.10724	3.0
191.14342	4.4
195.11649	2.7
197.13322	4.9
199.11215	3.1
201.12790	3.1
203.14307	14.8
207.10097	3.5
207.13820	6.2
209.13242	3.5
209.15346	3.2
215.14267	2.5
217.12326	4.1
221.15358	34.9
225.12555	2.2
240.23227	5.6
243.13870	3.9
251.14243	2.1
263.16400	11.4
269.15359	4.5
286.19391	3.9
287.20264	2.5
307.20578	3.3
325.21616	11.1
343.22687	93.6
344.22995	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03941	6.1
54.55525	1.7
55.01853	4.7
55.05510	18.9
57.03439	13.4
57.07072	10.6
59.04984	8.9
65.03921	3.7
67.05502	25.4
69.03424	10.0
69.07045	9.4
70.70509	4.1
70.70879	3.9
71.04990	29.7
71.79790	2.0
79.05488	29.7
81.03412	3.1
81.07051	29.1
83.04961	4.2
85.06537	2.8
91.05471	36.8
93.07037	76.2
95.04962	68.4
95.07989	4.9
95.08600	100.0
96.61470	2.0
97.06525	16.3
103.05492	3.6
105.06311	4.8
105.07025	96.9
106.93410	2.5
107.04955	3.2
107.07894	3.4
107.08591	58.0
109.06502	20.7
109.10159	5.7
115.05434	11.8
117.07011	29.8
119.08572	31.7
121.06496	20.7
121.10129	20.4
122.10380	2.1
123.08060	31.7
125.05962	3.6
128.06184	3.5
129.06998	7.2
130.07787	22.7
131.08569	10.0
133.06508	5.5
133.10164	13.5
135.08044	34.4
135.11691	17.1
137.05971	4.5
137.09608	7.5
141.06909	1.8
142.07845	2.1
143.08554	11.6
145.06465	2.4
145.10117	93.9
146.10489	3.0
147.08040	16.8
147.11743	4.2
149.09619	6.7
151.07545	44.9
155.08463	2.1
156.09337	2.1
157.10121	9.3
159.08011	4.0
159.11700	9.3
161.09634	8.9
161.13258	6.0
163.07486	2.4
163.11174	68.2
163.12563	3.3
165.09100	21.1
169.10077	2.7
171.11632	6.9
173.09645	4.6
173.13281	4.2
175.11156	5.5
177.09093	4.9
179.07013	7.0
181.12218	2.2
183.11667	4.9
185.13240	2.4
187.11172	5.1
189.09059	2.2
189.12750	14.0
191.10669	2.2
191.14203	4.7
195.11786	3.3
197.13255	3.8
201.12738	2.7
203.14372	10.7
207.13780	7.9
209.13156	3.1
209.15352	6.1
215.14351	5.8
217.12224	2.6
221.15344	33.5
225.12689	3.2
227.14337	2.7
233.15387	3.3
240.23189	3.1
245.15314	2.3
263.16464	8.4
269.15289	6.7
286.19247	7.5
287.16528	3.6
287.19894	3.7
301.57819	2.3
325.21622	6.3
338.87186	2.5
343.22656	87.5
344.22989	6.0
369.95340	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	343.117
Annotation	Cerrosillin
Peak:m/z	Relative Intensity
55.05494	0.5
58.98269	0.5
65.85748	0.6
65.92483	0.5
69.86922	2.4
69.87332	1.0
71.04929	0.5
79.05505	0.7
81.07056	1.2
91.05458	0.8
93.07027	0.8
95.04993	0.6
98.20890	0.6
105.07016	0.8
107.04960	2.2
107.08568	0.5
109.02861	0.7
109.06522	0.9
121.64362	0.5
123.04392	0.7
131.04924	11.2
133.06508	1.7
135.04378	0.8
136.05185	0.5
136.80833	0.5
147.04413	1.3
150.03067	0.5
150.06735	0.5
151.03915	1.1
153.01810	1.2
159.04468	0.8
161.05974	1.2
163.03912	2.3
167.03363	0.8
174.03264	0.5
175.03896	0.7
176.04648	1.1
177.05447	5.5
178.06256	1.3
179.03348	1.3
180.04124	0.6
183.03027	0.5
188.04684	2.5
189.01781	0.6
189.05420	1.1
190.06288	0.6
191.03394	10.2
192.04178	0.7
195.03027	0.6
195.06557	2.8
196.03644	1.1
197.04436	0.8
199.02390	1.6
203.03395	1.1
204.04184	2.2
205.04913	5.8
205.06683	0.6
206.05728	12.8
208.03700	0.6
216.04175	1.7
219.02930	2.0
219.06451	1.4
221.08090	8.7
234.05180	1.6
237.07565	2.1
238.04797	0.5
239.06918	0.8
247.06021	0.9
249.05464	1.1
249.07587	27.1
250.08034	0.8
263.07111	3.2
264.07986	0.8
265.04889	0.7
266.05783	0.6
267.06396	3.7
267.08673	15.2
277.04947	1.5
279.06549	0.9
281.08093	2.2
285.07666	0.9
290.10367	2.3
290.13168	0.6
291.06476	1.2
292.07251	8.3
293.07791	0.5
294.49158	0.5
295.06006	21.1
296.06262	0.8
309.07486	3.3
310.08444	2.6
313.07089	4.1
325.10736	3.5
328.09454	2.6
343.11755	100.0
344.12054	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	342.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21794	0.4
55.05521	2.5
55.97675	0.5
57.07075	21.7
58.06603	1.1
59.86300	0.4
60.08152	1.0
62.06085	3.1
67.05509	2.9
69.07068	3.5
69.42684	4.2
71.08630	11.8
72.08158	1.1
73.02911	2.4
79.05486	0.6
81.07056	2.9
83.08628	3.0
85.10175	3.8
85.48357	0.4
86.09698	0.6
91.05440	0.5
93.07043	0.4
93.35581	0.4
95.08095	0.5
95.08607	3.6
97.10164	1.3
105.07051	0.5
109.10151	1.2
111.11684	0.5
121.10093	0.7
126.02952	0.4
156.17503	1.3
174.18558	4.1
212.23679	0.9
230.24773	4.4
233.09583	0.5
251.23892	0.5
283.26303	100.0
284.26602	3.5
293.03445	0.4
296.55511	0.6
307.54703	0.4
324.36105	0.6
325.16223	0.4
342.33588	35.8
342.37314	86.3
343.33896	1.6
343.37653	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	343.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05168	3.6
57.88762	3.2
65.48272	4.3
70.05542	13.1
84.08118	5.8
91.05801	4.3
119.01949	4.7
136.58455	3.7
137.84320	3.4
177.00952	16.7
178.01030	4.2
179.00732	6.5
182.85896	3.2
183.06079	4.7
216.98848	4.7
218.03551	3.5
219.02008	26.6
220.02008	8.0
221.01733	10.2
222.02255	3.3
234.99910	9.5
240.98955	7.1
244.19289	3.8
259.00031	22.8
260.00156	7.3
261.03018	27.5
263.02881	3.3
277.00967	24.6
278.01273	3.8
279.00723	4.4
282.99994	49.8
283.06403	8.3
284.00134	12.8
285.00140	8.7
301.01071	100.0
301.04208	4.3
302.01282	15.4
303.00937	14.7
303.96185	3.7
319.02423	5.6
324.02631	6.3
325.01257	10.9
326.01404	3.6
343.02066	58.0
343.08438	6.9
343.15735	3.7
344.02344	7.6
361.03351	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	342.2384
Annotation	Diprotin A
Peak:m/z	Relative Intensity
55.05505	0.4
67.05505	0.7
68.05005	0.3
69.07057	0.7
70.06588	100.0
70.88638	0.5
70.88982	0.4
71.04983	0.5
71.06932	0.9
72.08157	2.0
78.72822	0.3
79.05489	0.6
81.07052	1.1
84.04512	1.7
84.08131	1.7
85.02914	0.3
86.09701	21.9
87.10020	0.3
89.03911	0.9
91.05467	4.8
93.07053	0.5
95.04958	0.7
98.06031	1.5
102.05543	0.5
105.07040	1.0
107.04961	0.4
110.07176	0.7
112.08773	0.4
116.07098	0.7
117.03391	1.8
119.04926	3.0
119.08553	0.5
120.08124	0.8
124.07566	0.4
126.05511	0.7
129.10262	1.1
130.04991	0.7
130.06577	0.4
131.08624	0.3
132.10187	1.4
133.10159	0.9
134.03627	0.4
135.04443	0.5
137.05956	0.8
145.02831	5.5
146.03152	0.4
147.04401	5.3
147.08070	0.6
147.11708	0.6
148.06107	0.4
149.05989	1.0
151.07530	2.9
153.05516	0.3
175.07529	0.5
175.11230	0.4
177.04149	0.3
177.05467	8.9
178.05846	0.6
183.14925	18.3
184.15366	0.4
190.05042	0.8
192.06575	2.4
193.12328	0.6
207.06665	0.3
211.14403	11.1
218.08188	0.5
229.15462	32.3
230.15865	1.1
245.18716	1.0
296.09250	0.3
342.09476	0.5
342.13345	3.7
342.23868	7.0
343.13184	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99668	0.6
53.03942	0.9
53.18962	0.6
55.01864	1.3
55.05493	2.5
56.05029	1.3
60.00782	0.6
60.04541	0.8
65.03935	12.1
67.05505	5.6
69.03435	1.2
69.07073	7.7
69.27213	7.2
70.06592	19.2
71.04996	11.0
71.44752	0.6
72.08156	5.4
76.04002	1.2
78.04698	0.8
79.05489	7.9
81.03425	0.8
81.07056	7.9
82.07390	0.9
83.04959	2.0
84.04507	6.3
84.08152	7.0
85.06530	1.6
86.09705	61.5
87.04469	1.5
87.10015	1.6
89.03905	3.7
89.06045	0.9
91.05478	20.3
92.04993	5.3
92.05786	1.1
93.07049	6.7
94.06585	0.9
95.04961	2.7
95.08607	2.7
96.08118	0.9
97.06515	2.4
100.11244	1.0
101.10745	0.6
103.05450	2.9
105.06324	0.9
105.07029	16.4
107.04949	2.4
107.08586	4.6
108.08136	4.5
109.02901	0.9
109.06504	2.1
109.10129	0.7
110.06059	1.0
110.07162	1.8
110.09725	0.7
115.05446	1.6
116.07059	1.5
117.03377	13.4
117.07024	1.5
119.04921	3.5
119.08575	9.0
120.04481	8.1
120.08129	6.0
121.06480	1.6
121.10149	3.5
122.06019	0.9
123.08061	1.8
124.07547	1.4
125.06004	1.5
129.06981	2.8
129.10225	2.3
130.05006	3.0
131.08591	3.2
132.10196	22.2
133.02823	1.0
133.06467	4.9
133.10117	10.8
134.06007	0.8
134.10466	0.9
135.04404	2.3
135.11705	1.3
136.07535	4.2
137.05977	5.9
138.06308	1.8
138.09135	1.3
142.03117	1.1
142.07744	1.1
143.04892	0.8
145.02844	34.4
145.06445	0.8
145.10120	1.4
146.03181	2.1
147.04401	10.2
147.08052	8.4
147.11678	10.5
148.03928	100.0
149.05968	3.6
149.09662	3.7
149.13300	1.3
151.11162	2.6
154.08636	1.4
157.10078	1.6
160.05222	1.5
161.05925	0.9
162.02101	0.9
162.05515	0.8
163.03917	1.6
163.07512	0.7
163.11198	1.1
165.12804	1.0
166.05005	43.4
166.08678	2.3
167.07039	0.8
169.13286	3.4
172.03920	2.5
175.07568	4.7
175.11172	11.3
176.11542	1.0
177.05472	57.0
178.05807	2.4
186.05507	1.2
190.05013	10.2
192.13831	1.0
193.12250	19.1
194.07133	0.7
194.12511	0.8
197.12883	1.3
205.06541	0.8
208.16927	1.3
217.11043	0.8
218.08073	3.5
220.08365	0.8
227.11826	1.9
235.07494	0.9
240.07558	0.8
249.08809	0.9
252.04137	0.9
253.05118	1.6
254.17500	7.0
255.06790	0.9
255.11266	12.8
260.20041	2.4
265.04984	0.7
272.10022	1.3
273.12363	11.9
278.21173	6.8
279.21347	0.8
281.04379	1.3
282.07504	4.1
282.16959	1.6
283.10797	15.5
292.05963	1.6
292.10492	1.6
294.20679	2.8
301.11832	65.5
306.20599	4.4
310.07074	18.7
311.07071	0.9
314.10217	0.9
319.13007	6.6
324.09079	1.0
324.13004	1.6
324.21680	11.2
342.09799	4.4
342.13629	3.0
343.12112	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	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.6
53.03940	1.0
54.18439	0.6
55.05502	1.6
57.33941	0.5
57.92554	0.7
59.26630	0.5
67.05502	9.8
69.07066	10.7
69.18048	3.0
69.18471	3.1
70.06583	3.8
71.04987	11.6
71.05376	0.8
72.08136	1.5
79.05490	13.9
81.03405	1.0
81.07050	10.3
83.04956	2.9
84.04502	2.4
84.08131	0.9
85.06573	1.0
86.09703	100.0
87.04477	0.6
87.10032	1.4
91.05475	32.7
92.31926	0.5
93.07042	7.1
95.04963	2.3
95.08598	3.0
97.06491	0.7
100.11253	0.5
103.05482	0.6
105.06307	1.2
105.07025	25.3
107.04950	3.6
107.08597	7.5
109.06512	2.9
110.07166	0.6
117.07030	2.0
119.04922	2.2
119.08580	12.9
120.08127	0.9
121.06512	0.9
121.10139	4.0
123.08091	1.4
124.07661	0.6
125.06020	2.9
129.06973	4.5
129.10196	0.8
130.04997	1.5
131.08560	8.5
132.10197	48.1
133.06491	5.9
133.10118	20.9
134.10428	0.7
135.11710	1.5
136.07538	1.4
137.05960	0.8
142.07819	1.0
145.02858	2.4
145.10136	2.5
147.04431	4.7
147.08049	9.4
147.11681	14.4
149.05943	0.8
149.09610	6.2
149.13304	1.6
151.11169	5.4
157.10120	3.3
161.05997	0.6
163.11192	2.1
164.07018	0.7
165.12778	2.0
175.11169	20.3
176.11479	0.9
177.05455	4.4
192.06682	0.6
192.13847	2.1
193.12233	26.7
194.12601	1.0
201.12334	1.2
208.17072	1.8
238.14418	1.3
248.20152	0.9
250.09177	0.5
254.17520	6.7
260.20074	5.2
278.21127	13.9
278.24008	1.0
282.11789	0.8
283.09698	0.7
294.20663	4.1
306.20593	7.7
311.09189	0.6
324.21667	17.9
325.22137	0.8
342.13513	1.4
343.12637	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	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65099	0.3
51.02362	0.3
55.01861	0.7
55.05502	2.1
56.05022	0.8
57.03423	0.4
57.05799	0.3
58.06601	0.6
62.26496	0.3
63.56267	0.3
65.03935	0.6
65.96306	0.3
67.05502	10.0
69.03400	0.6
69.07063	9.7
69.85392	1.8
70.06591	4.5
71.04993	12.0
72.08147	1.5
74.02467	0.4
79.05489	13.8
81.03418	0.9
81.07048	10.9
83.04980	3.3
83.08632	0.5
84.04502	3.5
84.08145	1.4
85.02885	0.5
85.06537	1.6
86.09701	100.0
86.18835	0.4
87.04469	1.3
87.10023	1.8
89.03898	0.4
90.35342	0.3
91.05474	31.7
92.05818	0.7
93.07037	7.1
95.04961	2.4
95.08595	2.9
97.06520	0.4
103.05470	1.1
105.07025	24.6
106.07371	0.8
107.04955	2.9
107.08585	5.8
109.06509	2.2
110.07159	0.8
115.05466	1.1
116.07144	0.4
117.03380	1.4
117.06985	1.7
119.04955	2.2
119.07718	0.7
119.08575	13.2
120.08089	1.7
120.08882	0.6
121.06521	1.2
121.10155	3.4
123.08085	1.4
123.11687	0.5
125.05985	3.3
125.09656	0.4
128.06229	0.5
128.10706	0.8
129.07007	4.7
129.10280	0.6
130.05011	1.5
130.08655	0.6
131.08554	8.2
132.10194	44.9
133.06476	6.6
133.10107	21.6
134.10475	0.9
135.08102	0.4
135.11703	1.3
136.07574	0.7
137.05954	1.7
142.07825	1.2
145.02869	2.5
145.06424	0.4
145.10100	2.0
147.04398	6.4
147.05505	0.5
147.08052	7.9
147.11676	15.7
148.08459	0.5
148.12035	0.8
149.05981	0.7
149.09627	4.7
149.13257	1.8
151.03821	0.4
151.07558	1.1
151.11192	3.6
157.10115	2.4
160.05183	0.5
163.03809	0.5
163.11243	1.8
163.12386	0.4
164.07050	0.4
165.12782	1.3
172.03992	0.5
173.09631	0.4
175.07646	1.0
175.11176	20.0
176.11531	0.9
177.05437	6.4
181.04990	0.4
183.15004	0.4
190.05054	1.6
192.13860	2.5
193.12231	24.8
194.12595	1.5
201.12398	1.3
207.06586	1.4
208.17032	1.6
218.08162	0.4
229.11800	0.6
238.14354	1.4
248.20236	1.0
254.17542	7.5
260.20111	5.3
269.09549	0.4
276.04929	0.4
278.21115	11.0
278.24002	0.6
279.21616	1.0
294.20602	4.0
297.08597	0.4
306.20578	8.8
324.21667	19.7
325.21991	1.3
342.13809	0.7
342.22888	0.5
343.12357	0.7
343.16980	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	342.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.0
62.06076	1.8
67.05495	2.3
67.31748	0.7
69.03400	0.9
69.07058	2.4
70.06577	3.1
70.14408	2.8
70.14821	1.5
71.08622	10.4
72.08129	1.4
75.40986	0.8
79.05467	2.1
81.03416	3.1
81.07031	3.9
83.04968	7.1
83.08624	1.3
84.04475	1.7
84.08127	2.6
86.06060	4.0
86.09693	2.4
90.39182	0.8
91.05450	1.9
93.07056	1.9
95.04979	2.8
95.08594	2.9
96.08109	3.7
98.06069	1.4
98.09673	6.5
99.08068	4.0
101.06019	7.1
105.06992	1.6
106.07243	0.9
107.08580	1.3
108.08092	2.0
109.10119	1.2
110.07108	1.2
111.04443	4.6
116.10722	16.9
116.86411	0.8
117.59975	0.9
119.08537	1.0
120.08108	1.1
120.46593	1.0
122.06012	2.4
122.09676	1.7
124.07582	1.1
129.05450	2.6
137.05965	1.6
142.08618	2.0
143.10635	2.5
145.02789	1.8
154.08578	2.5
154.15897	2.9
155.07033	2.5
166.15852	1.9
169.67877	0.8
173.08101	2.3
177.05492	5.2
178.15910	1.8
182.15257	1.1
196.16965	9.8
208.13351	1.1
214.18007	100.0
215.18344	5.0
226.12216	1.3
226.14368	18.5
244.15411	7.4
299.35876	1.0
324.21634	5.3
342.22668	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	342.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
53.22620	0.2
53.88071	0.2
55.01849	0.4
55.05509	8.9
56.05017	0.4
57.07073	0.5
59.04991	0.9
62.06092	1.7
66.60605	0.3
67.05502	1.4
69.03417	0.4
69.07069	1.5
70.06598	1.6
71.03139	0.4
71.03465	0.4
71.04943	0.3
71.08242	0.6
71.08630	10.1
72.08159	1.4
73.02872	0.3
79.05498	1.8
81.07053	3.1
82.06585	0.6
83.04976	6.8
83.08629	0.6
84.04509	2.1
84.08148	2.2
85.06528	0.5
86.06064	4.1
86.09699	1.1
91.05455	0.9
93.07034	0.9
94.06526	0.3
95.04961	0.5
95.07307	0.3
95.08606	2.3
96.08131	4.0
97.06540	0.7
97.10172	0.3
98.06023	1.5
98.09689	7.5
99.04469	0.4
99.08089	3.8
101.05396	0.5
101.06013	5.7
102.05513	0.5
105.07028	0.7
106.73991	0.3
107.04974	1.5
107.08593	1.1
108.08141	1.9
109.06561	0.4
109.10141	0.6
110.06031	0.3
110.09662	0.6
111.04443	5.0
111.08059	0.3
113.05995	0.5
113.08385	0.3
114.09164	0.4
116.10732	17.2
117.03360	0.4
117.11051	0.3
119.08583	0.7
121.06490	0.5
121.08905	0.4
121.10120	0.3
122.09682	1.9
123.08099	0.3
124.07590	1.5
126.09165	0.9
127.07536	0.9
129.05461	2.8
130.04973	1.1
134.09634	0.4
135.04404	0.8
135.10440	0.4
136.11197	0.8
137.05959	0.8
137.09619	0.3
140.10703	0.7
142.08652	2.0
143.10674	2.3
145.02818	1.2
145.10034	0.3
147.04424	0.9
147.06483	0.6
148.05991	0.9
149.05994	0.3
152.14403	0.3
154.08606	1.7
154.12332	0.3
154.15915	3.5
155.07018	2.6
164.10663	0.7
164.14340	0.6
166.15904	3.1
168.17453	0.9
170.15433	0.3
172.09654	0.8
173.08115	3.0
177.05508	2.1
178.15901	2.4
179.03339	0.4
180.13838	0.3
182.15414	1.2
190.12305	0.6
191.06950	0.4
194.05783	1.0
195.13669	0.4
196.16954	11.1
208.13301	0.9
209.07979	0.6
214.18010	100.0
215.18359	3.7
226.14377	15.4
227.14685	0.7
244.15439	7.4
245.15768	0.3
294.08868	0.3
322.89471	0.3
324.21719	4.8
325.10730	0.4
340.65201	0.3
342.22778	5.7
343.11823	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01854	0.4
55.05508	2.3
55.97224	0.4
56.64853	0.3
57.03436	0.4
58.02969	0.6
63.49334	0.3
66.13956	0.4
66.80824	0.4
67.05505	9.1
69.07067	9.6
69.97064	2.2
70.06583	0.6
71.04991	11.3
77.03939	0.6
79.05496	13.0
81.03405	0.4
81.07056	11.7
83.04976	3.9
85.06530	1.4
86.09705	100.0
87.04453	1.2
87.10032	1.4
91.05479	30.6
93.07043	6.6
95.04964	2.0
95.08624	2.1
97.04742	0.4
97.06567	0.5
100.11247	2.0
103.05488	0.5
105.07029	24.9
107.04939	2.9
107.08585	5.4
109.06512	2.3
114.09151	1.9
115.05452	0.8
117.07034	2.1
119.04930	0.9
119.08579	14.2
120.08932	0.7
121.06488	0.8
121.10143	2.9
123.08092	1.5
125.06012	2.9
128.10794	0.5
129.06999	4.6
131.08574	7.5
132.10204	44.5
133.06511	5.5
133.10124	22.0
134.10480	0.6
135.11720	1.1
137.05988	1.1
138.06352	0.5
142.07748	1.1
142.08643	1.3
145.02850	0.8
145.10127	2.4
147.04401	0.8
147.08051	9.3
147.11688	15.7
148.08447	0.4
149.09630	6.0
149.13245	1.6
151.11180	4.8
157.10167	1.7
163.11151	1.9
165.12790	1.5
175.11183	18.5
176.11598	1.3
177.05501	0.8
184.16968	0.5
192.13831	2.1
193.12247	22.5
194.12630	0.7
201.19652	1.2
206.91454	0.4
208.17007	1.5
210.14928	0.5
217.90953	0.5
238.14383	1.2
248.20215	0.7
254.17531	7.3
260.20084	6.0
278.21161	11.8
279.21640	0.7
294.20654	3.6
306.20642	8.6
311.23233	0.7
324.21677	18.2
325.22028	1.3
342.23401	0.4
342.27527	1.6
343.11734	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	342.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02363	0.4
70.06590	2.4
70.67359	0.4
70.67738	0.5
71.34234	0.3
72.08147	0.9
78.04704	0.6
79.05477	0.4
79.33459	0.3
82.36450	0.2
84.04485	0.4
84.08134	1.1
85.02908	0.3
86.09700	5.1
89.03907	7.9
91.05488	1.2
95.04958	0.3
102.05537	0.2
103.05463	0.4
106.04160	0.5
110.07172	0.5
111.29484	0.2
115.05470	1.5
116.07072	1.7
117.03371	26.4
117.07024	0.6
118.03757	0.5
119.04926	1.5
119.93053	0.2
120.08082	0.8
129.10248	0.5
131.04950	0.4
134.03603	1.8
134.05963	0.3
135.04420	1.8
136.07593	0.3
137.05994	1.2
143.04898	1.3
144.05797	0.4
145.02834	61.4
146.03180	1.0
147.04395	5.0
149.05966	9.0
151.03847	1.3
160.05183	1.9
163.01193	0.3
163.03885	0.5
166.08664	0.6
175.07529	7.0
176.07861	0.3
177.05457	100.0
177.78938	0.3
178.05814	2.3
186.05455	1.4
192.06578	0.6
199.18080	0.7
201.12335	0.3
218.08107	6.7
227.17526	0.4
325.10757	0.3
342.13538	1.9
343.12833	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	342.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98217	0.3
63.02376	0.8
65.03934	0.8
66.59176	0.2
69.07071	0.7
70.06591	6.9
71.41778	0.3
71.59917	0.3
72.08155	1.3
78.04711	0.3
79.05504	0.3
84.04488	1.1
84.08144	1.6
86.04275	0.3
86.09705	13.1
88.03996	0.3
89.03915	7.4
91.05476	11.6
92.05801	0.4
93.07043	0.3
95.04970	0.4
97.51564	0.2
100.03975	0.3
103.05465	0.7
104.05054	0.3
105.07038	0.3
106.04166	0.3
110.02426	0.2
110.07164	0.9
115.05454	1.9
116.07077	1.0
117.03377	24.4
118.03683	0.5
119.04938	26.5
120.05274	1.1
120.08111	0.8
121.06506	0.5
129.10210	0.6
131.04959	0.4
132.04489	1.3
132.05396	0.3
134.03630	2.1
134.06032	0.6
135.04424	1.9
136.07501	0.3
137.05991	2.1
141.10242	0.3
143.04903	1.3
145.02843	56.2
146.03191	1.1
147.04407	100.0
148.04758	3.9
149.05972	8.9
149.07133	0.5
150.05501	1.1
151.03900	1.1
152.07019	0.3
156.10191	0.4
158.06049	0.3
160.03963	0.5
160.05205	1.9
163.03877	0.8
166.08615	0.6
175.07542	6.2
177.05467	93.0
178.06033	2.0
180.06459	0.4
183.11269	0.5
185.00732	0.3
186.05476	1.5
190.08572	0.4
192.06534	0.8
196.05989	0.8
199.18050	0.3
201.12349	4.3
202.04939	0.3
206.08145	0.3
218.08099	5.9
227.17325	0.3
229.11903	1.4
229.15469	2.4
264.92874	0.3
325.10764	0.3
342.13443	3.0
343.12988	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	342.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01617	0.2
50.60373	0.2
50.69384	0.3
52.21778	0.2
53.03949	0.3
55.05497	0.4
55.19082	0.2
59.14540	0.3
63.02367	0.4
65.03958	0.4
67.05506	0.5
69.07058	0.2
70.06586	3.3
70.63392	0.6
70.63785	0.4
70.72160	0.3
71.04999	0.3
72.08159	1.2
76.25413	0.3
78.04731	0.4
79.05481	0.5
81.07041	0.4
84.04500	0.7
84.08147	1.4
85.02885	0.3
86.09705	4.3
89.03911	9.9
91.05479	1.4
95.04961	0.5
95.92384	0.3
103.05451	0.9
103.89702	0.2
105.07058	0.4
106.04144	0.7
107.04965	0.7
110.07151	0.8
115.05457	2.1
117.03376	30.9
117.07047	0.4
118.03667	0.5
119.04917	1.2
120.08096	1.1
121.02862	0.4
121.06505	0.3
122.26369	0.3
123.04393	0.3
124.05198	0.3
129.10249	0.5
130.04982	0.3
132.10168	0.5
133.06490	0.4
133.10103	0.3
134.03606	2.4
134.06018	0.5
135.04407	2.2
136.07568	0.5
137.05983	1.5
143.04935	1.3
145.02840	64.9
146.03180	1.2
147.04384	3.1
149.05972	9.8
151.03900	1.2
153.05420	0.5
153.86009	0.2
158.06061	0.4
159.08034	0.3
160.04010	0.4
160.05153	1.9
161.05992	1.3
162.03188	0.5
162.05531	0.3
163.03882	0.9
163.07539	0.2
165.07013	0.6
166.07404	0.4
166.08707	0.6
167.07115	0.3
172.04237	0.3
175.07547	8.1
177.05463	100.0
178.05865	2.6
181.04907	0.7
181.06398	0.5
183.14909	0.4
186.05472	2.1
186.23654	0.3
189.05453	0.6
192.06541	0.7
194.07210	0.3
195.08052	1.0
197.05792	0.3
201.12334	0.6
202.05165	0.3
208.05083	0.3
211.07384	0.4
211.14355	0.4
218.08101	6.9
221.05859	0.3
222.06413	0.7
223.07442	0.9
236.07907	0.4
239.06876	1.0
240.07590	0.6
251.06992	0.5
254.08891	0.6
255.10216	0.6
267.06454	0.5
268.07352	0.8
282.08374	0.6
282.12137	0.3
283.09561	1.9
297.11121	0.4
300.09763	0.3
310.07806	0.9
311.08987	2.4
315.12210	1.0
342.10355	1.1
342.13397	1.5
343.11719	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	342.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01860	0.1
56.05033	0.2
56.92141	0.2
62.01585	0.2
63.02388	0.4
67.05488	0.1
69.07052	0.3
70.06589	1.4
70.66915	0.2
72.08154	0.6
78.04700	0.4
78.48151	0.2
79.05478	0.3
80.79029	0.1
81.07056	0.2
84.04503	1.1
84.08141	0.6
86.09702	1.9
89.03913	7.4
91.05473	1.1
93.07029	0.3
95.04977	0.4
103.05477	0.6
105.07054	0.2
106.04173	0.5
107.04935	0.3
107.08619	0.2
110.07183	0.3
111.04348	0.2
115.05432	1.6
116.15248	0.2
117.03374	26.0
118.03696	0.4
119.04933	0.8
120.08096	0.5
121.06516	0.3
124.05227	0.3
129.04448	0.3
129.07030	0.2
129.10266	0.4
130.05023	0.3
130.06531	0.2
132.05707	0.2
133.02745	0.2
134.03629	2.0
135.04411	1.7
136.07594	0.2
137.05975	1.2
138.06325	0.2
143.04941	1.0
144.05719	0.2
145.02840	60.7
146.03185	1.0
147.04396	1.9
148.04836	0.2
149.05971	9.2
151.03880	1.2
158.05986	0.5
160.05193	2.1
161.06015	0.3
162.03116	0.3
163.03922	0.7
166.08636	0.3
175.07553	6.1
177.05461	100.0
178.05809	1.4
181.04979	0.2
186.05469	1.7
187.05771	0.2
192.06570	0.5
201.12309	0.2
206.08142	0.3
218.08110	6.7
223.07503	0.2
226.11710	0.2
229.39153	0.2
255.10052	0.2
268.07297	0.3
283.09622	0.5
310.11063	0.2
311.09100	0.4
315.12354	0.2
342.13553	2.3
343.11752	0.5
350.66785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
55.01876	10.9
56.16913	0.8
58.09023	0.9
59.89455	1.0
65.03938	8.5
67.05504	2.4
68.05027	1.3
68.99774	1.4
70.06599	5.4
70.72173	2.8
79.05492	10.3
80.05014	2.7
84.04501	1.0
84.08123	1.5
93.03405	12.9
93.05761	0.9
94.06569	16.9
95.04966	6.4
104.04996	1.7
105.04536	0.9
107.01311	1.0
107.04951	2.3
110.07143	1.4
111.00780	1.2
111.04440	39.1
118.97700	0.8
122.06009	7.2
123.04410	7.7
129.01819	3.9
132.04448	3.4
134.05997	2.0
137.05974	1.0
139.00290	2.0
139.03899	100.0
145.73390	0.8
147.15413	0.8
150.05504	13.2
151.06187	1.3
157.01273	1.6
180.06538	1.8
229.11697	1.5
342.15869	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	342.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.1
51.13572	0.1
65.03934	0.8
69.07040	0.3
70.06583	2.5
70.20328	0.4
71.83889	0.1
72.08148	0.4
76.65770	0.1
79.20078	0.1
82.06618	0.1
84.04490	0.4
84.08130	0.4
86.09704	2.7
87.10023	0.2
88.03984	0.2
89.03909	1.9
91.05470	10.4
92.05798	0.2
105.07058	0.1
106.04150	0.2
107.62695	0.1
110.07133	0.2
115.05436	0.4
116.07091	0.4
117.03374	5.7
119.04931	25.8
119.17301	0.1
120.05254	0.8
120.08125	0.3
122.03601	0.2
129.10223	0.3
132.04431	1.4
134.03630	0.5
134.05983	0.3
134.63435	0.1
135.04353	0.3
137.05920	0.9
143.04878	0.4
145.02835	13.2
146.03180	0.2
147.04396	100.0
148.04730	4.4
148.05634	0.1
149.05969	1.6
150.05498	1.1
151.03900	0.4
151.05833	0.2
158.05887	0.2
160.05182	0.6
163.03847	0.2
166.08662	0.3
175.07530	2.3
177.05457	21.9
178.04921	0.4
178.06042	0.2
183.14876	0.2
186.05492	0.4
192.06516	0.3
195.05298	0.2
196.05994	0.6
201.12357	0.7
202.04935	0.2
218.08125	2.0
222.09102	0.2
229.15486	0.9
236.07082	0.2
277.78915	0.1
282.07639	0.3
296.08987	0.2
324.08603	0.2
342.09613	0.3
342.13339	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	341.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01866	1.7
55.05505	4.0
56.05025	1.6
56.69692	1.0
60.04526	1.3
61.02926	1.9
65.03933	4.0
67.05505	18.8
69.03421	4.4
69.07066	2.8
70.02929	1.4
70.06593	18.5
71.59582	1.4
72.08146	10.7
73.04750	1.2
74.06069	1.4
79.05495	4.7
80.05024	2.3
81.03418	3.6
81.07053	8.5
82.06577	3.4
83.04995	3.4
83.08607	1.4
84.04513	5.0
84.08134	14.6
85.06532	2.7
86.06071	1.2
86.09702	24.7
87.05548	1.2
89.03911	11.0
91.05453	22.1
92.25606	0.9
93.05782	1.6
93.07043	13.3
94.04140	1.1
94.06576	1.5
94.07390	1.0
95.04972	10.0
95.08636	1.7
96.04492	2.7
96.08124	1.7
98.06058	3.0
100.07631	1.1
103.05450	2.3
107.04955	2.8
108.08117	21.6
109.06516	38.3
110.06039	11.2
110.07163	5.1
111.04448	3.7
111.08092	1.5
112.08720	1.1
114.05585	1.8
115.05420	3.1
116.07113	4.8
117.03374	32.7
117.05623	1.2
117.07032	1.5
118.06554	1.2
119.04938	27.0
120.08101	3.5
121.06501	2.1
122.03641	1.2
123.08057	20.0
124.07598	8.3
125.05956	1.1
125.09631	1.6
126.05531	2.2
126.09154	3.5
128.07080	1.7
129.07033	1.6
129.10219	5.7
130.05048	2.0
131.04916	2.2
132.04454	1.5
133.02870	1.4
134.03679	2.9
134.06065	2.1
135.04413	4.8
136.06534	2.1
136.07573	43.5
137.05972	11.6
137.07967	1.2
138.05482	28.4
138.06509	1.8
139.03894	6.1
141.09102	3.2
141.10173	1.8
145.02841	65.6
145.06514	1.4
146.03163	1.9
147.04402	87.8
148.04796	1.3
149.05971	11.6
150.05501	4.9
151.03951	2.1
151.07565	1.8
152.07040	2.1
154.08627	62.6
156.06558	36.7
156.07819	2.5
158.07263	1.1
160.05223	3.6
163.07570	1.7
166.08586	1.6
168.10208	1.7
169.08595	1.6
170.08115	14.5
173.09605	1.5
174.06805	1.5
175.07539	8.5
177.05473	100.0
178.05887	2.0
178.08649	2.3
179.05922	2.4
180.06488	1.4
186.05476	2.1
186.11241	23.0
187.07507	2.5
188.07515	1.3
188.09181	18.2
188.10748	1.5
195.05336	1.8
197.12848	1.5
199.18098	1.9
199.66664	1.0
200.10733	2.2
201.09163	2.3
202.05074	2.0
207.07738	4.6
216.10306	1.5
217.08620	2.2
218.08052	8.3
218.11784	2.6
224.07103	1.6
228.10225	3.8
229.08629	3.3
246.11336	3.6
247.09764	3.6
249.09561	1.3
251.10759	1.0
256.09457	1.2
269.09256	6.2
274.10727	6.7
279.10498	1.1
291.10309	2.1
291.13452	8.7
292.11700	8.1
309.11182	2.0
309.14404	14.0
323.12695	3.7
324.14209	1.3
341.07690	3.5
341.10953	2.0
341.17136	41.8
342.13507	3.9
342.17337	1.8
359.02927	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	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
56.05032	0.6
56.80713	0.3
61.02905	0.3
66.11956	0.3
69.03423	1.0
70.06600	2.6
70.97566	0.8
72.08150	1.4
73.04763	0.3
76.48508	0.3
79.05502	0.5
80.90491	0.3
81.03424	0.7
82.06574	0.4
84.04511	0.7
84.08141	3.5
85.02891	1.2
86.09708	2.0
89.03912	0.8
91.05807	0.9
95.04971	0.3
96.65052	0.3
97.02869	0.7
100.39614	0.3
102.63721	0.4
105.03378	0.8
105.74542	0.3
107.04964	0.6
109.02872	0.4
110.07152	0.9
117.03336	0.3
118.22566	0.4
119.04986	0.4
120.08083	0.5
123.04433	14.1
127.03887	0.4
129.10268	1.8
133.02849	10.3
134.06036	0.4
135.04419	3.0
136.07607	0.8
137.05965	0.7
147.04427	1.0
149.02344	0.4
149.05939	0.3
151.03905	4.4
152.07051	0.9
164.07053	0.4
178.08604	0.4
179.03395	100.0
180.03690	1.5
190.08589	0.7
220.05241	0.5
234.06802	0.5
235.07613	0.7
262.06171	0.9
263.07245	0.7
279.06503	0.4
294.05093	0.4
295.89035	0.4
296.09052	0.5
297.09967	0.4
298.10754	0.6
308.06653	0.4
312.12311	1.1
323.09091	0.8
324.12180	0.6
341.10263	3.1
341.17841	0.4
364.79678	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	339.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.02166	0.7
55.05510	37.0
57.03435	18.7
57.07075	17.8
59.04972	0.7
66.82602	0.7
67.05502	23.0
68.62317	0.6
69.07068	49.1
69.97379	3.6
71.04989	1.4
71.08636	7.3
77.88863	0.6
79.05492	12.8
79.05914	0.6
81.06593	0.9
81.07056	26.1
83.08617	31.6
85.06547	1.9
85.10172	3.2
91.05459	2.1
93.07040	14.8
93.27947	0.6
95.08603	24.7
97.06538	5.0
97.09553	1.0
97.10166	17.0
98.20814	0.8
99.08073	1.5
105.07024	1.9
107.08594	7.8
109.10149	11.4
111.08096	3.9
111.11715	5.2
119.08562	2.0
121.10140	14.9
123.11710	3.0
125.09601	2.0
125.13269	0.7
133.10152	3.0
135.11676	10.0
137.13225	1.2
138.79488	0.6
139.11165	1.7
147.11691	2.7
149.13268	5.8
151.14809	1.4
153.12782	0.9
163.14819	2.7
165.16322	1.4
175.11183	2.0
177.16373	1.0
181.15886	0.8
247.24158	3.3
247.74557	0.7
265.25287	4.6
283.16888	13.8
284.17090	0.8
324.61331	0.7
339.28925	100.0
340.29199	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	340.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01865	2.7
55.05505	2.3
57.03426	1.1
57.07064	0.9
65.03889	0.7
67.05500	4.7
69.03419	2.5
69.07063	11.0
69.21838	0.7
69.66569	0.7
70.12524	2.8
71.04988	11.4
79.05082	0.8
79.05495	10.8
81.03432	1.5
81.07060	4.4
83.04965	3.2
83.08627	0.7
84.04493	0.9
84.08127	0.9
85.06535	8.4
86.09702	100.0
87.10019	1.2
91.05467	11.2
93.07035	11.9
93.15485	0.7
95.04978	3.4
95.08607	1.9
97.06554	1.9
98.21472	0.8
99.08099	2.9
100.11246	2.6
103.05430	0.8
105.07027	13.7
106.98524	0.7
107.04966	5.2
107.08583	16.8
109.06523	3.2
111.04430	5.3
117.03383	2.5
117.07009	5.7
117.80565	0.6
118.03741	1.1
119.08566	9.0
121.06511	5.9
121.10139	8.3
123.04423	0.9
123.08124	0.9
123.15333	0.6
128.10707	4.5
129.07005	3.0
131.04933	0.8
131.08556	20.3
132.10193	26.7
135.04440	3.3
135.08083	1.7
135.11667	1.5
137.05965	0.8
137.09613	4.7
137.10664	0.6
145.02812	3.8
145.06491	3.2
145.10118	15.0
146.03214	4.5
147.08090	5.0
147.11673	1.9
149.05959	2.7
149.09613	39.5
155.07021	0.7
155.08533	0.8
156.10211	0.9
163.07542	1.7
163.11168	16.5
165.09091	4.9
165.12764	2.0
167.10664	45.8
168.11006	1.3
173.09637	5.6
177.05455	5.8
178.05817	10.9
179.06081	0.8
181.25385	0.7
191.10661	32.8
192.10985	1.1
192.13918	1.2
200.06198	0.8
206.15450	1.3
208.13377	1.2
209.11713	37.8
210.11946	0.7
210.14914	6.5
222.72087	0.8
238.14427	2.0
248.14308	0.8
252.15936	1.8
256.15506	2.5
258.18631	2.5
266.14804	0.8
276.19586	16.9
294.20651	9.5
304.19171	2.5
322.20078	14.8
323.20917	0.8
324.29279	0.8
340.11688	0.7
340.21283	8.9
343.30640	1.1
355.41519	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	339.289
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
55.05509	42.9
57.03158	1.7
57.03433	24.8
57.07069	17.9
65.55546	1.0
67.05502	31.0
69.07065	55.3
69.85004	6.1
71.04977	2.5
71.08627	9.5
79.05486	10.5
81.06593	2.0
81.07053	32.0
83.08614	32.0
85.06531	2.0
85.10172	5.4
91.05499	1.4
93.07033	16.2
95.04998	1.1
95.08604	31.2
97.06532	4.9
97.10161	21.7
98.20782	1.3
107.08593	11.7
107.28574	0.9
109.10147	13.8
111.08070	4.5
111.11717	6.9
121.10130	16.3
123.11684	2.9
125.09619	1.8
125.13282	1.4
135.11673	12.0
137.13248	1.7
139.11159	2.3
149.13232	5.4
151.14780	1.8
153.12671	1.3
163.14790	2.5
165.16373	1.5
247.24297	4.3
265.25204	4.6
339.28918	100.0
340.29321	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	339.2892
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03934	1.2
55.01871	0.8
55.05510	42.8
57.03436	21.3
57.06799	0.9
57.07076	17.5
65.03930	1.0
67.05138	1.2
67.05500	27.0
69.07066	50.4
70.69740	0.7
71.04991	1.4
71.08631	8.7
71.19963	1.6
76.51276	0.7
79.05494	12.5
81.07053	30.4
82.07415	0.8
83.04956	1.0
83.08617	31.7
85.06548	1.8
85.10172	4.0
89.52601	0.6
91.05488	2.3
93.01391	0.8
93.07043	14.8
95.04958	0.9
95.08606	28.7
97.06529	4.6
97.10159	18.0
99.08090	1.6
105.07014	1.0
107.08590	8.9
109.10152	11.5
111.08069	4.0
111.11692	5.7
121.10137	14.3
123.11705	4.9
125.09644	3.0
125.13226	1.3
133.10184	1.0
135.04405	1.1
135.11678	12.6
135.12607	1.2
139.11151	2.8
146.93414	0.7
149.05998	1.2
149.13213	5.6
151.14882	1.1
153.12729	1.1
154.50011	0.7
163.14816	1.6
165.16422	1.2
177.05347	0.9
177.16396	1.6
191.18033	1.2
194.06454	0.7
247.24152	2.7
265.25339	4.0
339.28928	100.0
340.28995	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.05506	13.9
57.03426	7.8
57.07056	7.8
57.88133	2.0
59.46059	1.8
67.05499	100.0
69.07059	18.7
71.04977	3.9
79.05489	47.5
81.07053	82.7
82.07364	2.1
83.04964	2.0
83.08591	7.6
85.06499	3.2
91.05464	25.5
93.07039	58.9
95.04951	4.1
95.08602	87.9
97.06522	3.4
97.10143	5.1
99.08072	2.4
105.07016	19.5
107.08597	44.8
107.93089	1.9
109.10153	49.5
111.08070	3.0
111.11742	2.1
117.07005	9.4
119.04940	2.3
119.08578	25.3
121.10133	45.3
123.11690	21.0
131.08557	19.3
133.10112	17.6
135.04396	6.7
135.11682	27.6
137.09616	4.2
137.13243	5.4
139.11168	3.0
145.02818	5.6
145.10091	18.8
147.11661	16.8
149.05978	9.7
149.13260	21.0
151.07553	2.5
151.11266	2.3
151.14787	2.5
158.21230	2.3
159.11690	20.8
161.13284	4.5
163.14822	6.3
165.12741	3.9
173.13255	12.5
177.05443	8.5
187.14769	5.6
202.09944	2.4
203.17880	2.6
219.21034	3.3
224.65659	2.4
229.19484	24.6
247.20555	88.0
248.20924	5.1
265.21561	8.3
283.16943	14.2
321.24146	13.4
326.31604	2.1
339.25186	23.0
356.25787	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	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03936	2.5
55.01857	2.2
55.05509	16.6
57.03416	5.0
57.07058	7.2
65.03928	4.2
65.55505	1.7
67.05504	91.4
69.07057	17.1
70.80853	3.9
71.04961	3.3
72.47648	1.9
79.05492	49.6
80.04995	2.7
81.07052	100.0
82.07365	2.3
83.04959	2.3
83.06109	9.1
83.08607	7.3
84.04443	2.7
85.06556	2.2
88.07617	2.0
91.05477	27.3
93.07043	58.0
95.04968	4.7
95.08605	93.3
96.08961	1.9
97.06504	3.6
97.10161	6.8
97.66270	1.8
105.07030	24.6
107.07895	2.3
107.08591	41.9
109.06541	2.3
109.10149	52.7
111.08092	3.2
113.09650	1.7
117.06987	8.2
119.08561	16.9
121.10133	44.5
123.08031	3.6
123.11716	17.7
131.08557	15.4
133.10127	16.5
135.04399	7.0
135.08017	2.4
135.11685	27.4
137.13249	5.8
139.11221	2.0
145.02779	3.7
145.10120	19.2
147.11697	18.3
149.05959	10.5
149.13239	15.4
151.11139	2.6
153.12683	2.2
159.11690	18.5
161.13266	5.8
163.14821	7.1
165.12788	1.7
173.13272	12.8
175.11143	3.7
175.14799	2.5
177.05421	9.6
186.90337	1.6
187.14783	2.9
212.99237	1.9
217.12370	2.5
219.21053	5.7
229.19528	21.8
230.19878	2.1
247.20575	75.3
248.20888	4.5
265.21710	4.8
283.16913	22.2
308.70151	1.7
321.24286	8.5
321.28867	5.0
322.27234	4.2
334.67130	2.0
339.16245	2.7
339.25223	17.8
339.30002	23.3
340.16412	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	339.1622
Annotation	Hapalindole G
Peak:m/z	Relative Intensity
55.01863	4.4
55.05514	16.8
55.40862	2.4
57.03418	2.7
67.05492	14.4
69.03429	2.6
69.07057	9.1
71.60207	4.1
79.05492	12.6
81.07045	9.7
83.08614	5.0
84.97427	2.5
91.05493	7.3
93.07042	9.1
95.04967	4.6
95.08588	5.9
97.01112	3.3
97.10175	6.2
105.07031	8.7
107.08577	15.7
109.06528	2.3
109.10185	6.8
119.04887	4.0
119.08534	3.3
121.10098	5.2
125.00565	11.4
125.09631	7.2
126.98476	18.0
133.06523	3.8
133.10106	2.8
134.07266	5.1
135.04420	7.7
135.08040	8.4
139.02122	9.7
139.05859	2.2
145.02872	3.2
147.11766	3.0
149.05957	11.0
151.07518	3.9
153.00082	5.7
153.09052	5.2
159.11768	2.3
167.05280	5.0
169.22910	2.5
171.10162	8.6
173.11699	2.3
175.11186	4.1
177.05463	6.5
189.11176	4.0
193.06847	2.5
195.04756	100.0
207.08342	4.0
217.12282	6.8
274.49347	2.5
275.14664	6.2
283.16907	10.0
285.13074	2.7
286.10840	3.0
293.15729	9.9
303.14026	5.2
321.15216	43.0
339.28439	3.9
339.77884	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	339.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00825	0.8
51.02352	1.0
53.03937	1.0
55.05515	2.2
56.05032	2.5
57.05854	1.0
60.04512	1.6
65.03937	1.8
67.05505	1.7
69.03421	3.3
69.07067	0.9
70.06596	8.1
70.76616	2.5
72.08162	4.9
74.06072	1.2
79.05491	4.7
80.05011	3.1
81.03441	1.0
81.07059	6.8
82.06564	1.4
83.06086	2.1
84.04485	4.3
84.08135	7.3
85.02907	1.6
86.09703	3.3
89.03880	1.3
91.05486	4.5
93.05756	1.2
93.07032	1.9
94.06550	4.3
95.04967	1.2
96.08123	2.5
104.05350	1.0
106.06546	2.0
107.04983	0.9
107.07369	0.9
107.40095	0.8
108.08105	1.6
109.05298	1.2
109.67385	0.8
110.06042	9.9
110.07156	1.7
112.08718	1.7
116.07127	1.0
117.03380	7.8
120.08109	2.5
122.06026	22.4
123.04444	3.0
123.06783	2.7
124.07584	18.8
126.05476	1.2
129.10240	2.8
134.06010	21.9
135.04422	4.1
136.07576	87.7
137.05975	2.6
137.07874	1.0
138.05432	1.4
140.07054	6.8
145.02831	14.7
147.04398	1.9
149.05983	5.2
150.05505	7.9
152.07059	93.6
158.08122	1.4
161.06015	1.0
162.05566	1.4
163.03885	1.2
164.07066	100.0
165.07402	1.7
166.08682	1.6
168.06558	1.9
170.08141	11.7
172.11209	1.9
173.09189	1.3
174.09521	0.9
176.07123	2.4
177.05463	30.9
178.03236	2.0
178.08690	1.1
182.08133	25.1
184.09785	0.8
186.07663	1.1
196.14491	1.7
200.10745	2.2
214.12283	2.6
216.08986	2.3
232.13326	1.7
242.11763	2.0
260.12790	5.2
279.06802	0.9
285.12164	2.1
286.10730	6.6
303.13379	58.0
304.13712	2.1
321.14471	10.5
339.09573	1.7
339.13351	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	339.134
Annotation	N-Caffeoyl serotonin
Peak:m/z	Relative Intensity
53.03918	0.8
55.05504	0.8
56.05016	2.3
59.12814	0.5
59.22694	0.5
60.04506	1.0
61.02929	0.7
69.03427	3.4
70.06595	8.4
71.51336	0.8
72.08144	4.7
74.06080	2.9
79.05513	0.6
80.05022	1.7
81.03385	0.9
83.06087	1.4
84.04499	2.8
84.08136	5.6
85.02886	0.9
85.08474	0.6
86.09707	3.8
89.03913	4.4
91.05464	1.6
94.06584	0.9
95.05015	0.6
98.97529	0.6
103.05465	0.7
107.04956	0.7
109.02866	0.5
110.06017	1.0
110.07161	3.6
112.08715	1.0
115.08632	0.6
117.03374	10.8
120.08092	2.8
121.08404	1.4
122.06020	1.2
123.04425	12.5
127.03900	2.0
129.10248	2.6
130.06541	0.7
134.03702	0.9
134.06059	0.9
135.04408	12.4
136.06224	0.6
136.07584	2.6
136.08542	0.6
137.05978	1.2
141.24283	0.5
145.02838	27.6
145.08615	0.7
147.04401	0.7
148.07573	0.9
149.05963	5.2
150.05502	2.5
152.07053	2.1
162.05502	1.5
163.03896	4.4
164.07080	1.7
175.06300	0.8
176.07037	6.3
177.05461	54.0
178.05836	1.1
186.05498	0.9
188.07002	1.0
189.07924	0.7
192.07690	0.6
195.06577	0.9
199.08727	0.9
201.06628	2.4
202.07330	1.6
203.03319	2.5
207.05360	1.3
208.08337	0.5
211.78329	0.5
214.07320	2.7
215.08162	4.2
216.08922	21.3
217.09735	7.2
217.11990	1.1
222.13219	1.1
229.09680	3.0
238.08347	0.5
239.06792	0.6
247.32057	0.6
252.10252	0.6
265.13220	0.6
276.10205	0.9
280.09616	0.6
283.08163	0.7
286.10764	2.5
293.12851	2.1
298.10962	1.0
303.13412	2.0
309.08737	1.3
311.13876	0.8
321.12277	1.0
322.10767	1.2
323.10327	1.6
324.10916	3.6
339.13397	100.0
340.13782	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	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.35549	0.4
51.35979	0.3
55.05492	0.4
56.05016	1.3
56.58804	0.3
57.03436	0.4
60.04519	0.5
61.02906	1.2
63.02364	0.4
63.71725	0.3
69.03428	5.3
69.07062	0.5
70.06586	4.8
71.56843	0.5
72.08146	2.2
74.06058	1.1
79.05463	0.5
79.64667	0.4
80.04987	1.2
81.03390	0.4
83.06084	0.6
84.04504	2.1
84.08156	3.1
85.02876	1.0
86.09708	2.5
86.98455	0.3
88.03962	0.4
89.03909	4.9
90.50851	0.4
91.05461	1.3
93.07020	0.6
95.04970	0.4
97.02891	0.6
98.06058	0.5
103.05447	1.3
106.04171	0.4
107.04932	0.4
109.02885	0.7
110.06040	0.8
110.07157	1.9
112.08687	0.5
115.08669	0.4
117.03374	20.3
119.04944	0.5
120.08089	1.9
121.08443	0.8
122.06076	0.5
123.04427	4.5
125.04401	0.4
127.03893	2.5
129.10233	1.7
130.06544	0.4
134.03612	1.6
135.04408	6.0
136.07564	0.9
137.05983	2.1
137.26920	0.4
145.02840	48.6
145.08606	1.0
146.03218	0.6
147.04419	1.1
148.07571	0.6
149.02271	0.5
149.05969	8.0
150.05492	1.1
152.07123	0.7
158.06064	0.8
161.05972	0.6
162.05473	0.9
162.16418	0.4
163.03859	2.5
163.09685	0.4
164.07080	1.3
175.11932	0.4
176.07048	2.3
177.05463	100.0
178.05777	1.3
186.05505	1.3
195.06467	0.6
201.06624	0.6
202.07390	0.6
203.03482	1.0
214.07396	0.8
215.08176	1.2
216.08951	7.7
217.09744	3.0
217.11871	0.7
222.13158	0.8
229.09787	1.8
265.13287	0.4
268.52151	0.4
286.10880	1.5
293.12784	2.8
303.13553	1.8
309.08936	0.6
311.13971	0.9
321.09290	0.5
321.12509	0.6
322.10846	0.7
323.10196	0.5
324.10901	1.8
339.13452	40.0
340.13617	0.9
341.16446	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	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
57.58853	0.3
60.99884	0.2
61.02923	0.3
63.02367	0.3
69.03428	12.3
70.06606	0.3
70.06934	1.1
75.93047	0.2
78.04705	0.3
81.03423	0.6
85.02909	0.4
89.03916	5.5
91.05489	0.7
95.08642	0.3
97.02900	1.1
99.04453	0.4
103.05426	0.2
106.04164	0.6
108.61304	0.2
109.02882	0.8
109.10086	0.2
117.03375	17.7
119.04894	0.4
126.16417	0.2
127.03909	5.3
134.03627	1.4
135.04422	1.3
137.05930	0.6
139.63010	0.2
145.02838	49.5
146.03146	0.7
149.05981	6.8
161.05890	0.3
163.03905	0.5
165.56950	0.2
175.03944	0.3
177.05463	100.0
178.05786	2.0
186.05513	1.2
187.07594	0.2
189.05502	0.3
195.06570	0.8
217.08707	0.2
231.06441	0.4
233.08057	0.5
257.07956	0.2
261.07639	0.6
279.10138	0.3
321.09689	2.0
339.10794	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	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
58.02445	0.3
59.05792	0.3
61.02920	1.2
63.02378	0.3
69.03429	9.0
69.52213	2.4
78.04715	0.4
79.05470	0.3
81.03416	3.5
85.02906	0.9
89.03915	5.3
91.05490	0.8
95.04959	0.5
97.02911	1.8
97.03454	0.2
98.21426	0.7
99.04458	0.6
103.05477	0.4
106.04192	0.6
107.04943	0.4
109.02869	2.2
109.58015	0.3
117.03374	21.2
121.10130	0.3
127.03910	4.3
134.03632	1.1
135.04399	1.7
137.05988	1.1
137.89767	0.4
145.02838	52.9
146.03192	0.6
147.04340	0.4
149.05977	7.5
151.03928	0.4
158.06059	0.4
163.03903	0.6
176.25748	0.3
177.05460	100.0
178.05783	1.5
186.05498	1.5
187.07391	0.3
195.06497	1.1
231.06406	0.3
261.07419	0.4
279.10272	0.4
307.09637	0.3
321.09631	1.1
339.10510	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	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
54.09163	0.3
61.02927	1.3
63.02347	0.3
69.03427	6.8
69.03785	0.6
69.24375	1.1
69.24792	1.9
75.19072	0.4
81.03406	0.4
85.02889	0.6
88.99499	0.3
89.03405	0.5
89.03912	4.4
89.04429	0.4
91.05482	0.3
97.02917	0.6
103.05437	0.6
109.02843	0.5
117.03374	16.3
120.08134	0.4
127.03906	2.6
134.03650	1.3
135.04398	0.8
137.06004	0.5
145.02841	47.0
146.03178	0.8
147.04364	0.4
149.05971	6.0
158.05898	0.3
163.03963	0.8
177.05461	100.0
178.05859	2.4
186.05533	0.9
195.06528	1.0
231.06485	0.4
307.06598	0.5
321.09610	1.1
339.10718	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	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10611	0.3
61.02929	1.1
62.99782	0.2
63.02376	0.3
65.25533	0.3
66.29741	0.3
66.94402	0.3
69.03426	6.1
69.03717	0.2
70.06583	0.3
81.03422	0.5
81.12551	0.3
85.02894	0.4
89.03906	5.2
91.05482	0.6
92.20424	0.3
97.02902	0.7
106.04179	0.4
109.02886	0.4
116.85606	0.3
117.03377	18.9
127.03909	2.9
134.03641	1.3
135.04393	1.0
135.61879	0.3
137.05986	0.7
145.02840	50.6
146.03149	0.6
149.05972	6.7
163.03885	0.6
177.05460	100.0
178.05792	1.8
186.05515	1.0
195.06593	0.7
205.10971	0.2
207.06453	0.3
233.08060	0.3
261.07596	0.4
270.68677	0.3
293.12988	0.3
321.09570	1.2
339.10733	4.5
346.60461	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	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.04261	0.2
55.93681	0.2
61.02929	0.9
63.02386	0.5
69.03428	5.7
70.33761	0.3
72.08146	0.2
73.84567	0.2
80.42926	0.2
81.03420	0.3
84.08120	0.3
85.02904	0.5
86.09650	0.2
86.54700	0.2
89.03907	3.6
91.05464	0.4
97.02888	0.6
99.04405	0.2
103.05513	0.3
106.04158	0.6
109.02914	0.3
109.07623	0.2
117.03376	15.7
118.03754	0.3
121.06470	0.3
127.03918	2.9
133.18886	0.2
134.03635	0.8
135.04425	0.9
137.05997	0.4
145.02840	44.7
146.03214	0.6
149.05978	5.4
162.03168	0.3
163.03897	0.3
175.07545	0.2
177.05461	100.0
178.05807	1.7
186.05511	1.1
195.06581	1.0
233.08173	0.3
307.09421	0.2
321.09634	0.7
335.19128	0.2
339.10721	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	338.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01861	1.9
55.05509	30.9
56.05846	8.2
57.03150	1.6
57.03431	19.6
57.07082	5.8
58.03758	3.9
65.03925	2.4
65.78434	1.2
67.05502	60.4
68.05830	19.8
69.07064	37.8
70.06588	1.7
70.07391	11.2
71.04992	1.8
71.08616	4.5
71.21980	2.4
71.22366	2.0
79.05489	17.6
80.05810	4.4
81.07053	57.4
82.07384	20.6
83.04990	1.7
83.08617	15.3
84.08940	4.9
85.06538	2.5
85.10173	1.8
89.06011	3.2
91.05480	10.1
92.05791	3.1
93.07039	14.0
94.07371	6.4
95.04985	1.2
95.08604	37.1
96.08934	18.4
97.06523	4.0
97.10175	7.3
98.10490	4.0
99.08076	2.2
105.00039	1.3
105.07050	7.3
106.07375	4.0
107.08592	8.5
108.08919	5.1
109.10155	15.0
110.10485	10.6
111.08041	2.7
111.11708	2.1
119.08578	4.4
120.08918	3.7
121.10146	6.1
122.10475	5.3
123.08072	1.9
123.11709	5.6
124.08434	1.4
124.12050	4.0
125.09669	1.4
133.08667	1.3
133.10117	3.6
134.10466	4.0
135.04370	2.0
135.11623	2.4
136.11989	2.1
137.13261	2.6
138.13611	1.7
147.11674	3.7
148.12015	2.0
149.05988	3.4
149.13287	2.7
150.13527	1.2
161.13289	2.9
162.13535	1.6
164.15149	1.7
175.14796	1.9
176.15170	2.3
177.05496	2.1
190.16855	1.8
193.04950	2.0
195.12245	1.3
224.65826	1.5
240.06279	1.3
246.23082	1.4
253.53304	1.1
264.24042	3.7
280.85049	1.3
307.58719	1.2
338.27682	100.0
339.27628	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	338.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.6
60.04512	2.3
60.05657	1.9
69.03429	2.5
69.07038	2.1
70.06580	11.8
71.08916	3.8
72.08150	18.4
72.13551	1.5
74.06062	2.2
76.11124	1.7
84.04488	4.1
84.08121	7.8
86.09687	7.6
88.03973	2.7
91.05460	2.8
102.05507	2.5
110.07151	4.2
111.32026	1.7
112.87164	1.7
117.03347	1.9
119.04969	1.9
120.08101	40.7
121.08432	3.6
123.04450	1.9
125.76847	1.7
127.04977	3.2
129.10219	8.2
130.06506	6.0
134.06026	2.2
136.07542	8.7
145.02844	11.2
146.05952	4.7
147.04436	2.3
150.05515	2.3
158.06001	2.7
158.09276	2.0
162.05482	5.1
163.03975	4.9
163.06276	94.6
164.07091	10.3
166.08609	4.0
168.08086	1.8
173.05688	1.8
174.05504	7.0
175.11922	2.3
176.07083	9.7
177.05461	22.6
177.10139	2.1
178.04959	8.1
182.08099	4.3
184.07593	4.5
186.05530	6.7
188.07069	6.4
189.07805	2.2
190.04990	15.0
190.08698	3.4
191.05452	2.8
191.11743	5.2
196.07603	4.3
200.07007	2.1
202.05000	11.8
202.08575	5.9
204.06552	52.5
205.06873	2.2
212.07048	2.9
218.07845	1.6
220.05994	3.9
228.06439	2.5
230.08080	8.7
232.05989	17.7
235.10667	6.0
246.07695	2.6
248.09245	4.1
258.07626	3.3
260.05423	5.0
276.06372	1.0
276.08630	47.1
320.07635	100.0
321.04391	1.9
321.07718	3.4
338.08719	15.4
338.18161	5.8
339.09427	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	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03936	1.3
55.01837	0.8
55.05510	35.2
57.03163	1.2
57.03436	23.3
57.07075	5.4
65.03933	2.3
67.05502	75.2
69.07066	41.2
71.04986	1.9
71.08622	1.8
79.05490	20.7
81.07053	78.9
82.07375	1.7
83.04961	2.3
83.08613	22.6
85.06528	2.6
85.10210	1.0
91.05480	11.0
93.07041	18.8
95.04964	1.4
95.08603	56.8
95.15810	0.8
96.08944	1.3
97.06532	4.7
97.10159	11.1
99.08080	1.6
105.07024	9.2
106.45937	1.0
107.08595	9.8
109.10156	28.3
111.08061	3.9
111.11716	2.6
113.09637	1.0
119.08565	7.5
121.10135	8.6
123.11709	9.7
125.09627	1.8
131.08585	1.1
133.10121	7.3
135.11693	5.7
137.09612	1.0
137.13248	2.9
139.11159	1.4
147.11668	5.2
149.13235	3.3
151.14818	1.2
161.13246	4.8
163.14763	2.7
165.12773	1.0
165.16385	1.4
175.14809	3.2
177.16451	1.2
186.82304	0.9
189.16394	1.4
214.00136	0.9
245.22633	3.3
263.23657	5.5
337.27347	100.0
338.27664	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	337.2735
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03940	1.5
55.01867	1.4
55.05510	33.2
57.03156	1.4
57.03433	20.8
57.07069	6.9
65.03925	2.5
67.05502	72.3
69.07067	43.7
70.77108	2.3
71.04982	2.2
71.08607	4.0
79.05485	18.8
81.07053	74.0
83.04972	1.9
83.08617	22.7
85.06532	2.9
87.30322	0.8
88.82820	0.9
91.05470	11.2
93.07038	17.8
95.04978	1.9
95.08604	61.5
96.08910	1.0
97.06536	5.6
97.10155	11.0
99.08068	1.9
105.07024	10.0
107.08578	11.9
109.06499	1.1
109.10149	28.0
111.08064	2.8
111.11714	2.5
119.08589	7.2
121.10139	10.2
123.08034	1.4
123.11707	10.6
125.09602	1.5
133.10124	8.9
135.11671	4.4
137.13271	3.8
139.11189	1.3
140.85666	1.0
143.20186	0.9
147.11671	5.4
149.13248	2.9
151.11206	1.0
151.14824	2.2
161.13260	4.2
163.14792	3.8
175.14796	3.6
177.16391	1.0
193.15820	1.1
207.17461	1.1
245.22621	4.6
262.58524	0.8
263.23727	6.4
276.02386	0.8
337.27353	100.0
338.27737	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	337.2732
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.02377	0.4
53.00296	0.5
53.03939	1.7
55.01863	1.6
55.05508	34.4
56.05848	0.5
57.03433	22.6
57.07073	5.8
58.03775	0.5
65.03935	2.6
67.05499	73.9
68.05840	1.1
69.03445	0.3
69.07063	42.3
69.64833	0.6
69.65237	1.9
70.07406	0.7
71.04992	2.0
71.05318	0.3
71.08622	1.9
73.06545	0.6
78.41652	0.3
79.05488	18.8
81.07049	70.5
82.07391	1.0
83.04977	1.9
83.08611	20.1
85.06535	2.2
85.10176	0.9
91.05472	12.0
91.06020	0.7
93.07036	17.3
95.04967	1.2
95.08598	52.4
96.08939	1.0
97.06512	4.3
97.10161	11.1
98.20755	0.6
99.08076	1.9
101.05985	0.4
105.07026	7.9
107.08582	9.8
109.06522	1.0
109.10146	18.3
111.08057	2.4
111.11711	2.3
113.09656	0.9
117.07054	0.5
119.08563	7.5
119.09361	0.6
121.10132	9.3
123.08076	1.5
123.11694	10.1
125.09637	1.2
127.07521	0.4
133.10120	7.8
135.11694	4.5
137.09627	1.2
137.13234	3.8
138.08076	0.3
139.11151	0.7
145.10181	0.4
147.11681	5.2
149.13251	2.4
151.11176	0.7
151.14848	1.8
153.12738	0.8
159.11787	0.3
161.13242	4.2
163.14818	2.4
165.12709	0.6
167.14351	0.7
175.14813	2.7
177.16382	0.6
179.17856	0.4
181.15866	0.5
189.16330	0.8
193.15779	0.6
195.40605	0.4
203.18025	0.7
235.55254	0.4
245.22652	1.5
263.23697	4.0
337.27341	100.0
338.27689	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	337.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30498	1.9
70.06580	3.9
70.34912	4.1
72.08139	3.5
79.29986	1.7
84.08121	3.0
89.54959	2.0
91.87432	1.9
94.99827	2.3
101.00867	12.1
103.02431	9.7
104.10703	2.6
110.52510	1.8
113.00865	5.6
119.01922	30.5
121.03482	7.1
127.02437	10.3
131.01898	35.8
133.03401	2.2
137.05933	3.5
145.03455	71.0
147.01421	3.6
149.02940	4.9
155.01910	18.9
156.88489	5.7
157.03445	33.8
161.02927	5.7
163.04453	8.2
167.01961	2.4
168.00574	2.9
168.05069	2.5
171.01390	10.9
173.01465	3.0
173.02953	54.7
174.89580	5.8
175.04529	12.1
183.01366	4.9
184.06393	4.5
185.02907	13.5
186.01704	2.8
189.02455	16.8
191.10236	2.7
193.01910	2.5
199.00827	6.8
201.02429	6.0
203.04004	2.9
211.00922	3.3
217.01917	100.0
221.04985	4.6
229.01923	47.6
235.02985	48.8
239.06125	6.6
247.02977	27.9
252.91829	2.1
253.04129	5.5
258.04529	6.0
265.04062	5.1
275.06052	4.7
277.04028	4.3
301.11737	3.3
319.05057	7.3
336.94794	11.1
337.08105	21.3
337.11035	26.5
337.17203	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	336.9488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45411	2.4
53.26966	2.3
58.53616	2.2
60.05646	3.3
63.51173	1.9
64.49634	2.0
66.89278	2.3
70.06586	4.1
70.75848	2.2
71.22048	3.4
88.51712	2.1
94.93007	5.0
96.92831	2.8
98.91960	2.4
104.30206	2.0
111.65786	2.1
112.86565	2.0
135.78859	2.2
150.91920	3.3
154.12917	2.3
156.88554	41.9
174.89587	31.2
175.11922	3.2
180.90408	8.5
228.90767	2.3
237.25720	2.3
246.91722	3.8
276.92804	7.3
318.93784	20.3
323.18088	2.7
336.94873	100.0
337.17130	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02362	0.9
51.32115	0.9
53.03938	3.4
55.01870	3.1
55.05510	15.6
56.57564	0.7
57.03439	26.5
57.07074	5.0
65.03944	2.7
67.05502	91.9
69.07066	16.3
69.98689	1.7
69.99103	3.5
70.06599	0.8
71.04983	1.9
71.08621	1.7
77.03900	0.7
79.05491	56.0
80.04988	0.9
81.03413	1.6
81.07053	100.0
82.07403	1.1
83.04979	2.5
83.08622	8.5
83.92659	0.7
85.06538	3.1
88.07644	1.7
89.07954	1.0
91.04904	1.5
91.05476	27.2
93.07040	67.0
94.07389	1.0
95.04963	5.6
95.08602	77.9
96.08934	1.4
97.06538	3.8
97.10155	3.7
99.08081	1.8
103.03925	1.1
105.04523	0.8
105.07024	18.7
107.08589	33.8
109.06518	2.2
109.10151	31.8
110.10521	0.8
110.88676	0.8
111.08089	1.5
115.05434	1.1
117.07004	7.9
119.07809	1.3
119.08582	15.4
121.10139	27.5
123.08080	1.7
123.11703	12.0
129.05484	5.6
129.06992	1.0
131.08554	17.2
133.10124	13.5
135.08095	1.6
135.11688	21.6
137.09641	1.6
137.13243	4.6
139.11214	0.8
143.08548	0.9
145.10112	12.1
145.11177	1.1
147.11676	9.3
149.09619	2.5
149.13242	10.6
151.14801	1.9
151.81117	0.7
155.07039	1.2
155.08488	0.8
157.10130	1.1
159.11681	9.3
161.13252	7.8
163.11168	1.8
163.14822	8.1
165.16318	1.0
173.13231	9.5
175.14818	5.5
177.12796	1.3
177.16402	3.3
179.14421	1.1
182.72978	0.8
187.14813	5.1
189.16507	0.7
191.14282	1.3
195.13765	0.7
201.16417	2.3
203.17961	0.7
205.15929	1.7
209.40125	0.8
215.17993	0.9
217.19519	2.4
219.17502	1.0
219.21198	1.6
230.88094	0.7
233.22685	1.9
243.21089	17.2
243.25133	2.2
245.22627	1.3
261.22122	16.0
277.21652	1.4
279.23175	1.8
284.42953	0.7
287.27664	0.8
291.23248	1.8
293.23441	0.7
299.23596	1.1
305.24762	1.1
317.24792	8.8
318.09869	0.9
335.25830	90.6
335.29755	8.0
336.26114	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	335.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03947	3.2
55.01862	1.0
55.05508	27.4
57.03435	28.0
57.07080	2.2
57.86758	0.4
65.03942	4.5
67.05502	100.0
68.05837	0.8
69.03443	1.0
69.07065	24.3
69.76367	2.8
71.04987	2.8
71.08636	0.6
77.03939	0.9
79.05488	51.4
81.07051	85.0
83.04981	2.8
83.08610	9.0
85.06536	1.5
91.05479	25.4
93.07037	51.4
94.07346	0.6
95.04984	4.3
95.08600	66.0
96.08924	0.9
97.06527	3.3
97.10155	3.7
99.08074	1.1
105.04519	1.5
105.06310	0.9
105.07026	14.9
107.08585	23.0
109.06517	2.1
109.10147	23.7
111.08086	1.4
117.07018	4.3
119.08578	10.3
121.10139	18.7
123.08084	1.7
123.11687	7.2
125.09635	0.9
131.08553	7.2
133.10120	6.6
135.11691	11.5
137.09581	0.9
137.13237	2.4
145.10109	4.8
146.21590	0.5
147.11659	4.4
149.13229	4.6
151.14755	0.6
159.11728	3.5
161.13266	3.3
163.11200	0.6
163.14836	1.8
173.13234	2.7
175.14845	1.2
177.16347	1.0
179.14354	0.5
187.14793	1.6
195.85042	0.5
201.16400	0.9
261.22137	2.3
291.13113	0.5
335.25778	91.0
336.26187	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.06679	0.7
53.03954	4.6
55.01865	1.5
55.05510	30.0
57.03437	30.6
57.07061	3.0
57.24324	0.7
60.07831	0.7
60.09604	0.7
65.03939	5.4
67.05502	100.0
69.03445	0.9
69.07066	24.0
69.93831	4.9
71.04977	2.2
79.05491	55.9
80.55307	0.8
81.03413	1.0
81.07054	91.7
83.04974	2.2
83.08618	9.8
85.06535	2.2
88.71292	0.9
91.05479	28.2
91.14059	0.8
93.07039	58.1
95.04946	6.2
95.08604	70.4
96.08912	0.8
97.06512	2.4
97.10155	3.4
98.98442	0.9
100.12927	0.8
103.66841	0.8
105.04512	1.1
105.07030	16.6
107.08590	24.3
109.06521	1.5
109.10155	28.5
111.08073	1.2
117.07021	4.2
119.08582	10.9
121.10141	19.0
123.08042	1.5
123.11697	7.9
131.08577	8.5
133.10124	7.0
135.11682	12.6
135.12703	1.0
137.09605	1.0
137.13292	1.9
139.11133	1.0
145.10092	4.5
147.11662	5.3
149.13237	5.0
151.14827	1.0
159.11684	2.8
161.13237	3.5
163.11253	0.8
163.14799	1.4
173.13210	3.8
175.14778	2.1
220.57999	0.8
243.21211	1.5
261.22092	2.8
279.60556	0.8
294.94232	0.8
335.25790	91.8
336.26035	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05513	16.9
57.03432	25.5
67.05505	74.6
69.07060	20.2
69.22312	22.1
79.05487	40.6
80.88567	2.3
81.03399	2.1
81.07052	75.6
82.28748	2.2
83.08611	8.9
91.05477	17.3
93.07043	44.1
95.04964	2.7
95.08603	70.7
98.20776	3.8
105.07038	12.4
107.08603	20.8
108.08858	2.5
109.06506	2.6
109.10149	23.9
111.11729	2.5
117.07011	5.6
119.08575	8.8
121.10145	18.0
123.11675	11.4
131.08540	6.7
133.10107	7.9
135.11723	12.6
136.38562	2.3
137.09587	2.3
137.13249	4.5
145.10138	7.1
147.11676	6.7
149.13284	7.2
159.11656	4.3
161.13332	3.7
173.13264	3.4
175.14958	3.0
187.14787	2.7
226.77458	2.3
243.21100	2.9
259.16388	2.1
261.22165	8.7
317.24890	3.2
330.36600	2.4
335.25793	100.0
336.26129	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03930	3.4
55.01845	1.1
55.05508	20.3
57.03168	1.8
57.03434	26.3
57.07044	3.0
62.67709	0.8
65.03939	4.9
67.05502	91.7
67.66793	0.9
69.07061	19.8
70.75736	1.5
71.04969	2.0
71.08639	1.1
76.54263	0.8
79.05488	46.2
80.05801	0.9
81.03387	0.8
81.07050	86.2
82.07378	1.8
83.04962	1.4
83.06493	0.8
83.08617	7.6
85.06513	2.4
85.73434	0.8
91.05474	21.2
93.07040	50.5
94.07388	0.9
95.04962	2.9
95.08601	66.9
97.06516	3.6
97.10165	2.9
99.08060	1.1
105.04501	1.8
105.07028	12.2
107.07887	1.7
107.08586	26.1
109.06500	2.4
109.10154	27.6
111.08058	1.4
117.07011	4.3
119.08571	13.3
121.10139	20.1
123.07998	1.1
123.11694	9.4
125.09605	1.5
129.05573	1.0
131.08562	8.6
133.10121	9.5
135.11681	14.6
136.80881	0.8
137.13237	2.1
138.02121	0.9
145.10124	7.0
147.11652	5.8
149.13249	7.5
151.11156	1.0
151.14868	0.8
153.27509	0.8
159.11661	4.8
161.13240	6.5
163.14799	4.1
173.13231	4.9
175.14787	2.1
177.16353	1.4
182.57520	0.9
187.14799	3.6
201.16423	1.0
243.21053	4.7
261.22070	6.2
279.23181	1.0
317.24890	3.2
325.98093	0.9
335.25784	100.0
336.26096	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	4.4
55.05509	24.6
57.03205	2.1
57.03434	28.2
57.07076	3.0
65.03928	3.7
67.05505	100.0
68.70622	1.6
69.07066	25.0
79.05022	2.3
79.05489	58.2
81.07054	86.8
81.11488	1.8
83.04984	2.0
83.08611	9.2
91.05480	24.9
93.07043	57.0
95.04973	2.5
95.08607	75.3
97.06522	2.5
97.10163	3.2
104.69380	1.9
105.07030	18.0
107.08584	31.9
108.80869	1.8
109.06458	1.8
109.10149	30.4
111.08009	2.3
114.13164	1.7
117.07024	6.9
119.08601	13.6
121.10141	24.2
123.11703	12.6
131.08577	10.3
133.10124	9.1
135.11693	15.5
137.13179	2.0
145.10120	6.5
147.11658	7.0
149.13258	7.6
159.11664	3.4
161.13228	5.4
163.14848	2.6
172.26945	1.7
173.13222	3.6
187.14825	2.1
206.09091	1.7
236.93871	2.2
241.70288	1.9
243.21107	3.6
261.22202	8.2
335.25787	90.7
336.26184	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.7
56.80489	1.1
56.96547	1.1
57.03423	4.4
58.94352	1.0
67.05501	16.6
69.07050	4.2
70.98403	2.6
77.39579	1.2
79.05503	9.7
80.05019	1.6
81.07047	13.9
83.08591	1.7
91.05479	5.5
93.07029	11.7
95.08614	10.7
97.10118	1.7
102.34914	1.2
105.06999	3.0
107.08593	4.5
107.75256	1.1
108.14053	1.1
109.06535	1.5
109.10144	4.8
119.08526	2.9
120.09840	1.2
121.10159	2.4
123.11761	1.4
125.46960	1.1
133.10147	3.0
135.11658	1.9
137.05965	1.9
145.10056	2.2
147.11688	1.6
149.09642	1.2
149.13266	2.0
173.13315	1.7
195.10031	1.9
242.13412	1.1
243.20976	1.2
261.22186	1.9
277.21616	2.1
335.21951	100.0
335.25781	13.8
336.22256	4.5
336.25500	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	335.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05311	1.9
55.01865	3.7
55.05511	2.0
56.05031	1.7
56.47799	1.6
57.03432	13.6
57.07078	100.0
58.18723	1.7
60.18857	1.6
61.02911	3.0
65.03905	1.6
67.05497	2.1
68.11950	1.6
69.03419	5.1
69.07077	2.1
70.06591	23.8
70.50281	4.3
71.01352	18.6
71.04969	1.8
71.06922	2.6
72.08159	8.8
73.02573	2.2
73.02922	24.5
74.06047	2.3
79.05480	2.1
81.07034	1.9
83.01326	3.3
83.08643	2.3
84.04494	7.0
84.08147	9.8
85.02908	41.4
85.06546	48.7
85.08435	2.2
86.09707	15.5
91.05464	4.6
92.05039	1.8
92.56963	1.5
95.01337	11.6
97.02888	12.2
99.00800	5.8
101.02383	6.8
103.03950	8.2
103.07600	9.1
107.08571	1.7
110.06026	3.2
110.07157	6.0
113.02373	19.1
116.02042	1.6
116.07077	3.1
120.08115	8.8
121.08474	3.6
122.06019	3.4
123.04453	1.7
124.07599	1.8
126.09110	1.7
129.10225	6.0
131.03407	9.5
131.08566	1.9
136.07605	3.5
137.06065	1.5
138.05484	3.9
141.01814	24.7
145.02888	1.7
149.54973	1.7
150.05525	3.6
152.07030	3.0
159.02887	4.2
159.10173	54.0
163.03885	2.5
164.07047	2.0
169.04993	3.8
177.11270	3.6
182.04498	1.5
182.08249	1.6
187.06169	2.7
192.02882	5.9
197.04453	3.0
197.10730	2.0
198.09174	1.7
201.11189	5.2
204.12421	1.6
210.03946	3.5
210.07837	2.1
215.05508	4.1
215.08240	2.1
225.10135	4.4
226.08662	1.9
229.09689	2.6
242.10378	3.2
243.11331	4.5
257.09274	17.0
261.12244	2.5
271.10855	12.3
287.10229	2.8
288.10843	4.1
289.11844	14.6
299.10242	18.2
317.11368	77.0
317.14777	4.2
335.12729	14.7
349.15598	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	335.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82132	1.3
55.05509	2.0
56.04753	2.4
56.05032	45.4
60.04529	3.2
61.01151	32.5
62.54573	1.4
67.34650	1.4
68.05006	1.5
69.03438	3.2
69.07057	4.7
70.06593	34.9
71.04993	1.6
71.06929	2.1
71.57360	2.3
72.08154	19.7
74.06071	1.7
80.05002	1.4
81.03424	2.4
81.07052	3.7
82.06535	1.2
83.06108	1.9
84.04502	100.0
84.08138	22.7
85.02882	3.4
86.06057	1.4
86.09702	33.5
88.03950	2.2
91.05503	7.3
92.41442	1.2
93.07049	3.1
94.06573	2.5
95.04948	2.7
97.02838	1.4
98.06044	13.1
102.05539	30.7
103.05467	2.7
104.05321	61.8
105.03358	1.7
105.07024	3.0
107.08579	1.8
109.02876	3.4
109.06525	1.7
110.06038	2.4
110.07167	12.8
110.09698	1.6
112.08711	2.1
115.08694	2.7
116.07082	11.5
119.04926	3.3
119.08603	3.1
120.08100	31.3
121.08424	2.6
122.06013	3.8
123.04425	2.6
127.03934	2.0
129.10257	13.3
130.04979	3.9
130.06494	2.0
130.08641	1.7
131.08565	2.0
132.08083	3.4
136.07584	6.2
137.05978	3.9
142.71005	1.4
143.11790	4.5
144.06558	66.3
146.06337	30.4
147.04427	1.6
150.05504	5.1
151.06331	2.2
152.07036	3.1
154.76878	1.5
159.09210	2.9
161.05945	1.4
161.09547	2.0
162.07605	90.9
164.07239	1.7
166.08733	2.0
170.06010	2.6
171.11346	1.7
174.05815	10.4
176.09273	1.7
188.07054	3.9
205.09808	2.0
233.16422	2.4
243.11180	1.7
271.10901	2.3
273.12271	2.0
285.12363	1.6
286.10834	3.1
287.10217	4.9
299.10229	2.5
300.08514	1.6
303.13440	4.3
317.11298	9.9
317.14981	4.6
318.09836	2.0
335.12396	3.3
346.30566	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	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69889	0.7
52.29510	0.6
53.03938	1.1
55.01859	1.3
55.05511	8.4
55.73590	0.6
56.05028	1.9
56.05849	0.8
56.96572	0.6
60.04524	0.9
60.99129	0.7
64.08379	0.6
67.05483	1.3
68.04993	0.9
69.03423	1.0
69.07058	1.3
69.55607	3.7
69.56017	1.7
70.06581	11.3
72.08152	3.6
74.06075	1.1
80.04981	1.6
81.03404	1.4
82.06557	1.0
83.06096	4.2
83.08620	9.3
84.04513	4.1
84.08133	5.7
84.08926	1.0
86.09706	8.8
87.09995	0.7
91.05481	1.1
92.05000	1.2
94.06549	2.1
95.04948	1.0
96.04503	1.6
98.06034	0.8
101.09644	1.5
103.05470	0.7
105.07047	1.0
108.04483	1.6
110.06020	2.3
110.07159	4.4
110.95170	0.7
111.04449	0.8
111.24600	0.7
115.05442	0.9
115.08681	0.8
116.07062	1.7
117.07023	0.8
118.06553	0.8
120.04449	1.6
120.08138	3.3
121.08405	1.0
122.06027	4.5
124.03917	1.6
124.07569	2.1
126.05577	1.0
126.09111	2.0
129.06548	4.8
129.10228	3.0
130.06595	1.1
131.07274	0.7
136.03908	1.3
136.07578	5.9
137.05937	1.3
138.05479	0.9
143.08504	1.0
143.11800	0.9
144.08072	3.3
145.09050	0.7
146.05998	1.6
146.09624	1.3
148.03917	1.5
150.05489	1.9
152.07082	1.7
154.06618	1.0
155.07263	1.1
155.08452	0.7
156.08018	2.9
157.06497	0.9
157.08807	0.9
158.05995	1.5
158.09645	2.3
160.07574	3.3
161.10744	1.0
162.05484	1.2
162.09215	0.8
164.03477	1.0
164.07057	1.7
166.05020	1.2
168.08102	1.5
170.06058	1.2
170.09639	4.2
171.09164	0.9
172.07594	8.5
172.09892	1.2
172.11224	1.3
173.08423	0.9
173.10660	3.6
174.05563	0.8
174.07796	1.6
174.09158	3.2
175.08653	5.8
176.07022	0.7
182.08255	1.6
182.09700	1.4
183.06824	1.7
183.09192	1.1
184.07571	9.8
185.07080	0.9
185.08527	0.9
186.07797	1.6
186.09216	7.1
187.08609	2.2
187.12303	5.9
188.07079	1.7
188.09305	1.6
188.10818	1.3
189.07495	0.9
189.10164	4.3
190.08627	0.9
192.02835	0.8
197.10797	1.6
198.09151	12.4
199.08600	4.0
200.07059	13.6
200.09363	3.7
200.10968	1.3
201.06470	1.0
201.10223	12.9
202.08739	1.3
210.04016	0.8
210.07800	1.3
211.08585	4.2
212.07112	3.5
213.06541	2.8
213.10220	2.0
214.07170	2.7
214.08690	3.5
214.10915	1.3
215.08176	2.1
215.11794	17.5
216.08662	1.3
216.10431	1.0
217.09712	7.5
225.10187	3.5
226.08739	6.1
227.08165	9.9
228.06532	2.9
228.08598	1.4
228.10489	1.0
229.09712	28.7
230.10251	1.3
239.08102	1.5
241.09706	2.5
242.08250	1.3
242.10527	2.8
243.07571	1.3
243.08551	1.1
243.11299	30.0
245.09210	30.1
246.09894	0.9
253.09682	9.7
254.07997	1.0
257.09192	14.5
258.09845	2.2
259.10800	7.2
261.12341	1.3
271.10760	100.0
272.11078	2.6
273.12219	3.8
275.10251	1.6
281.09192	14.1
286.09988	1.0
287.10242	29.9
288.11014	1.7
289.11813	14.8
299.06839	1.8
299.10245	31.2
300.10422	0.8
305.11282	9.2
307.12802	0.7
317.11313	30.2
317.14828	1.8
335.12247	7.1
335.15173	4.6
350.30566	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	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05510	6.8
56.05013	2.1
57.74597	0.6
58.06559	0.7
60.04504	1.2
60.52279	0.7
60.99134	0.7
65.03934	0.8
67.05461	0.7
69.03402	0.7
69.07047	1.4
69.46836	0.9
69.47236	4.5
70.06592	13.8
71.06915	0.7
72.08148	6.4
74.06055	2.0
79.05485	1.1
80.04999	1.6
81.03415	0.9
81.06987	0.9
82.13949	0.5
83.04997	0.6
83.06105	4.3
83.08604	8.5
84.04496	4.9
84.08130	5.7
84.08935	1.1
85.02894	0.8
86.09702	9.8
87.10037	1.3
91.05459	2.6
92.04974	1.1
93.96858	0.6
94.06567	1.8
95.01363	0.7
95.04951	1.2
96.04477	1.6
96.08077	1.0
97.02893	0.8
98.06027	1.2
101.09604	0.6
103.05433	0.8
104.05369	0.9
105.07055	1.0
106.06529	1.4
107.04971	1.1
108.04466	1.6
109.02898	1.0
109.06583	0.7
110.06017	2.0
110.07159	4.6
112.08681	0.9
115.05409	0.7
115.08717	1.1
116.07047	2.2
117.07037	0.7
118.06532	1.1
119.04942	0.9
120.04424	1.6
120.08101	3.8
121.08460	0.8
122.05996	4.9
124.03963	1.0
124.07568	1.7
126.05547	0.7
126.09089	1.7
128.06224	1.1
129.06575	3.6
129.10240	3.2
130.06497	0.9
131.08501	0.8
132.08044	1.1
134.06003	0.8
136.03914	1.1
136.07559	6.3
137.05907	1.6
138.05482	1.2
143.07321	1.1
143.08530	1.3
144.08089	2.4
145.10114	0.7
146.05989	1.8
146.09637	1.8
147.09157	0.9
148.03906	1.2
150.05513	2.8
152.07040	1.9
153.07036	0.6
154.05023	0.8
154.06419	1.1
155.07263	1.5
155.08446	0.9
156.08060	3.1
157.10022	0.7
158.08395	1.4
158.09619	2.7
160.07541	2.8
160.10027	0.7
160.11269	0.9
161.10791	0.8
162.05421	1.1
162.09138	0.7
164.07037	3.2
166.04974	1.2
167.07140	1.0
168.08084	0.7
170.06032	1.0
170.09628	3.9
171.09163	1.1
172.07574	6.8
172.09915	1.9
172.11240	1.5
173.10770	3.1
174.07851	1.9
174.09135	2.8
175.08656	5.1
176.07027	0.7
182.04532	1.0
182.08249	1.5
183.06657	0.8
184.06082	0.9
184.07559	8.2
185.06981	1.1
186.07790	1.7
186.09145	4.9
187.08626	2.2
187.12308	4.8
188.07077	2.0
188.09421	1.7
188.10901	0.9
189.10231	3.7
196.07579	0.8
197.08229	1.1
197.10699	2.1
198.09146	13.6
199.06393	0.8
199.08609	3.7
200.07047	11.3
200.09396	5.1
200.10994	1.3
201.06563	1.0
201.10193	11.5
202.08838	0.8
205.09683	0.9
207.08525	1.5
208.07547	0.9
210.03935	1.4
210.07825	0.7
211.06764	1.0
211.08556	4.1
212.07066	3.8
213.06578	2.1
213.10262	2.4
214.07283	2.8
214.08734	2.5
214.10767	1.5
215.08115	2.2
215.11780	18.3
216.08832	1.5
217.09674	5.7
225.10201	4.5
226.08646	5.9
227.08162	9.3
228.06532	2.9
228.08893	2.9
229.09691	27.3
230.10226	1.9
239.08183	1.9
241.09734	2.6
242.10425	3.8
243.11276	31.4
244.11700	1.4
245.09206	28.6
246.09319	1.0
246.28505	0.7
253.09656	6.8
254.08008	1.3
255.07745	0.8
257.09216	14.0
258.09839	1.2
259.10739	6.6
261.12378	1.2
271.10754	100.0
272.11285	3.4
272.17126	0.9
273.12274	4.5
274.10638	1.0
275.10272	1.4
281.09219	12.8
287.10236	27.6
288.10928	1.7
289.11832	13.7
299.10226	30.4
304.10507	0.8
305.11310	7.9
306.11575	1.1
317.11310	29.6
317.14651	1.6
318.11569	1.2
335.12344	7.3
335.15344	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	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
54.97037	0.9
55.61902	0.8
57.03427	2.5
61.02915	2.9
61.29624	0.9
64.65835	0.8
69.03416	6.2
70.06583	1.3
70.36888	0.8
70.82733	2.3
71.04987	14.4
71.75470	1.0
73.02914	1.0
79.05496	1.1
81.03413	2.7
81.07069	1.0
84.04501	1.2
85.02902	28.1
86.09705	2.4
91.03938	1.5
91.05483	11.9
93.07059	1.3
97.02889	8.3
99.04452	1.3
105.07030	1.2
107.04943	0.8
107.08520	1.2
109.02910	1.3
110.06487	0.9
117.07031	1.5
119.04937	7.9
119.08561	0.8
127.03916	5.5
130.06517	2.3
131.08630	1.0
132.08096	1.5
135.08072	1.4
137.05975	100.0
138.06352	1.4
144.08102	1.0
145.04962	8.0
151.07527	1.4
155.07040	6.8
159.09183	2.7
163.06026	1.4
179.07068	1.5
180.08629	3.1
195.10161	2.9
203.07002	1.3
203.70477	0.9
209.72948	0.8
213.11244	5.2
263.09109	1.6
317.11118	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	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01853	0.4
55.05507	5.2
56.05030	3.7
57.03419	0.8
57.07066	2.5
60.04522	100.0
61.04861	0.6
62.09131	0.3
67.05501	9.6
68.05032	1.3
69.03437	0.4
69.07068	7.4
69.07425	0.6
70.06592	0.9
70.82369	0.5
71.04989	0.7
71.08640	2.1
72.04517	2.9
73.01311	0.3
74.06062	1.7
79.05488	3.9
80.05019	1.5
81.03408	0.6
81.07050	10.9
82.06580	1.6
83.04974	0.9
83.08619	5.8
84.04506	0.8
84.08144	0.7
85.06538	0.4
85.10186	0.8
86.06063	0.8
90.05529	1.2
91.05479	2.9
93.07039	3.1
94.06557	0.9
95.04961	0.9
95.08601	12.8
96.08138	1.3
97.06502	0.6
97.10154	3.1
98.06058	1.2
102.05532	2.5
105.07027	2.0
107.08604	1.8
108.08141	0.8
109.10153	5.8
111.11707	0.8
112.07641	0.6
116.07092	1.8
119.08572	1.1
120.06580	1.0
121.10130	1.8
123.11720	1.8
125.13301	0.7
133.10138	0.9
135.11670	0.9
137.13284	1.0
147.11636	0.4
149.13235	0.4
151.14839	0.4
212.22905	0.3
221.22641	0.6
225.22084	0.4
239.23599	1.7
242.24741	0.3
250.25308	1.0
251.23659	0.6
254.24602	0.3
262.25266	1.5
263.23648	0.6
263.42929	0.4
268.26337	1.0
280.26364	9.9
298.27374	15.9
299.27618	1.0
316.28439	40.3
317.28690	1.8
330.19080	0.3
334.29483	28.6
335.29758	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	333.263
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
55.05500	25.8
55.84156	8.0
57.07069	10.1
67.05499	65.8
69.07069	26.1
70.06609	15.0
71.04993	9.6
71.51532	11.5
72.08140	8.8
75.34447	8.7
75.95365	7.7
79.05477	36.9
81.07056	65.9
83.04982	9.7
83.05551	8.9
83.08624	16.1
84.08126	26.4
85.02901	10.8
85.06541	10.9
86.09703	11.0
91.05463	33.7
93.07039	32.5
94.06544	10.4
95.04965	10.0
95.08621	67.9
97.06530	16.3
98.98469	100.0
100.98827	7.7
104.20602	8.1
105.06995	22.4
107.04955	32.7
107.08578	15.9
109.10144	32.5
112.29127	9.5
119.08630	12.2
120.08147	9.8
121.10140	25.5
123.11700	17.1
131.08560	8.5
133.10112	14.7
135.11716	14.5
137.05968	37.3
137.13223	12.1
139.88878	9.4
145.10094	14.4
147.11674	14.0
150.05447	11.1
167.07036	16.1
176.98952	19.0
179.14372	8.8
185.17570	8.6
261.22058	11.9
263.42139	8.6
279.23239	45.5
288.10187	10.4
315.11914	19.4
319.06125	8.6
333.14185	9.5
333.27747	23.1
334.29568	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	333.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
55.01879	7.3
55.05509	20.2
57.03159	1.4
57.03430	25.8
57.07064	1.7
65.03945	5.1
67.05501	100.0
68.01363	0.9
68.05833	1.8
69.03403	1.1
69.07066	15.8
70.17645	4.1
70.29441	0.8
71.04973	2.6
73.02904	3.2
77.03923	1.3
79.05488	59.2
81.03425	1.3
81.07050	63.2
82.07349	1.1
83.04962	1.5
83.08614	4.8
85.06526	1.1
91.05475	33.5
93.07038	51.9
94.07369	1.3
95.04980	6.9
95.08600	51.8
97.06480	1.4
97.10164	1.8
98.98455	1.5
103.03948	1.6
105.04533	1.2
105.07028	16.5
107.08586	27.7
109.06530	2.2
109.10149	16.3
117.07018	4.4
119.08569	12.6
121.10142	16.3
123.11680	4.6
128.98625	1.1
129.05463	22.1
129.06944	1.2
131.08548	4.4
133.10101	10.3
135.08076	1.5
135.11678	11.2
143.08568	1.0
145.10136	3.7
146.99690	1.0
147.11653	5.8
149.09560	1.5
149.13235	3.8
151.11165	2.0
157.10036	1.4
159.11653	1.8
161.13199	4.8
171.11629	1.6
175.14859	2.1
183.38290	0.9
185.13258	1.4
217.19514	1.2
241.19539	1.4
259.20639	1.5
301.73288	1.0
315.16238	1.4
333.17572	2.7
333.24203	46.9
334.24521	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	333.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03949	3.1
55.01874	5.5
55.05511	18.2
56.96567	3.4
57.03438	27.3
57.07078	1.4
57.95520	0.7
65.03942	4.3
67.05504	100.0
68.05849	0.7
69.07064	13.8
69.07420	0.9
71.03088	1.1
71.03452	1.6
71.05002	2.0
73.02914	2.6
77.03928	1.3
79.05492	55.8
79.09477	0.7
79.81114	0.6
80.05832	0.9
81.03445	0.7
81.07053	62.3
82.07388	1.1
83.04988	1.4
83.08629	5.3
85.00031	0.7
91.05479	34.5
92.05844	0.7
93.07042	53.5
95.04964	6.4
95.08604	50.3
96.08945	0.7
97.10161	1.4
98.98483	1.2
103.03931	1.7
105.04523	1.3
105.07024	16.4
105.07700	1.3
105.56404	0.6
107.04985	0.8
107.08594	26.3
107.09315	1.6
109.06529	2.4
109.10154	20.1
110.97549	1.1
117.07017	3.1
118.03911	0.6
119.08586	13.6
121.06524	2.0
121.10146	17.2
123.08109	0.9
123.11694	4.6
127.92892	0.6
128.98604	2.1
129.05482	25.7
129.06999	1.9
131.08531	5.3
133.10136	13.1
135.08095	1.9
135.11684	10.8
137.09598	1.3
137.13313	1.0
143.08614	1.1
145.10109	3.4
147.11642	6.4
149.09619	1.0
149.13228	4.0
151.11209	2.1
157.10135	1.4
159.11694	3.2
161.12064	0.9
161.13199	4.2
171.11719	2.0
173.13312	1.9
175.14832	2.3
185.13281	1.5
199.14653	1.2
211.13399	0.8
215.18011	1.3
217.19608	1.7
230.08655	0.7
231.21069	1.1
241.19566	2.4
259.20667	1.5
315.16351	4.9
315.23276	0.7
333.17999	8.5
333.24216	57.5
334.24506	3.3
351.18320	1.9
356.18976	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30551	0.6
55.05517	0.6
57.07061	2.0
62.78609	0.5
67.05492	1.9
69.07050	1.7
70.03030	1.2
70.03438	2.3
70.06586	2.0
71.08640	0.9
74.70571	0.5
76.85096	0.5
77.00904	1.5
77.67319	0.6
79.05499	1.8
81.07042	1.4
81.61694	0.6
84.37278	0.7
87.04478	0.9
88.02457	0.5
88.07614	1.6
91.05452	2.1
93.07052	1.3
95.01968	0.9
95.04953	1.0
95.08590	1.4
98.98465	16.4
100.98888	1.2
105.07013	2.1
107.04996	0.6
107.08584	1.7
109.10164	1.3
115.24489	0.6
117.07025	0.8
119.08592	2.9
121.10184	1.5
131.08537	0.7
133.10106	1.7
135.08127	0.5
137.05983	0.8
145.10161	1.0
149.02348	1.8
159.11685	0.8
176.98956	2.3
185.13235	0.6
193.04990	2.3
195.09967	2.4
201.09682	1.0
213.09666	2.1
215.11316	2.2
218.63789	1.0
231.10756	2.2
245.12544	1.1
246.67012	0.7
251.51912	0.6
259.46857	0.6
262.10693	1.3
271.28253	1.4
290.72897	0.8
302.24030	1.1
302.74167	1.2
315.18179	1.7
333.20349	100.0
333.25201	3.8
333.31558	4.1
333.76132	1.3
334.20456	2.9
334.24103	1.3
351.20215	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.07059	1.4
67.05499	1.8
69.07039	1.2
70.06619	1.0
71.08630	1.0
71.45043	1.5
71.45406	1.2
79.05474	0.9
81.07040	1.4
88.07634	1.3
91.05471	2.2
93.07050	1.6
95.08611	2.1
98.98468	13.5
100.98898	1.8
105.06997	1.7
106.68496	0.9
107.04971	1.4
113.75397	0.9
116.99514	1.0
117.07049	1.0
119.08553	2.1
133.10133	2.1
137.05968	2.3
145.10068	1.2
149.02335	2.4
150.39017	0.9
159.11600	1.2
176.98906	1.6
193.04961	2.4
240.56712	0.9
297.66608	1.0
302.10147	1.2
302.23898	2.0
333.20349	100.0
333.26007	4.6
333.31610	1.6
333.75897	1.1
334.20474	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
56.96557	1.1
67.05491	1.7
69.07051	1.0
70.06570	1.0
71.57927	1.1
75.35273	1.1
79.05473	1.7
81.07050	2.5
89.36713	0.9
91.05488	2.5
93.07042	2.0
95.08601	1.7
98.98460	14.0
105.07027	3.3
107.04913	1.2
107.08554	1.1
109.06539	0.9
119.08588	2.1
131.08546	1.2
133.10101	2.1
133.71072	0.9
149.59962	0.9
168.07251	0.9
176.98933	1.6
226.48911	1.0
243.14348	1.5
333.20380	100.0
333.24066	4.1
334.20746	4.2
351.19894	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	333.133
Annotation	Syringopicrogenin A
Peak:m/z	Relative Intensity
53.03936	3.4
55.01870	13.8
55.05500	0.9
57.03427	1.3
57.07078	1.2
61.86280	0.9
62.23302	0.8
65.03917	1.0
67.05489	2.0
69.78692	0.9
69.80305	1.5
69.80695	5.5
70.06608	1.2
79.05496	13.6
81.07053	2.7
91.05489	4.8
93.07055	2.8
93.28546	1.0
95.04986	5.0
95.05549	1.2
98.73075	0.9
98.98461	10.5
100.98913	1.0
103.05463	1.5
105.04562	1.3
105.07008	6.4
106.04172	1.3
107.04948	100.0
108.05283	1.2
109.10148	1.0
111.04419	1.5
111.08038	0.9
119.08582	1.0
121.06490	8.9
121.10167	1.1
125.05985	10.8
130.39954	1.0
131.04918	16.0
133.10156	2.1
135.04434	2.2
135.11688	0.9
136.05205	1.6
137.05978	2.7
145.10176	1.3
147.04343	1.1
148.05199	3.9
149.05972	11.7
151.03729	1.3
152.04797	1.1
153.05476	5.8
155.03424	1.3
155.07008	1.2
159.11678	1.3
166.06281	1.2
168.04309	0.9
169.04968	2.9
170.05766	4.7
173.13312	1.1
176.04648	1.3
176.98982	1.4
177.05469	4.4
179.03352	1.6
179.07060	1.6
181.04953	2.4
181.06490	1.4
181.08496	0.9
182.05772	2.1
183.06554	2.4
185.08089	19.9
193.04973	3.8
193.51590	1.0
194.05765	5.3
196.07280	2.0
197.04515	4.4
197.06161	2.3
197.07980	7.7
200.03198	1.5
207.06537	1.8
208.07265	2.0
209.04343	2.0
209.08083	7.6
209.50937	1.0
211.09650	2.4
212.06812	1.5
213.07539	1.2
221.08160	1.1
223.06023	2.8
224.06812	3.5
225.05545	2.4
225.51633	0.9
227.09119	14.1
239.09142	37.3
240.07697	1.5
241.19385	1.5
251.06924	1.2
253.04988	1.6
255.10245	3.5
256.10776	1.0
257.08072	1.5
267.06317	1.0
268.07303	1.8
269.08032	6.0
271.87189	1.2
283.09573	6.1
284.10397	1.8
285.07547	5.1
287.12921	1.1
299.08807	1.0
300.09866	4.6
302.23990	1.3
315.12268	75.9
316.12634	2.1
333.13568	15.9
333.20435	17.0
333.24432	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	332.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.05027	0.7
58.06592	0.5
60.04522	15.2
61.40477	0.3
61.93092	0.3
64.37418	0.3
67.05502	0.7
68.05022	0.4
69.07064	9.1
69.76865	1.1
69.77290	0.7
70.02950	0.4
70.06587	3.1
71.04994	0.3
72.08148	1.3
79.05501	0.5
80.05016	0.3
81.03430	0.6
81.07034	0.5
83.04971	0.3
84.04502	1.0
84.08138	1.8
86.09703	100.0
87.05583	3.3
87.10027	1.0
91.05475	0.8
93.07050	0.4
95.04938	0.4
98.97565	0.3
98.98465	4.1
107.04963	0.4
107.08606	0.3
110.09688	0.7
115.08617	0.3
116.07180	0.3
120.08086	1.5
122.02724	0.6
124.07570	0.5
125.10768	0.5
128.10704	3.6
129.10233	0.5
132.10202	11.1
135.04410	0.5
136.07584	0.7
137.05963	0.7
146.05997	0.3
155.11783	1.0
161.05978	0.4
173.12857	36.3
173.47000	0.3
174.13289	0.8
175.49127	0.3
176.07561	0.3
181.08568	0.5
183.11354	0.8
193.12285	0.5
201.12329	20.3
202.12651	0.4
211.13393	0.8
219.13399	20.6
220.13873	0.5
272.28143	0.3
314.20691	0.9
332.12936	1.4
332.21753	0.8
333.14432	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	332.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.05509	19.7
56.05032	8.1
57.03440	0.7
57.05821	1.0
58.06597	2.5
58.99579	1.9
60.04510	1.3
61.01142	1.2
64.22504	0.6
68.05042	0.6
68.74779	0.6
69.03436	0.8
69.07072	1.4
70.06588	11.9
71.50934	0.8
72.08150	100.0
72.70401	0.6
74.06075	43.5
76.02222	1.6
79.05453	1.1
79.89919	0.7
81.03417	0.9
81.07049	3.2
82.07396	1.2
83.06093	5.3
83.08614	14.0
84.04501	7.6
84.08145	10.1
86.06068	1.7
86.09702	33.2
86.99043	1.1
88.03985	1.8
91.05489	3.0
93.07039	0.9
95.04976	1.3
95.06051	0.9
95.08630	0.8
98.06063	0.8
98.98462	11.6
101.07150	1.7
101.09653	2.3
102.05505	1.2
104.07099	1.6
105.00092	0.9
107.04953	0.9
110.07195	3.2
110.09669	0.9
111.09232	2.9
115.08674	1.0
116.10725	1.5
119.04913	0.7
120.08124	5.6
121.06517	1.2
123.04473	0.8
128.10710	21.1
129.06613	8.4
129.10237	5.3
130.05026	1.7
130.06822	0.9
132.10205	10.2
135.04430	1.1
136.07590	2.0
137.05984	3.1
137.07886	0.7
138.09146	6.5
141.10249	1.5
141.13890	1.4
142.05110	0.9
142.12277	0.9
143.11806	2.1
144.06575	1.0
145.02921	0.8
146.89030	0.7
153.05496	1.1
153.06671	0.8
155.11826	2.8
156.10222	2.0
157.08774	0.9
162.05452	0.7
162.07596	1.0
163.03870	1.0
167.07086	0.7
169.13380	1.1
173.12852	35.1
175.11777	0.7
176.98888	1.2
183.08017	1.2
183.11298	4.9
184.09750	0.8
187.10748	0.7
187.14391	4.0
197.12938	1.5
199.47395	0.8
201.12331	50.9
202.12636	1.1
205.09036	2.2
214.18031	4.3
215.13872	3.6
229.08554	1.5
229.11906	2.0
233.14960	28.8
234.15196	0.7
243.13513	2.6
265.05826	1.2
288.17950	1.2
314.20193	4.3
323.15262	0.7
332.13635	3.7
333.11035	0.7
333.14771	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	332.2178
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.01873	0.4
55.05505	0.7
56.05037	1.6
58.06592	0.4
60.04517	1.6
61.01148	0.3
61.22593	0.3
67.05497	0.5
69.07063	1.1
70.06589	4.8
71.06922	0.3
72.08157	5.0
74.06063	0.8
75.56791	0.3
79.05485	0.7
80.05049	0.4
81.03391	0.6
81.05836	0.3
82.06570	0.4
83.06083	0.4
84.04006	0.3
84.04498	5.8
84.08138	5.3
85.02910	0.4
85.04810	0.3
85.08478	0.5
86.06084	0.4
86.09702	100.0
87.05617	0.3
87.10033	0.8
88.03999	1.6
90.05552	4.0
90.52620	0.3
91.05468	1.4
93.07039	0.3
95.04960	0.5
95.06068	0.3
96.04497	0.4
97.02960	0.4
98.98469	6.5
102.05534	3.2
103.05473	0.6
104.05310	0.5
105.03402	0.5
105.07030	1.7
106.05037	0.5
107.04965	0.9
109.02873	0.6
109.06519	0.3
110.06026	0.4
110.07160	1.3
111.04456	0.4
115.05424	0.5
116.03448	0.6
116.07102	0.4
119.04925	0.5
120.06622	0.4
120.08106	1.5
121.06481	0.4
123.04439	1.1
123.05576	0.6
129.06621	0.7
129.10236	2.4
130.05014	0.7
130.06526	0.7
131.04932	0.3
133.06482	1.5
135.04462	0.4
136.06163	0.6
136.07558	0.8
137.06003	1.6
141.06558	0.4
144.06557	0.6
146.02740	0.8
147.04437	0.4
148.06039	2.2
149.06012	0.4
150.09195	0.3
151.03951	0.4
152.07098	0.7
152.10753	0.4
156.07632	0.4
157.13354	7.0
158.92024	0.3
160.04227	0.7
161.05966	2.4
163.03970	0.5
164.07039	0.5
165.03725	0.7
167.07022	11.8
168.07428	0.4
170.11810	0.3
176.98842	0.5
180.06601	0.8
183.11227	0.4
185.12878	2.4
185.16466	1.9
193.03218	0.5
193.08636	1.9
197.12869	3.0
199.18050	24.3
200.18338	0.4
201.08864	0.3
201.12346	2.4
211.09674	0.7
213.15982	0.8
213.40602	0.3
215.13905	2.8
219.13347	2.7
225.05748	0.7
225.12303	1.0
227.17540	7.9
229.11859	0.6
243.13327	0.3
261.14233	0.4
314.10455	1.0
314.20670	1.7
315.10107	0.3
332.20895	0.3
333.11026	0.4
336.56863	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	332.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.3
56.05035	12.5
57.03446	0.7
57.05799	0.7
58.06596	5.3
58.99570	1.0
60.04531	1.6
67.05495	1.5
68.05019	1.0
69.07056	2.7
70.06589	12.5
70.83237	1.3
70.83581	0.9
71.07355	0.6
72.08150	50.4
73.04024	1.8
74.06074	30.6
79.05495	0.9
80.04995	0.9
80.22924	0.6
81.03378	0.6
81.07044	2.8
82.06561	0.8
82.07378	0.7
83.04966	2.6
83.06094	1.8
84.03999	0.9
84.04501	17.4
84.08138	11.7
85.02889	0.7
85.08478	1.0
85.92655	0.6
86.06078	1.0
86.09702	39.3
87.02673	0.8
87.05585	1.0
87.10029	1.6
88.03962	0.7
91.05470	4.6
93.07032	1.7
95.04960	1.5
95.08602	1.1
96.08129	0.7
97.02889	0.7
98.06043	0.7
98.09702	0.9
98.98463	10.7
101.07138	24.0
102.05539	3.0
104.05327	1.0
105.07022	0.7
107.04943	2.5
108.08121	1.3
110.06054	0.8
110.07159	2.5
110.09697	4.3
112.07586	1.9
112.08729	1.1
112.11228	2.2
116.07091	1.1
116.99493	0.7
119.04926	2.5
120.08108	5.9
121.06458	0.8
122.06012	0.9
123.04398	4.0
124.07600	0.9
125.01678	1.1
125.06023	0.8
128.10710	16.0
129.06544	0.9
129.10233	11.9
130.05011	0.7
130.06499	0.9
130.08618	1.4
132.10188	2.6
134.06036	0.8
135.04384	0.8
136.07556	3.4
137.05984	8.5
137.81555	0.7
142.12294	2.2
143.11794	8.6
144.06558	5.6
146.06041	1.0
147.04387	2.6
149.05945	1.6
151.07536	0.6
152.07059	1.3
153.05443	1.8
155.11755	2.1
158.06032	0.8
159.11272	0.8
161.05969	0.7
162.05487	1.7
162.07616	9.0
163.03891	2.4
164.07108	2.6
165.05501	3.2
165.07881	6.0
169.06355	0.7
171.11392	1.3
173.12854	100.0
174.13158	1.6
176.98886	1.2
177.05389	0.7
180.07805	0.8
183.00461	0.8
183.11246	0.8
187.14424	14.2
190.05009	1.3
191.05312	1.6
196.06953	0.8
201.12326	27.7
211.11836	0.7
215.13876	5.6
219.13400	1.9
229.01018	1.2
231.17101	2.8
301.10666	0.8
315.09256	0.6
332.03494	0.8
332.14401	2.2
333.14566	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	332.2177
Annotation	Leu Ser Ile
Peak:m/z	Relative Intensity
55.05490	0.5
56.05018	0.6
60.04520	16.3
67.05502	0.5
69.07059	1.5
69.73369	1.5
69.73776	0.8
70.06587	3.0
72.08149	1.7
76.45820	0.4
79.05506	0.4
84.04519	0.6
84.08138	1.4
86.09701	100.0
87.05583	1.8
87.10023	0.8
88.03979	0.5
91.05474	1.1
93.07024	0.7
98.98449	3.2
110.09698	0.5
120.08102	1.9
122.02743	0.6
125.10759	2.8
128.03348	0.4
128.10693	2.6
129.10255	0.8
130.05023	0.4
132.10197	15.0
136.07585	0.5
137.05974	1.0
138.05504	0.4
155.11760	2.4
173.12845	25.9
183.11295	1.0
201.12338	23.8
206.57407	0.5
219.13388	26.5
229.11760	0.6
240.13808	0.4
264.99832	0.4
295.29150	0.5
314.07312	0.4
314.20837	1.4
315.13428	0.7
332.15619	0.5
332.21579	0.7
333.14499	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	332.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.7
55.05502	3.7
56.05022	7.6
59.32301	1.6
60.25141	1.6
69.03411	3.5
70.06600	10.3
71.05752	3.3
72.07767	3.7
72.08154	60.5
73.10330	1.7
74.06073	1.8
79.05500	3.0
81.07045	12.3
82.06560	1.9
84.04503	76.3
84.08141	11.5
85.02890	5.2
85.04818	1.8
86.09705	90.8
87.10023	2.2
90.05538	1.6
96.08089	2.5
97.02871	2.5
97.06511	4.3
98.98466	42.7
102.05541	100.0
104.07099	29.2
109.02859	1.8
109.06503	4.9
110.06004	8.9
110.07169	2.4
117.03362	2.0
120.08099	3.2
121.06514	2.0
123.04455	4.3
123.05530	6.1
124.07581	4.6
127.03843	2.9
127.08699	2.6
128.07062	5.0
129.06549	1.7
129.10208	5.5
130.04974	3.0
132.10202	34.5
134.05992	2.1
135.04384	2.8
136.06161	6.0
137.06013	2.3
138.05482	2.9
138.09143	8.2
142.08604	2.3
143.11772	4.0
144.06509	4.0
146.03751	1.7
152.07069	11.3
153.05484	8.1
155.08153	32.6
156.07693	1.7
156.10257	4.0
162.07645	4.3
164.07028	1.9
170.08148	15.9
173.09224	75.3
176.98848	2.8
177.05450	4.6
178.04997	11.9
179.05325	10.3
183.07658	6.6
183.11284	19.0
187.10799	8.6
192.06651	2.4
193.06770	2.6
197.12836	7.2
199.18073	3.9
201.08704	56.1
201.12296	19.2
203.13931	3.0
211.10774	5.1
215.10239	3.6
229.11903	4.4
243.13469	9.5
302.13867	2.3
315.09958	3.1
332.09891	3.7
332.13367	4.0
332.20953	1.8
333.10931	2.5
333.18088	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	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.1
57.03426	6.7
57.07072	100.0
67.05505	26.5
69.07067	16.6
69.29531	21.9
70.06583	11.3
71.08244	3.7
71.08625	74.4
75.04459	3.7
79.02409	2.3
81.06670	2.9
81.07054	30.6
83.08609	20.5
85.10174	39.0
88.07615	8.5
89.06000	3.0
89.07967	2.3
95.08601	56.0
97.10168	13.0
97.39735	1.9
98.98448	38.3
99.11729	4.3
102.09112	3.4
106.08673	8.1
109.10153	28.5
111.11719	4.7
113.13239	2.7
122.16927	2.2
123.11717	14.2
125.13268	2.3
137.13222	6.5
175.03799	4.1
176.98898	3.9
239.23616	20.0
254.34985	2.5
257.24704	6.6
313.27353	56.5
313.33087	6.6
331.08340	3.5
331.33954	95.9
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	Unknow
Peak:m/z	Relative Intensity
51.49780	1.2
55.05496	4.2
57.07074	20.9
67.05498	7.5
69.07048	4.1
69.22700	3.1
69.23106	9.5
71.08633	16.6
73.36295	1.3
81.07054	6.7
83.08600	4.9
85.10185	8.1
91.05460	2.5
93.07011	1.2
94.90670	1.2
95.08601	12.6
97.10165	2.8
98.20807	2.4
98.98461	100.0
100.98866	2.8
109.10132	5.3
116.99477	3.3
123.11700	3.3
127.03954	1.4
137.05949	1.4
137.13289	1.5
140.01045	1.5
147.04431	1.9
151.07561	2.1
161.11728	1.3
169.02684	1.1
174.99243	4.0
175.03899	5.7
176.98851	6.1
187.03905	1.7
226.50243	1.3
239.23666	3.9
247.09666	2.5
248.89935	1.3
257.24756	2.2
313.27448	14.3
331.04672	3.0
331.08029	3.5
331.11826	1.7
331.33948	6.3
341.61823	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	331.284
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
51.80915	1.6
53.68550	1.7
55.05495	11.1
57.03412	5.2
57.07073	97.9
64.28362	1.6
67.05505	25.6
69.07059	16.2
69.68052	5.9
69.68468	6.3
70.06599	2.1
71.08630	65.2
75.04477	4.1
79.05453	2.5
81.07054	34.8
83.08614	22.6
85.10178	34.9
88.07590	1.9
95.08604	54.8
97.10172	11.2
98.98459	100.0
99.11729	2.1
103.89639	1.7
109.10159	25.0
111.11723	2.8
116.99484	4.8
123.11691	9.0
125.13210	2.1
129.36971	1.9
133.12599	1.8
137.13245	5.8
151.14896	1.7
158.49950	1.8
175.03914	4.5
176.98894	8.5
221.22574	2.5
239.23715	17.8
247.09717	2.7
252.99658	2.2
257.24722	4.6
291.22443	2.0
313.27341	57.6
314.27533	2.1
331.04459	1.9
331.08011	1.8
331.34052	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	331.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34561	2.3
56.05031	2.4
70.06579	9.5
70.62653	6.2
72.08140	11.5
72.70246	2.3
84.04477	4.3
84.08144	18.2
85.02872	2.0
86.09702	24.2
91.05464	9.5
98.98466	19.1
104.75938	2.1
108.08165	4.1
116.07069	2.2
119.04917	5.7
122.09679	13.2
123.10008	16.8
129.10234	12.6
130.08607	3.3
136.07573	28.1
137.05962	55.3
143.11769	2.4
147.07631	3.1
147.11259	5.8
148.97496	2.4
150.09116	8.0
151.09525	10.8
152.07018	12.7
153.05470	6.1
157.13377	5.1
164.07063	100.0
165.07571	2.7
168.10196	88.6
169.10536	83.5
178.04947	10.7
180.10242	5.7
192.06531	2.8
196.87775	31.4
204.88858	4.0
208.76294	2.3
244.88206	4.2
331.07990	4.6
331.12543	4.1
331.16092	4.8
331.23685	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	331.165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26107	1.1
63.51211	1.3
69.03391	1.2
69.69403	4.8
69.69830	4.7
70.06585	5.4
72.08141	3.3
77.44070	1.1
82.06490	1.3
84.04488	1.6
84.08137	34.5
86.09725	6.0
88.04001	1.7
91.05488	6.4
98.20851	2.3
98.98455	7.4
106.98808	1.2
108.08104	10.3
118.92434	1.2
119.04943	3.6
124.07536	1.8
129.09348	2.1
129.10236	20.6
130.04984	3.5
130.08652	1.2
134.06039	2.8
136.07581	16.4
137.05968	52.7
147.07652	2.0
147.11345	2.9
150.05467	4.7
150.06615	1.3
151.05800	5.9
152.07059	14.8
153.05469	5.0
157.13290	1.3
164.07057	100.0
165.07436	1.5
168.06561	2.5
168.10202	34.7
169.06897	2.3
169.10529	4.3
170.08153	7.1
171.14888	1.3
218.11546	1.2
257.58575	1.4
314.12433	3.2
331.16190	2.0
331.23505	6.4
332.13257	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	331.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01861	6.8
55.05509	26.8
56.55816	1.8
57.03443	9.5
57.03664	1.9
59.04994	1.7
61.02935	2.7
67.05508	13.9
68.99782	4.9
69.03428	36.0
69.07075	10.5
69.28707	15.6
70.06578	5.7
71.04991	20.8
71.41652	1.4
72.08138	2.2
73.02918	2.5
75.57648	1.3
79.05492	11.5
81.03413	26.7
81.07047	14.2
82.04230	1.7
82.55618	1.4
83.04976	14.8
83.08625	16.3
84.04485	3.1
84.08146	4.8
85.02903	20.1
85.06547	2.2
86.09682	5.4
87.00825	10.0
91.05473	14.4
93.07031	15.1
93.08875	1.4
95.04984	9.2
95.08607	19.5
96.47345	1.5
97.02885	16.4
97.06535	4.4
98.98466	100.0
99.04450	5.6
99.08106	4.7
100.98891	2.4
103.05444	2.1
105.01885	1.9
105.07023	9.8
107.04959	4.4
107.08594	7.9
109.02888	9.5
109.06510	6.5
109.10159	3.6
111.04414	7.2
111.08083	23.7
113.09628	14.2
115.03915	6.6
115.05464	1.8
116.99483	2.7
117.03316	2.2
117.06985	5.0
118.03737	2.0
119.04903	3.2
119.08573	5.4
120.08086	5.1
121.06502	8.1
121.10145	3.6
122.06848	2.3
123.04424	3.2
123.08067	14.5
125.02393	1.9
125.07054	1.5
125.09601	4.7
127.03923	18.6
127.07500	2.3
128.06319	1.8
129.01872	1.8
129.06976	2.3
129.10222	3.2
131.08553	3.1
133.06453	1.7
133.10078	1.8
135.04462	2.3
135.08060	11.4
137.05980	12.1
137.09593	2.8
139.07541	16.3
140.01068	2.0
141.09109	18.2
145.02847	5.8
145.10115	3.3
146.03175	3.8
147.04430	1.8
147.08032	3.7
149.06015	3.0
149.09602	3.8
151.07549	19.9
151.11124	2.2
153.09090	5.0
155.10612	2.3
161.09634	2.7
163.07515	4.0
163.11111	3.1
164.07069	2.6
165.09056	2.3
167.08574	2.2
167.10635	3.3
174.99208	3.3
175.03951	4.5
176.98920	6.4
177.05501	9.8
178.05830	10.2
179.10719	3.4
181.06416	2.2
181.12180	2.3
189.09142	4.3
191.10678	6.7
195.07979	3.4
201.03917	2.3
207.10176	2.3
209.11734	22.1
210.06760	3.2
213.77881	1.6
227.10564	3.4
227.12630	2.8
231.05096	3.3
238.06226	2.7
247.09792	2.7
271.09634	6.4
285.07550	1.7
285.48990	2.1
287.12708	2.2
295.11768	14.9
299.09137	3.0
313.12311	2.5
316.09100	3.0
331.08151	3.5
331.11807	16.1
331.15631	2.2
347.04620	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	331.1288
Annotation	Miraxanthin-III
Peak:m/z	Relative Intensity
53.03947	2.0
53.23613	0.7
55.01867	1.5
55.05504	2.2
56.05024	2.3
58.06599	0.6
60.04518	2.4
61.01157	1.2
61.20487	0.7
67.05499	2.0
68.05830	0.7
69.03411	1.3
69.07066	2.9
69.97524	0.6
70.02926	0.8
70.06593	12.1
71.05000	0.7
71.08657	0.8
72.08159	9.4
74.02332	0.6
74.06070	2.7
77.03905	0.9
79.05492	2.5
80.05004	3.6
81.03428	1.1
81.07047	2.3
82.06580	0.9
83.04986	0.6
83.06101	1.8
84.04510	8.4
84.08142	18.1
85.02908	1.7
85.06519	1.2
86.00600	0.7
86.09705	18.7
87.10033	1.2
88.03981	1.5
91.05476	12.3
92.05817	0.7
93.07039	12.7
94.06570	3.6
95.04963	3.9
95.06057	0.8
95.08590	0.8
95.24253	0.7
96.08134	1.7
98.20643	1.2
98.98464	100.0
100.98890	2.4
103.05477	11.0
104.04981	3.2
105.03408	0.9
105.04543	0.7
106.06543	4.3
107.04954	3.2
107.06094	0.8
108.04447	0.8
108.08135	1.1
110.06052	1.1
110.07143	2.4
111.04434	0.8
112.08696	1.3
116.07090	2.0
116.99486	4.8
117.05607	0.7
119.04938	2.2
119.06003	0.9
120.08105	3.9
121.06501	74.8
122.06018	1.7
122.06853	1.7
123.04449	3.5
123.09198	1.0
124.03933	2.8
126.05543	0.9
127.03889	1.5
129.10217	10.0
130.04964	2.0
130.08627	1.8
132.04460	3.1
133.06477	0.8
133.07593	1.1
134.06033	1.1
135.04405	1.6
135.09142	1.2
136.06226	4.4
136.07552	2.9
137.05960	3.0
137.07108	1.7
138.05447	1.0
138.06398	0.9
139.03860	1.8
140.01143	1.3
143.11823	1.1
144.06534	1.6
147.04399	3.2
147.11267	1.0
149.05905	0.8
150.05511	5.9
151.07527	1.6
152.07045	1.7
153.05487	0.9
161.09244	1.2
161.12914	0.8
162.05527	1.5
163.03929	1.8
164.07103	3.2
165.06664	2.6
166.05035	2.1
167.08203	2.6
168.10060	0.8
174.99194	3.8
175.03911	2.5
176.98958	9.1
177.05455	1.3
178.04883	0.9
180.06563	3.9
184.09610	0.9
187.04001	0.8
187.14397	1.4
194.04491	1.2
211.07185	5.1
224.09355	0.8
229.08632	1.8
239.11781	2.3
241.08679	0.7
243.14925	1.1
247.09648	1.2
253.09258	0.9
254.10524	0.8
271.09982	0.9
285.12387	3.5
287.13910	5.8
296.03568	0.7
297.93869	0.7
313.11929	1.0
314.10428	0.9
322.17853	0.8
331.12891	76.9
332.10983	1.1
332.13730	1.4
336.32291	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	331.1174
Annotation	69616-74-6
Peak:m/z	Relative Intensity
51.02374	0.6
53.03942	1.7
55.01870	1.2
62.71574	0.3
65.12925	0.3
66.43225	0.3
67.97926	0.3
68.99822	0.4
69.77319	0.4
69.77724	1.6
77.03938	0.7
79.05494	12.0
81.03383	0.4
91.05487	0.5
95.04964	3.5
98.98478	4.2
100.01413	0.3
105.04533	0.7
105.07047	0.8
107.04953	100.0
108.05283	2.2
111.04456	0.7
115.05457	0.3
120.68417	0.3
131.04955	0.5
133.06465	1.6
136.01558	1.5
137.05934	0.4
139.03897	0.6
140.11211	0.4
147.04390	0.3
150.35225	0.3
153.01797	0.5
154.02586	0.9
155.03412	0.5
161.05978	1.2
162.03093	0.6
163.03885	0.6
164.04683	2.7
165.05438	0.8
165.06825	0.4
167.03368	0.8
171.06485	1.7
175.03896	0.5
176.04675	5.4
181.04950	1.1
182.02074	1.8
182.05727	1.1
183.06433	0.5
190.02628	1.8
192.04161	3.2
193.04955	1.6
195.02843	0.7
195.08151	0.4
197.04428	4.5
197.06158	0.5
197.08063	1.4
200.03116	1.7
204.04160	3.4
207.02914	0.6
207.06418	0.6
208.03745	1.5
209.04446	3.4
210.05228	22.2
211.05602	0.7
221.04292	0.4
222.05225	20.6
223.05956	5.2
224.06686	0.9
225.07570	42.5
226.07896	1.1
227.06973	0.4
237.07568	46.5
238.07930	1.1
239.07054	2.9
249.05539	0.3
252.07825	3.3
253.08424	0.7
265.05145	0.3
269.08066	0.6
280.07169	0.7
281.08087	0.7
283.05978	0.7
297.07733	0.8
298.08316	2.6
313.10687	26.9
314.11148	1.3
331.11743	51.4
332.12115	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	331.1173
Annotation	2'-Hydroxymatteucinol
Peak:m/z	Relative Intensity
53.03931	2.1
55.01887	1.1
55.05487	0.6
67.05489	1.1
70.10825	1.1
70.11242	1.5
77.03918	0.6
79.05492	13.4
81.07070	1.4
84.08122	1.1
91.05482	5.1
95.04958	4.0
95.08571	0.6
97.03838	0.5
98.98464	47.2
100.98883	0.9
103.05505	1.2
105.04528	0.7
105.07034	3.9
107.04951	100.0
108.05299	1.6
109.06518	1.5
111.04377	0.6
116.99503	1.3
119.04922	3.0
119.08553	0.6
120.08076	0.6
121.02865	1.7
121.06499	8.9
122.06841	1.4
123.04463	0.6
123.08041	0.6
131.04924	23.4
133.06503	5.7
133.10077	0.5
135.04413	19.2
135.05441	1.2
135.08041	1.5
137.05978	4.0
139.07527	2.7
140.01021	0.9
145.06514	0.9
146.03625	0.8
147.04430	0.9
148.05168	1.1
149.02310	0.6
149.05969	1.2
150.03079	0.5
151.07545	12.2
153.05481	1.0
155.07054	1.9
159.04399	1.0
161.05986	2.1
162.03151	0.6
163.03905	3.8
163.07532	0.9
164.04692	3.9
165.05524	2.5
165.06847	0.5
165.07292	0.5
167.07022	1.9
174.99200	1.5
175.03911	2.6
175.07614	0.6
176.04683	1.8
176.98930	3.2
177.05450	0.6
179.07027	45.3
180.04320	0.7
180.07414	1.4
181.04955	10.2
181.06511	0.7
189.05435	1.1
191.07036	8.7
192.04176	10.9
193.04953	3.2
193.06454	0.7
194.05452	0.5
195.06534	5.9
201.05623	0.5
207.06528	44.9
208.06876	1.2
209.04456	1.4
217.05046	0.7
219.06520	9.1
223.05997	1.6
224.06799	1.9
229.08440	0.5
235.07594	1.0
237.07532	4.2
241.08578	0.6
243.10135	0.8
247.09698	1.6
249.05444	0.7
251.07097	1.0
252.07796	1.2
252.99748	0.6
254.99294	0.5
264.07797	1.4
265.05124	1.1
267.10138	8.9
280.07382	1.9
285.11215	9.2
295.09650	32.5
296.10135	1.6
313.10675	33.8
314.11038	1.5
331.11786	9.4
331.15747	0.8
331.22498	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	331.1171
Annotation	69616-74-6
Peak:m/z	Relative Intensity
53.03939	1.6
55.01865	1.5
67.05495	0.6
69.44530	1.7
69.44956	1.7
70.06587	0.5
77.03921	0.4
79.05489	11.4
81.07035	0.8
84.08156	0.5
85.06540	0.6
86.09706	0.7
91.05449	1.0
95.04959	4.2
95.08591	0.6
98.20826	0.8
98.98462	29.0
100.98907	0.5
105.04494	1.3
105.07014	2.0
107.04951	100.0
107.08591	0.8
108.05305	1.4
111.04417	0.5
116.99536	1.1
119.08508	0.5
120.08015	0.4
121.06496	0.7
122.06810	0.4
123.08070	0.5
127.03903	0.6
131.04915	0.7
133.06488	1.5
136.01546	0.6
137.05974	1.3
139.03929	0.6
141.69771	0.4
145.10019	0.5
149.02322	0.6
153.05495	0.6
153.07030	0.5
154.02589	1.1
155.03374	0.4
157.06560	0.5
161.06024	1.5
162.03104	1.2
163.03899	1.0
164.04694	2.8
165.05501	0.6
171.06523	2.1
174.99295	0.7
175.03882	1.7
176.04674	5.0
176.98860	2.3
177.05396	0.4
181.04950	0.9
181.06427	0.6
182.02118	1.3
182.05760	1.3
183.06488	0.5
190.02556	2.0
192.04214	2.9
193.04997	1.4
195.02953	0.9
197.04468	3.8
197.08087	1.3
200.03160	2.4
204.04143	4.4
207.03047	0.5
207.06555	0.6
208.03647	1.2
209.04439	4.0
210.05225	20.5
211.07506	0.6
222.05215	18.0
223.05984	5.8
224.06735	0.5
225.07570	40.2
226.07976	1.3
236.33099	0.4
237.07561	46.9
238.08009	1.2
239.06944	3.4
252.07784	4.3
255.06454	0.5
269.08163	0.5
270.05200	1.1
280.07346	0.6
298.08307	2.1
313.10693	26.3
314.11017	0.8
331.08560	1.8
331.11737	48.7
332.12137	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	331.1173
Annotation	69616-74-6
Peak:m/z	Relative Intensity
53.03941	2.2
55.01867	1.7
55.05505	2.4
62.39066	0.6
67.05522	3.7
69.03430	0.8
69.07062	2.2
70.06599	1.4
71.55704	0.7
79.01294	0.7
79.05489	13.7
81.07056	5.4
83.04972	0.9
83.08601	1.5
84.08142	1.2
85.06545	1.4
91.05477	4.7
93.07043	3.5
94.06541	0.6
95.04478	0.6
95.04976	4.8
95.08592	6.1
97.10161	1.0
98.98462	78.6
100.98873	1.3
105.04520	1.0
105.07028	6.2
107.04949	100.0
107.08604	2.7
108.05275	2.4
109.10132	3.0
111.04431	1.3
116.99475	3.5
117.06998	1.1
119.04935	1.7
119.08575	6.7
121.06498	1.8
121.10126	2.0
122.06818	0.9
123.04409	0.9
123.11683	1.4
126.03831	0.7
131.04921	1.0
131.08553	2.0
133.02805	0.8
133.06477	1.7
133.10121	5.0
135.11665	0.8
137.05949	2.8
138.09131	0.7
140.01094	0.9
141.07074	0.7
143.08521	0.8
145.10136	2.5
147.04366	1.4
147.11688	2.0
149.13205	0.7
151.03903	0.7
151.07533	1.4
153.06990	0.8
154.02574	1.1
157.10243	0.8
159.11656	1.4
161.05954	2.1
161.13194	1.9
162.03055	0.9
163.03900	1.2
163.11087	0.7
164.04655	2.8
164.07022	1.4
165.05507	1.4
165.07053	1.0
166.71706	0.6
167.06978	1.0
169.09901	0.7
171.06537	1.6
173.13274	0.9
174.99210	2.9
175.03909	3.2
175.14758	1.2
176.04654	5.6
176.98946	6.7
177.05499	1.0
179.07117	1.2
181.04974	2.0
181.06485	1.4
182.02106	1.8
182.05690	0.8
183.08029	1.4
183.11691	0.6
185.05988	1.2
187.03969	1.1
190.02530	1.3
192.04152	2.9
193.04935	1.9
195.02769	0.8
197.04448	4.7
197.08107	1.8
198.06827	0.7
200.03188	1.3
202.95659	0.7
204.04219	3.4
207.06467	4.1
208.03665	0.9
209.04431	3.3
210.05209	21.2
211.07553	0.7
222.03175	1.3
222.05220	17.3
223.05974	5.3
225.07556	40.8
226.07913	1.5
227.91440	0.8
237.07564	44.4
238.07965	0.8
239.07014	2.9
243.10077	0.9
247.09650	2.0
252.07756	2.6
253.08467	0.9
271.20578	0.9
280.07144	0.9
283.06073	0.8
297.07251	0.7
298.08328	2.3
313.10672	28.6
313.14374	1.5
313.25012	0.8
314.11002	1.5
316.05673	0.8
316.08954	0.9
331.08759	2.1
331.11734	56.4
331.26260	11.1
332.12329	3.1
335.18420	0.7
338.70825	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	331.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32010	0.9
55.05503	1.8
56.05030	2.0
57.07065	0.9
60.04520	2.1
67.05506	1.2
68.98003	1.0
69.07059	1.6
70.06593	8.5
70.09982	2.2
70.10378	1.8
71.06927	0.9
72.08154	20.6
73.10368	0.9
74.06075	1.3
77.68113	0.9
81.07067	1.1
82.06528	0.8
84.04500	14.7
84.08138	29.9
86.09700	34.4
88.03989	2.3
91.05473	3.4
94.06576	1.6
95.04964	0.8
96.63419	0.7
98.06027	1.6
98.98461	100.0
100.98852	2.6
101.07133	2.7
101.10760	2.3
102.05519	1.2
106.06523	1.7
109.02859	1.1
110.07118	1.4
112.08741	1.7
112.17229	1.0
115.08681	2.9
116.07097	2.3
116.99511	3.7
119.04935	2.6
120.04440	3.7
121.06509	1.0
122.06063	1.3
122.09663	1.1
123.10007	1.4
129.10246	25.2
130.04994	17.8
130.08675	2.3
132.04448	12.2
134.06032	2.4
136.02156	34.2
136.06190	1.2
136.07567	7.2
137.05954	17.2
140.01003	1.9
143.08150	2.5
143.11786	4.1
147.02650	1.0
147.07642	26.1
147.11252	1.6
148.03952	5.6
149.00562	2.6
150.05521	1.4
150.09105	1.3
151.02110	1.0
151.07622	1.1
151.09479	1.6
152.07016	1.8
157.13377	10.0
161.09253	3.1
162.03760	2.7
162.05490	7.2
163.06276	28.6
164.01649	44.6
164.07062	72.1
165.02084	1.0
166.04988	0.9
166.08713	1.0
168.10191	17.0
169.10544	11.1
171.11325	2.6
174.99228	3.3
175.02136	1.3
175.03944	2.9
175.11899	1.0
176.98952	7.3
178.04929	1.5
178.08521	0.9
180.10179	1.7
185.12877	4.0
189.12381	2.6
190.03299	1.7
190.89381	0.9
191.01450	1.1
196.04268	28.5
196.06053	1.7
197.04640	1.0
197.12834	1.2
200.13934	1.7
205.03127	4.4
209.02711	4.6
209.06819	41.4
210.02194	40.8
218.14943	1.7
222.05823	5.0
224.04677	1.0
242.04814	36.6
242.18686	1.1
247.09645	0.8
251.03729	7.2
252.99857	1.0
260.16092	1.6
268.06323	8.1
270.07776	1.0
285.09079	5.6
286.07361	1.4
313.11142	1.2
314.06897	21.0
314.10117	1.1
331.05789	1.7
331.09555	20.7
331.16104	1.4
331.19946	1.2
331.23636	5.6
332.09464	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	330.3365
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.06802	0.4
57.07073	6.3
58.06582	0.7
62.06083	0.5
64.81200	0.2
68.05032	0.2
69.40489	0.8
69.40913	0.7
70.06586	11.0
70.15923	0.2
71.08630	3.4
80.40485	0.2
85.10186	1.0
86.06044	0.2
88.07624	15.2
98.98465	1.3
102.09174	3.9
106.07944	0.4
106.08664	8.4
151.25598	0.2
155.58038	0.2
268.29846	0.5
286.31000	0.7
312.32544	6.2
313.33005	0.3
330.33630	100.0
331.34009	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11380	0.7
53.03948	0.8
54.04681	0.8
54.66079	0.8
55.01853	1.5
55.05508	16.1
57.03444	2.0
57.07069	2.9
58.17356	0.9
60.93645	0.8
62.42382	0.7
65.62791	0.7
66.02246	0.7
67.05508	6.2
69.03423	2.3
69.07090	4.3
69.43054	3.8
69.43482	3.2
70.06587	1.5
70.18806	0.8
71.08624	2.6
77.72768	0.8
79.05495	5.2
79.96486	0.7
81.07050	6.8
83.04978	0.9
83.08623	10.4
85.06542	1.6
87.04449	3.3
88.07606	1.8
91.05455	2.3
93.07034	3.2
95.08608	2.7
97.10165	22.3
98.98463	100.0
99.08070	2.9
99.08668	0.9
100.98882	1.1
101.09668	1.1
102.08266	0.7
103.98459	0.8
105.07008	2.2
105.64423	0.8
107.04954	7.1
107.08601	5.3
109.10170	2.3
113.02345	1.4
116.99464	4.3
119.08599	1.3
121.02885	0.8
121.06442	1.0
121.10099	1.4
125.09624	16.9
133.10132	1.4
135.08057	1.7
135.11681	0.9
140.01036	1.2
147.11713	1.0
149.13231	1.0
151.11182	1.4
161.13217	1.6
163.11133	1.3
164.07011	0.8
171.10217	1.6
174.99196	5.1
175.03889	1.6
175.99493	1.3
176.98892	7.4
179.14328	3.0
189.11217	27.7
203.15375	4.9
203.65819	1.3
210.05299	1.8
222.05220	1.2
225.07570	3.0
229.08397	1.1
237.07564	3.2
259.20624	1.0
260.16968	1.2
277.21597	13.9
288.08887	0.8
295.22644	1.8
313.10742	1.5
315.10922	0.9
330.29709	4.5
330.33664	1.7
331.11963	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.2
55.05506	6.6
56.05016	0.9
57.03423	1.4
57.07066	1.7
60.04526	5.3
67.05503	14.9
69.07063	5.2
69.87732	2.9
69.88152	2.5
70.06564	2.7
71.04982	1.1
71.08632	2.1
71.77481	0.9
79.05480	5.7
81.06664	1.0
81.07059	12.1
83.04953	2.5
83.08608	3.6
86.09694	1.1
87.04469	11.6
88.07626	2.4
91.05452	3.8
93.07039	7.4
95.04967	2.0
95.08624	5.2
97.10177	1.9
98.98464	100.0
100.29240	0.9
100.98886	1.5
102.09176	1.3
105.07011	2.8
107.04939	4.7
107.08591	4.1
109.10143	6.1
111.08028	1.3
116.99500	3.9
119.08553	2.8
121.10108	2.1
123.11684	2.5
130.78354	1.2
133.10091	1.3
135.11662	1.2
137.05978	1.3
137.09575	1.3
139.11214	2.0
140.01065	1.4
147.11691	1.3
149.13286	1.1
155.10681	1.9
156.17459	1.4
157.01662	1.1
157.10101	1.0
161.13165	1.5
165.12607	0.9
173.11787	6.7
174.99197	4.3
175.03951	2.5
175.99687	1.4
176.98889	6.9
211.13274	1.9
222.05255	1.0
223.57533	1.1
237.07680	0.9
241.19661	1.0
243.10069	1.1
247.09709	1.7
268.29944	1.9
270.27911	3.2
277.21704	5.7
295.22726	2.2
330.29935	15.5
330.33624	6.6
331.11786	1.3
331.15475	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
56.96556	1.3
57.03439	1.9
57.07074	2.5
67.05501	8.5
69.07071	4.2
69.77023	4.6
70.06577	2.4
71.08641	1.0
79.05482	3.9
81.07046	8.2
83.08602	1.5
87.04462	9.6
88.07613	4.2
91.05482	3.2
93.07036	3.8
95.04978	2.1
95.08605	3.9
97.10168	1.2
98.09638	0.9
98.98463	100.0
99.08070	1.1
100.98948	1.6
101.06004	6.6
102.09186	1.3
105.07025	2.8
107.04957	9.1
107.08575	3.1
109.10131	4.2
109.22485	1.0
116.99516	3.8
119.08622	2.6
121.06501	3.5
121.10136	1.1
123.11695	1.2
131.08583	1.2
135.08109	1.3
137.06017	1.9
140.01071	1.5
147.11609	1.5
148.09731	1.3
151.07574	1.3
152.07817	0.9
153.09203	1.0
155.10677	1.6
167.07100	1.2
173.11734	3.6
174.99199	4.5
175.03883	4.1
176.98923	5.2
177.05473	2.7
181.04936	7.3
210.05241	1.1
222.05292	1.0
225.07559	2.8
231.53401	0.9
237.07570	2.7
247.09395	0.9
252.99608	1.1
256.26352	2.4
270.27859	2.2
277.21664	2.5
288.97302	1.0
295.22653	1.4
330.26532	0.7
330.30060	14.6
330.33688	2.2
331.04077	0.9
331.08264	1.3
331.11765	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	330.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05504	4.8
56.05035	2.4
57.03433	0.4
57.05811	1.1
58.06603	0.4
58.99582	0.4
60.04519	0.9
61.01145	0.7
62.81051	0.3
67.05508	0.9
68.47955	0.4
69.07062	6.9
70.06589	11.0
70.42924	1.3
70.43270	0.4
71.05006	0.5
71.06921	0.4
72.08150	57.1
73.08492	1.1
74.06083	1.9
76.02225	0.7
79.05482	0.5
81.07059	1.5
82.02936	0.4
83.06096	0.6
84.04500	2.8
84.08138	14.0
85.06503	0.4
85.08475	0.7
86.09700	100.0
87.02699	0.6
87.10043	1.3
88.03973	0.9
91.05463	3.8
92.05808	0.8
93.07050	0.4
94.06564	0.4
95.04958	0.6
98.09662	0.5
98.98460	29.1
100.07602	0.7
100.98900	0.6
102.05561	0.8
103.05479	0.9
104.05289	0.9
107.04881	0.5
107.36208	0.4
110.07188	1.9
112.08701	1.1
113.07159	0.4
115.08672	0.9
116.07095	0.7
116.99508	0.6
117.03343	0.4
118.08642	1.4
119.04916	2.5
120.05302	0.8
120.08070	3.7
121.08450	0.6
123.04440	1.0
129.06549	1.7
129.10236	11.1
130.04976	0.8
130.08629	0.6
130.10590	0.7
131.04832	0.4
133.03056	0.4
133.06470	0.4
135.04361	0.6
136.07581	7.2
137.06032	2.4
137.07915	5.0
147.04372	1.5
149.05960	0.7
150.05740	0.7
151.03902	0.9
151.07527	2.9
155.11761	0.5
157.06764	0.7
157.13332	0.6
163.03934	0.5
164.07074	0.9
166.08551	0.6
167.07031	0.7
168.10211	1.2
171.14928	3.5
173.70802	0.4
174.09457	1.0
174.99207	1.2
176.98918	1.9
177.05420	3.0
178.04846	0.4
185.16484	41.7
186.16803	0.6
188.07349	0.4
189.05513	1.8
199.14426	0.8
199.17949	0.5
208.05139	1.5
211.07443	0.7
211.11821	0.5
213.15962	22.7
217.15456	7.4
221.06232	0.5
223.04221	0.6
223.07018	0.4
225.09058	0.5
230.14999	1.3
232.16029	0.4
234.61008	0.4
239.07013	0.7
240.04036	0.5
243.16922	0.4
252.99930	0.5
258.07986	0.6
260.19553	1.0
269.08069	1.2
271.09665	2.8
313.10596	3.4
314.10565	0.6
315.08667	3.3
330.10245	2.7
330.18958	0.4
330.23828	0.5
331.13257	1.7
344.20209	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	330.2385
Annotation	Val Val Ile
Peak:m/z	Relative Intensity
55.05505	7.0
56.05031	0.7
57.05813	0.9
60.04529	0.3
69.07053	1.7
69.19805	0.3
70.02918	0.4
70.06591	3.2
70.42883	0.3
70.75371	0.9
72.08150	100.0
73.08472	0.4
74.06071	0.4
81.07069	0.4
84.04498	1.4
84.08147	2.0
86.06063	1.2
86.09700	13.2
87.10008	0.3
88.03974	2.5
88.09365	0.3
91.05460	0.8
98.09669	0.5
98.98460	10.9
100.07630	0.5
107.04987	0.6
109.06538	0.8
110.07173	0.6
115.08639	0.4
116.10717	0.5
116.99470	0.6
119.04979	0.7
120.08126	1.2
123.56110	0.3
126.05473	0.4
129.10233	1.9
132.10225	1.3
136.07571	0.7
137.05981	1.0
140.07057	0.6
143.11824	0.6
145.02866	0.7
147.04402	1.9
163.03870	0.5
163.06291	0.3
168.10349	0.3
171.14920	38.5
172.03954	0.4
172.15428	0.5
174.99251	0.5
176.98996	1.1
177.05449	1.6
185.16472	5.0
190.04980	0.5
198.11261	2.6
199.14406	18.8
201.12267	0.5
213.15959	2.9
216.12299	3.2
217.15503	0.5
225.05841	0.4
231.17004	4.6
231.19176	0.3
312.18130	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	330.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.05029	1.1
60.04520	3.3
65.03954	0.8
67.05492	1.3
69.07058	1.7
70.06580	3.5
71.51836	0.5
72.04525	0.8
72.08153	1.2
79.05485	2.0
81.07063	1.8
83.04962	0.5
84.04498	1.3
84.08154	2.9
86.09701	100.0
87.10039	1.1
89.03915	1.5
91.05482	4.1
93.07045	1.9
95.04974	0.5
95.08601	0.8
98.98461	50.4
99.12717	0.4
100.98908	0.8
103.05465	1.2
104.42029	0.5
105.07012	1.3
107.04946	1.4
107.08571	0.6
109.10167	0.6
110.07186	0.5
116.98736	0.5
116.99514	2.0
117.03375	4.7
119.04921	1.2
119.08578	0.6
120.08083	1.0
121.05676	0.8
121.06502	9.8
122.06870	0.6
123.04431	0.7
129.10237	1.3
131.04962	0.6
133.02881	0.7
133.06503	1.2
135.04416	1.7
136.07646	0.5
137.05981	3.5
140.01064	0.8
145.02838	10.8
146.11748	33.9
147.04459	0.6
149.05969	2.1
151.07510	1.1
152.04704	1.8
157.13358	38.4
163.03896	3.6
164.07051	4.4
167.03404	0.4
167.07030	1.4
168.10161	1.0
173.13066	0.5
174.99184	1.7
175.03928	1.3
175.84267	0.5
176.98901	2.2
177.05469	19.8
178.05786	0.8
181.04971	0.8
185.11189	0.8
185.12842	14.0
205.06969	0.7
208.05162	4.6
209.05617	0.8
210.06898	0.6
217.15521	1.1
225.05367	0.7
236.04697	0.6
238.06306	0.5
240.04190	0.7
244.13443	1.0
247.21770	0.6
254.05705	1.0
255.06654	0.5
257.04657	0.7
259.20184	2.1
269.08087	3.6
271.09695	1.6
273.65903	0.5
282.05286	0.7
299.09015	0.7
315.08612	8.1
330.10614	8.1
330.20514	1.1
330.26501	2.3
331.08179	1.5
331.11777	3.4
331.17334	0.7
345.18546	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	330.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
61.02907	0.4
69.03407	1.2
69.40052	0.5
69.40459	1.9
70.06596	0.7
72.08145	0.5
81.03403	0.4
85.02901	2.1
86.09694	0.5
91.05482	0.4
97.02887	1.0
98.98454	0.6
119.04874	0.3
122.09660	21.0
127.03914	0.3
137.05989	1.6
150.05496	1.0
150.09132	11.4
151.07513	0.4
164.07066	0.7
168.10190	100.0
169.10570	1.5
178.99208	0.4
184.69363	0.2
196.87869	0.7
247.56044	0.3
330.11569	0.4
330.15439	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	330.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.2
61.02914	0.6
62.04948	0.2
69.03424	1.2
71.35641	0.2
71.52862	0.3
81.03407	0.6
85.02897	2.2
97.02905	0.8
98.98455	1.0
99.99660	0.2
102.16491	0.3
109.02861	0.3
122.09666	21.6
123.09977	0.4
127.03905	0.4
150.09142	11.9
151.09764	0.2
168.10197	100.0
169.10544	1.8
236.25636	0.3
330.15469	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	330.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56461	0.8
53.03944	1.0
54.30431	0.8
55.01872	4.2
55.05502	3.1
56.05030	4.1
58.99593	1.1
60.04511	3.2
60.05612	1.0
65.03949	1.3
67.05501	1.4
68.00513	0.8
69.03416	1.3
69.07062	2.6
70.06591	34.3
71.11700	1.5
71.12049	1.3
72.08147	21.9
74.06076	6.7
79.05491	1.3
81.07018	1.1
82.06554	1.3
83.06113	1.8
84.04506	9.6
84.08136	21.4
85.02912	1.8
86.00632	1.0
86.09698	27.5
87.10040	1.2
88.03975	2.8
91.05475	25.8
93.07018	0.9
95.04959	6.4
98.06088	1.1
98.09695	2.5
98.98463	100.0
99.98912	1.2
101.07118	2.3
101.10750	1.0
102.05540	2.6
105.07024	3.5
106.05052	1.8
107.04978	4.3
108.91995	0.9
109.06561	1.1
110.07160	3.9
111.04446	1.2
112.07549	1.3
112.08678	1.1
115.05447	9.5
116.07082	11.6
116.99482	4.5
117.06982	1.5
119.04935	20.4
120.08103	2.7
121.06484	1.4
122.03666	2.5
122.09652	4.1
123.04440	7.0
126.09168	1.1
127.03893	1.1
129.10239	11.2
130.04976	2.1
130.10611	1.3
131.04918	2.5
132.01102	1.2
133.06493	5.7
135.04396	2.0
136.05182	3.3
136.07571	4.1
137.05968	46.8
138.06396	1.1
138.09190	0.9
139.03862	1.2
140.07076	1.0
141.06870	1.0
142.12288	1.1
143.04913	11.4
145.02776	1.2
145.06470	1.9
147.04391	17.4
149.05968	3.2
150.05548	1.7
150.09122	4.0
151.02118	2.2
151.03960	6.1
151.07532	72.2
152.07040	2.7
153.05435	1.1
155.08539	1.3
161.04686	1.3
161.05980	12.6
162.05504	2.1
163.03923	3.9
164.07059	6.3
165.06996	3.7
167.07074	6.2
168.06548	1.1
168.10194	16.6
169.10220	1.0
171.04410	2.3
171.11203	1.6
172.10864	1.4
174.99236	3.4
175.03906	2.9
176.04643	9.2
176.98845	4.4
177.05447	9.7
179.01628	2.8
179.07181	1.3
179.08583	2.3
180.10152	1.0
183.08060	4.1
187.10757	1.1
187.14368	8.5
189.05461	48.1
190.04953	1.6
191.05278	2.2
193.06490	3.6
195.08929	2.6
197.09631	0.9
199.10825	2.1
201.12448	1.7
206.08121	11.9
207.08385	1.2
208.05171	1.4
210.06789	4.2
211.04247	1.4
211.07507	8.7
213.05743	1.7
215.13908	3.5
220.27863	0.9
221.05975	3.5
223.04225	3.4
225.09023	9.1
228.07755	1.4
229.15518	2.0
235.07474	1.5
238.06247	2.3
239.07027	3.8
241.04944	1.9
243.06653	1.1
243.10204	8.3
253.08617	8.0
256.07254	2.5
267.08340	1.9
269.09155	1.0
271.09622	26.4
281.08173	1.9
285.11530	1.7
300.08768	1.5
301.08908	4.7
312.08759	3.6
313.10754	79.6
314.11005	5.0
330.09482	1.3
330.13412	14.5
330.20718	2.8
330.28879	3.3
331.12753	1.2
351.00266	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	330.1334
Annotation	CHEBI:67373
Peak:m/z	Relative Intensity
53.14192	0.4
60.04514	0.9
65.08888	0.4
70.06577	1.3
71.12341	1.3
72.08131	0.6
79.05482	0.7
81.07044	0.6
86.09695	1.6
89.03919	5.3
91.05495	4.0
95.08601	1.0
98.98468	12.4
103.05447	0.9
107.04948	1.4
116.27741	0.5
116.99512	0.6
117.03378	17.6
119.04945	1.7
121.06499	2.0
124.63219	0.5
128.47847	0.5
131.04951	1.0
134.03629	1.0
135.04448	3.5
137.05986	1.6
145.02844	51.1
146.03188	1.3
147.04405	2.1
149.05984	6.5
151.07526	3.4
163.03903	14.7
164.07040	0.6
168.10242	1.2
174.99200	0.4
177.05469	100.0
178.05835	2.7
186.05431	1.0
241.12546	0.8
284.12567	0.6
311.64908	0.5
312.12378	0.8
315.08295	0.9
330.13467	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	330.1335
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
52.24675	0.2
53.03936	0.3
60.04528	1.5
63.02382	0.3
63.08104	0.2
65.03937	0.6
67.05496	0.5
70.02429	0.6
70.02847	0.7
70.06586	1.0
72.08144	0.4
79.05495	0.5
81.07050	0.5
84.04469	0.3
84.08155	0.4
86.09705	3.9
89.03910	6.1
91.05479	9.9
93.07015	0.3
95.04981	0.4
95.08631	0.3
98.98463	10.4
103.05455	0.3
106.04159	0.4
107.04941	0.5
109.06494	0.5
110.07197	0.3
116.99493	0.5
117.03375	22.8
118.03709	0.4
119.04947	4.7
119.08659	0.3
120.08051	0.3
121.06483	2.3
129.10231	0.3
134.03629	1.7
135.04414	3.7
137.05972	9.5
145.02841	51.4
146.03226	0.8
146.11754	1.0
147.04390	0.2
149.05968	6.2
149.07144	0.4
151.07541	2.6
152.04721	0.3
157.13316	0.6
163.03906	13.6
164.07077	1.1
167.07056	0.3
168.10231	0.9
174.99196	0.5
177.05463	100.0
178.05818	2.3
185.12921	0.4
186.05493	1.9
187.05898	0.3
194.08105	0.3
208.05203	1.6
217.15517	0.3
236.04652	0.5
254.05708	0.6
269.07983	1.0
271.09567	0.4
272.06323	0.3
312.25403	0.3
315.08600	3.2
316.08920	0.3
330.10458	1.3
330.14008	3.3
330.20721	0.3
330.26416	0.9
331.11624	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	330.1334
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
55.01864	0.2
55.05504	1.0
56.05029	0.7
60.04518	0.4
63.02385	0.4
65.03925	0.6
69.07092	0.5
69.76900	1.4
70.06595	4.3
71.90897	0.2
72.08152	15.7
73.08472	0.3
74.06064	0.3
79.05500	0.4
81.07063	0.4
84.04499	0.9
84.08137	2.7
86.09702	6.0
87.05598	0.2
88.03963	0.3
89.03915	6.3
89.18419	0.2
91.05477	9.9
92.05845	0.3
93.07031	0.3
93.68301	0.2
94.06560	0.2
95.04955	0.3
98.98462	13.9
100.98864	0.3
103.05478	0.6
106.04175	0.2
107.04936	0.4
109.06506	0.9
110.07152	0.5
116.05024	0.3
116.99525	0.4
117.03376	22.3
118.03698	0.5
119.04943	4.6
120.08087	0.7
121.06481	0.5
122.06003	0.4
124.05270	0.3
124.21004	0.2
129.10258	1.4
130.05002	0.2
132.10242	0.3
134.03638	1.3
134.05980	0.6
135.04410	2.2
136.07510	0.5
137.05972	9.9
138.05446	0.3
140.07047	0.6
144.04489	0.3
145.02838	54.1
146.03186	1.8
147.04390	0.8
149.05972	6.4
151.07565	0.4
152.07033	0.5
153.07031	0.2
157.09702	0.2
158.06029	0.5
159.09125	0.3
161.05905	0.4
162.03212	0.3
162.05501	0.9
163.03906	2.6
165.07022	0.3
168.10204	0.6
171.14902	4.1
172.03960	0.6
174.99181	0.6
175.03870	0.3
177.05463	100.0
178.05836	3.1
181.06503	0.4
185.16438	0.7
186.05492	1.5
190.04985	2.6
192.06525	0.2
193.06430	0.3
194.08038	0.3
199.14378	2.0
203.12042	0.3
208.05128	1.1
209.05873	0.3
213.09009	0.2
221.05957	0.4
223.04108	0.2
231.17073	0.6
239.06721	0.2
243.16924	0.2
253.08627	0.5
255.06725	0.2
269.08047	0.5
281.08066	0.4
312.09964	0.4
313.11105	0.4
315.08527	1.4
330.10028	0.6
330.13721	4.3
330.19589	0.2
330.29202	0.3
331.13080	0.5
331.17172	1.4
348.67596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1334
Annotation	CHEBI:67373
Peak:m/z	Relative Intensity
55.05535	0.3
56.05060	0.3
63.02413	0.3
65.03978	0.5
69.74594	0.8
69.75000	0.5
70.06582	2.1
72.08155	2.6
72.74901	0.2
73.73139	0.2
74.06113	0.5
81.07077	0.4
84.04564	0.7
84.08157	1.6
85.02955	0.3
86.09702	20.9
87.10062	0.2
89.03910	6.2
91.05476	8.3
92.05859	0.5
93.07068	0.3
95.04949	0.2
98.21492	0.4
98.98459	15.1
102.05525	0.3
103.05481	0.2
104.07147	0.8
106.04215	0.3
107.04966	0.5
109.06551	0.2
110.07226	0.3
112.08713	0.3
116.99538	0.4
117.03373	22.5
118.03749	0.6
119.04922	4.5
120.08084	1.1
121.06517	1.0
124.05218	0.3
129.10263	0.7
130.06535	0.5
132.10194	0.3
134.03622	1.5
135.04414	2.2
136.05261	0.2
136.07614	0.4
137.05972	7.7
138.06400	0.3
145.02835	50.8
146.03145	1.4
147.04402	3.0
149.05974	6.3
151.07521	0.5
152.06113	0.2
157.63940	0.2
158.06030	0.3
162.03178	0.3
163.03902	3.8
168.10207	0.6
171.11479	0.2
171.15005	0.3
173.12946	0.3
174.99248	0.6
177.05460	100.0
178.05838	2.6
180.05696	0.3
186.05449	1.1
199.14317	0.2
199.18053	6.8
201.12160	0.3
207.63992	0.2
208.03247	0.4
208.05188	8.3
209.05629	0.4
211.03793	0.3
212.04292	0.2
217.15511	1.1
225.05392	0.5
226.06133	0.5
227.17557	2.7
236.04688	1.1
240.04097	1.0
241.08449	0.4
243.06500	0.2
254.05840	2.0
255.06075	0.3
257.04333	0.7
268.03522	0.7
269.05377	0.4
269.08063	5.7
270.08127	0.3
271.05814	0.5
271.09531	0.4
272.06778	1.1
282.05008	0.7
285.12711	0.3
286.04440	0.3
287.08899	0.7
300.05933	0.6
301.06808	0.6
315.08597	14.4
316.08685	0.8
325.55731	0.2
330.10565	12.2
331.11044	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	330.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
51.84348	0.5
53.03932	1.8
53.55276	0.5
55.05517	1.1
57.73096	0.5
60.04512	1.3
66.21217	0.4
67.05505	1.1
69.07065	1.5
70.01879	2.4
70.06588	1.0
79.05495	4.4
81.07035	1.6
84.08133	1.3
85.02913	0.6
86.09695	1.3
91.05483	6.8
92.65569	0.5
93.06487	0.9
93.07040	11.7
95.04970	3.4
95.08578	1.1
98.98464	52.6
100.98896	0.7
103.05462	7.6
105.04467	1.0
105.07014	0.8
107.04950	9.1
107.08595	0.7
109.10093	0.6
116.99501	1.8
119.01851	0.6
119.04945	2.1
121.06500	100.0
122.03593	0.9
122.06848	1.3
123.04431	3.9
124.05173	0.8
133.02852	6.3
135.04398	7.9
137.05971	4.1
138.09120	1.2
140.01031	0.8
146.06010	3.0
147.04420	1.8
149.05934	5.9
152.04677	15.9
164.07059	45.3
165.05515	1.0
165.07335	0.9
166.08650	0.9
167.05664	1.2
167.07037	17.9
168.07484	0.7
174.99240	2.2
175.03909	0.6
175.99480	0.6
176.98906	3.0
177.05461	0.6
189.09123	1.8
210.05194	1.0
237.07576	0.8
252.07845	1.0
269.08133	0.6
294.24286	0.6
298.08371	0.8
313.10684	5.5
313.17917	1.1
315.08484	1.0
326.32782	0.6
329.41159	0.5
330.13577	3.8
330.20691	1.0
331.08081	0.7
331.11743	1.2
350.35623	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	330.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07145	0.3
54.58123	0.3
60.04524	0.5
65.03925	0.4
70.06582	2.5
71.50739	0.3
72.08142	1.2
79.05470	0.5
84.04507	0.7
84.08149	1.5
85.02912	0.4
86.09701	21.7
88.03976	0.3
89.03911	5.9
91.05475	6.6
93.07016	0.6
98.98456	16.7
100.98905	0.4
103.05452	0.7
104.07093	0.8
105.73662	0.3
107.04964	0.4
107.08612	0.4
109.02893	0.4
110.07159	0.5
116.99499	0.9
117.03372	17.9
119.04936	3.2
120.08087	0.9
121.06491	2.1
122.10439	0.4
129.10228	0.6
133.02878	0.4
134.03586	1.1
134.04538	0.3
134.32053	0.3
135.04402	2.8
136.07590	0.4
137.05962	5.4
145.02834	41.1
146.03160	0.4
147.04395	2.1
149.05969	6.3
152.06157	2.2
163.03893	3.6
164.07043	0.9
168.10202	1.1
170.03522	0.4
173.12857	0.5
174.99199	0.5
176.98914	0.8
177.05455	81.4
178.05782	0.9
180.05696	4.3
181.06429	0.9
186.05534	1.3
194.03561	1.9
196.05171	0.8
197.06026	0.6
198.06723	1.0
199.18037	5.5
201.12421	0.5
208.05179	56.3
209.05705	1.5
211.03931	1.8
212.04633	0.9
213.05386	0.5
217.15492	0.9
222.03094	1.3
223.04140	0.4
224.04646	1.7
225.05449	2.9
226.06233	4.2
227.06958	1.4
227.17509	2.4
229.04921	1.0
236.04665	8.8
237.05327	0.4
239.03354	0.7
239.07014	0.5
240.04138	8.3
241.04765	0.9
241.08525	2.8
243.06546	1.0
244.07164	0.7
253.04883	0.6
254.05714	13.6
255.06413	1.0
257.04416	5.6
257.08160	0.7
264.04126	1.3
267.06461	0.9
268.03668	3.9
269.08060	38.4
270.08401	1.0
271.05997	2.8
271.09619	0.5
272.06769	7.2
273.07401	0.4
278.40350	0.3
282.05200	5.4
285.03854	0.5
285.07471	0.5
286.04718	1.8
286.08356	0.9
287.09106	4.9
297.07526	0.9
299.05457	1.0
299.08972	0.4
300.06290	5.6
301.06982	3.7
315.08591	100.0
316.09015	2.3
330.10889	82.3
331.11426	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	329.1495
Annotation	phenylalanyltyrosine
Peak:m/z	Relative Intensity
55.05505	1.4
56.05027	0.6
57.05820	0.2
60.04522	0.8
60.05642	0.3
69.07066	0.7
70.02962	0.2
70.06592	4.9
71.06930	0.4
71.18120	0.4
72.08152	8.4
73.08474	0.6
74.06085	0.4
77.01578	0.2
82.04327	0.2
83.04952	0.2
83.06113	0.2
84.04498	1.2
84.08141	3.4
85.02876	0.2
85.08508	0.2
86.09706	6.3
87.05624	0.3
87.10023	0.9
88.03945	0.3
91.05480	2.0
93.07047	2.3
95.04962	0.5
95.06097	0.2
95.23370	0.2
98.98463	54.5
100.98861	0.5
102.05562	0.3
103.05462	7.1
106.06586	0.2
107.04961	0.5
109.02890	0.3
110.07185	0.9
112.08758	0.5
115.05490	0.2
115.08707	0.3
116.07104	1.2
116.99521	2.0
117.00328	0.3
117.07457	0.2
118.06547	0.4
119.04932	1.7
120.08099	100.0
121.06522	0.3
121.08443	1.8
123.04440	2.6
128.06233	0.2
129.10240	2.2
130.05038	0.3
130.08601	0.2
133.02817	0.3
134.05963	0.3
135.04405	0.3
136.07574	6.8
137.05977	0.8
140.01071	0.4
141.10234	0.2
146.06012	0.3
147.04404	0.7
149.06036	0.3
151.07495	0.4
152.07053	0.5
157.09717	0.2
158.09259	0.2
162.05513	1.5
163.03905	0.3
164.07048	0.5
165.05490	3.1
165.06842	0.2
166.08562	0.2
168.10165	0.3
169.06577	0.2
171.11272	0.3
173.12805	0.2
174.99231	4.3
175.11879	0.2
176.98938	1.9
178.05003	0.7
180.10220	0.4
182.08128	5.5
182.09529	0.2
185.16441	0.4
186.16830	0.3
187.10913	0.3
189.05484	0.2
190.05002	2.3
201.12338	0.3
203.05786	0.3
213.05544	0.3
214.16209	0.2
215.13969	0.2
216.09755	0.2
216.14157	0.2
236.06940	0.2
237.05164	0.2
238.08620	0.6
242.08125	0.4
248.07260	0.2
252.99643	0.5
253.04971	0.3
254.07925	0.3
256.09631	0.9
266.08191	1.0
272.09244	0.3
283.11136	0.2
283.14383	0.7
284.09219	0.7
294.07660	0.9
295.08398	0.3
300.05319	0.2
300.08682	3.1
311.10257	0.4
312.08554	3.7
329.11246	2.1
329.14969	2.4
330.11264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1495
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
52.93055	0.2
55.05506	0.5
56.05025	0.4
57.35814	0.2
64.32980	0.2
65.03934	0.5
67.05492	0.4
69.07060	0.3
70.06591	3.9
71.06912	0.5
71.92574	0.2
72.08154	2.4
79.05488	0.5
81.03425	0.3
81.07034	0.3
84.04506	2.2
84.08144	3.6
85.02915	0.3
85.08478	0.2
86.09701	3.3
87.10045	0.4
88.03961	0.3
91.05478	26.9
92.05814	0.5
93.07034	0.5
95.04978	0.5
97.04001	0.3
98.98463	47.3
100.98905	0.4
102.05524	0.6
103.05482	0.7
105.03378	0.4
107.04951	2.6
109.06493	0.7
110.07162	0.6
112.03894	0.2
112.08784	0.3
112.79314	0.2
115.08694	0.4
116.07115	0.3
116.99505	1.4
117.03369	0.3
118.06544	1.5
119.04938	16.5
120.05267	0.5
120.08101	10.4
121.06480	1.6
121.08429	0.3
121.10134	0.4
122.06029	0.3
123.04435	0.7
129.10263	1.7
130.08522	0.3
131.04918	0.3
132.08093	0.6
134.06044	0.3
135.04393	0.2
135.06778	0.3
136.07573	100.0
137.05986	0.6
137.07928	2.1
140.01053	0.3
143.04562	0.3
145.02876	0.7
146.03203	0.5
146.06006	2.1
147.04379	1.1
147.08022	0.3
149.05934	0.4
150.05449	0.3
150.09187	0.4
155.08203	0.5
157.09703	0.2
164.07068	0.5
165.05533	0.4
165.06932	0.2
166.08635	4.5
168.10207	0.8
174.99207	4.6
176.98935	1.7
177.05492	1.0
178.05797	1.0
179.07008	2.0
183.08553	0.2
190.04834	0.3
192.06491	0.3
196.71381	0.3
206.08072	1.5
225.05853	0.5
229.86699	0.3
234.09239	0.3
237.09677	0.2
246.03511	0.3
251.00029	0.5
252.10172	0.3
252.99722	0.4
262.08704	1.0
266.08099	0.4
270.11053	0.4
280.09662	0.5
283.14404	0.7
284.12662	0.5
296.65198	0.4
300.09067	0.2
312.08734	1.1
312.12262	0.9
315.08618	0.5
329.06894	0.3
329.11288	0.9
329.14993	4.6
330.10129	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	329.1381
Annotation	5,7-Dimethoxy-3-(4-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
53.03927	0.6
65.03936	1.0
67.05505	0.6
69.07063	0.5
70.95834	0.8
79.05483	0.8
81.03406	0.5
81.07036	0.5
91.05473	16.0
92.05798	0.4
93.07038	6.2
95.04969	1.0
95.08601	0.6
96.05766	0.6
98.98460	100.0
100.98889	0.8
103.05476	0.6
105.07030	3.3
106.04169	1.0
107.04948	1.6
107.08563	0.4
109.06508	6.1
116.99492	4.1
118.04140	1.0
119.06052	2.1
119.08649	0.4
121.06497	37.8
121.10091	0.7
122.03609	0.4
122.06859	0.6
124.05222	1.1
129.01854	0.3
135.04396	0.9
137.05983	1.0
139.07491	0.5
140.01099	1.6
144.10599	0.3
146.03610	1.7
147.08186	0.4
151.03903	1.1
152.04669	6.2
153.06865	0.3
155.03351	1.4
161.05975	12.1
163.03854	0.4
163.07591	0.4
164.27773	0.3
165.05432	0.7
167.03397	1.3
167.07016	0.4
172.31383	0.3
174.99228	7.2
175.07527	1.6
176.98944	3.5
177.05389	0.4
180.04160	7.0
181.04950	4.1
192.04161	0.7
195.06514	74.6
196.06859	2.5
198.05252	2.4
205.04930	0.8
206.05794	0.4
207.06470	3.1
215.49165	0.3
221.08066	3.1
250.99985	0.4
252.99692	1.3
254.65230	0.4
311.16312	0.4
313.07062	0.4
329.10236	3.2
329.13785	34.3
330.14078	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	329.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.6
56.05030	2.2
56.96563	0.4
59.47023	0.3
60.04510	0.6
65.79884	0.3
66.16002	0.2
67.05493	0.4
69.03428	0.3
70.06592	5.2
72.08152	3.6
74.02434	0.4
74.06055	0.5
81.03416	0.3
82.06592	0.6
83.06071	0.3
84.04504	6.4
84.08141	3.7
85.02884	0.5
86.09716	2.5
87.05612	0.3
88.03974	2.5
91.05473	1.2
93.07112	0.3
94.04126	0.3
94.06582	0.4
97.95562	0.2
98.21627	0.5
98.98462	100.0
100.98882	1.0
102.05547	0.4
105.07046	0.3
107.04956	1.5
109.02901	0.4
109.06426	0.3
110.07171	0.7
112.08751	0.3
116.07084	0.5
116.99491	3.4
119.04951	1.0
120.05733	0.6
120.08104	0.6
121.01118	0.3
121.06476	0.6
123.02672	0.5
123.04416	2.2
125.00543	0.3
127.08688	0.3
129.10231	2.0
130.05000	6.6
134.05984	0.7
135.04413	1.5
135.05330	0.3
136.07518	0.5
137.02367	0.4
137.05962	1.4
140.01077	0.6
145.52374	0.3
147.02634	3.6
147.04413	0.6
148.03987	0.3
149.00562	0.7
150.05530	0.9
150.09154	0.6
151.02107	1.4
151.07545	0.4
152.07100	1.0
153.03705	1.0
153.07149	0.3
162.02205	2.7
162.05475	1.7
163.02072	0.4
164.07030	0.5
165.07874	2.5
166.03221	4.1
168.10222	1.7
169.09796	0.3
174.99219	8.6
175.00720	0.6
175.02081	3.2
176.98895	4.0
177.05447	0.4
178.04991	1.2
181.03201	2.3
181.06509	0.4
183.04729	1.9
190.04974	4.2
192.02415	2.4
192.04063	0.3
192.04750	0.3
197.05940	0.4
198.05829	1.1
200.07364	1.2
207.04736	13.6
210.09204	0.5
219.07814	0.3
224.07333	2.8
226.08589	0.3
227.07048	0.3
228.10417	0.3
234.05701	0.3
235.04384	0.4
238.08644	1.0
242.08168	0.8
248.07259	0.3
250.99998	0.6
252.06731	0.4
252.99803	1.0
253.05190	1.3
254.08191	0.3
256.09714	1.2
258.07800	0.5
266.08109	2.1
270.07797	3.1
272.09244	0.7
283.10883	0.6
284.09073	1.3
287.10623	1.3
293.09601	1.0
294.07675	1.4
295.08493	0.3
300.08664	7.0
311.10419	0.4
312.08701	8.0
313.10736	0.4
329.11557	14.2
329.15021	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65041	0.7
55.05507	2.8
56.34225	0.5
57.03453	0.8
65.03908	0.6
67.05501	8.4
69.07066	1.5
70.08023	0.6
71.04968	0.7
71.31329	1.4
79.05495	5.6
81.03431	0.9
81.07052	4.7
83.04972	0.7
83.08629	1.9
91.05483	4.4
93.07035	4.6
95.04965	2.8
95.08606	4.0
97.10126	1.2
98.98468	100.0
105.07043	3.3
105.69077	0.6
107.08591	4.6
109.10166	4.4
110.07220	0.6
111.08043	0.8
116.99517	3.2
117.07048	0.8
119.08607	2.5
121.10129	3.2
125.09672	1.0
131.08600	1.8
133.10123	1.6
135.11673	0.8
137.09634	1.9
140.01097	1.0
145.10081	1.3
147.11723	0.9
149.09648	0.9
154.12273	1.0
161.13312	0.6
172.13347	0.9
173.11739	3.6
173.13083	0.8
174.99220	7.9
176.98938	3.8
235.06020	1.3
251.00151	0.9
252.99907	0.8
275.20126	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	328.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.6
56.05016	0.9
57.03448	0.5
60.04515	1.3
62.48805	0.5
69.07047	1.4
69.33847	0.4
70.02966	0.4
70.06593	33.0
70.31384	0.9
70.31774	0.9
70.55667	0.5
71.06940	0.6
72.08154	35.9
74.06075	0.9
79.05486	0.5
82.06559	0.5
84.04489	2.2
84.08140	6.1
85.02887	0.8
85.08459	0.6
86.09705	50.3
87.10033	0.9
88.04005	0.8
89.03918	2.5
91.05484	1.7
93.07037	0.8
98.98466	100.0
99.42095	0.4
100.98898	0.9
102.05521	0.6
103.05439	1.0
105.03366	0.6
107.04977	0.8
110.07160	3.0
112.08704	0.8
115.05455	1.2
116.07092	51.8
116.99513	4.1
117.02629	0.8
117.03387	9.1
118.06581	0.8
118.59519	0.4
119.04916	1.3
120.08102	6.5
123.04442	0.7
126.37573	0.5
129.10268	3.1
130.05002	0.8
132.82620	0.4
133.02824	0.8
134.03613	1.0
135.04442	0.8
136.07578	1.8
137.06018	1.5
137.09726	0.4
140.01106	1.2
141.10190	0.9
143.04921	0.5
145.02847	18.8
146.03207	0.5
147.04460	1.0
149.05974	3.4
151.07538	0.6
152.07100	0.8
154.04784	0.4
161.06009	1.7
163.03955	0.9
163.08682	0.5
164.07089	1.8
165.00163	0.7
166.04956	0.6
166.08632	1.6
171.07985	0.5
173.06044	0.6
174.99223	7.6
175.07584	0.7
175.99623	0.7
176.07098	0.6
176.98950	3.2
177.05473	32.6
178.06073	1.0
183.11205	0.5
185.16501	21.8
186.16833	0.5
190.04944	0.7
194.47487	0.5
201.12373	2.4
204.06590	1.0
209.02705	0.6
211.00679	0.9
213.15999	11.3
215.10661	0.8
215.13921	1.3
229.11861	1.1
231.09883	0.9
234.07671	0.7
239.00035	0.6
246.15045	1.3
251.00049	0.9
252.99744	1.4
266.08054	0.5
278.17645	2.0
283.09796	0.7
296.18576	1.0
300.08725	1.1
312.08743	1.6
328.08560	1.1
328.11987	2.3
328.22159	0.6
329.11548	1.5
329.15100	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	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.82960	0.8
55.01883	1.4
55.05511	22.9
67.05518	7.1
68.48040	0.6
68.82530	0.8
68.96838	0.7
69.03419	3.2
69.07069	9.4
69.47374	4.9
69.47783	1.8
79.05494	10.1
81.03406	1.1
81.07055	9.7
83.04971	2.6
83.08614	16.5
91.05465	4.7
93.07057	5.5
95.07603	0.7
95.08611	2.9
97.10169	30.6
98.20772	1.4
98.98466	100.0
101.09650	1.0
105.07031	5.5
107.04979	1.2
107.08591	31.8
109.06535	1.2
109.10169	2.0
111.08083	1.1
116.99504	3.1
117.07027	1.3
119.08601	3.6
121.10131	1.0
125.09629	24.7
131.08594	2.0
133.10175	4.1
135.08061	1.9
135.11673	1.8
140.01099	1.5
143.10681	1.1
145.10126	2.7
147.11729	2.2
149.09631	2.6
151.07489	0.9
153.09125	2.7
159.11687	1.3
171.10202	1.9
171.11818	0.9
174.99228	10.0
176.98940	3.2
177.05498	1.4
189.11221	33.1
190.11617	0.8
197.13345	1.1
215.17906	0.8
233.72427	0.8
251.00037	1.0
252.99638	1.4
257.18890	3.7
275.20053	25.5
293.21201	2.1
328.19135	0.8
328.32581	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	328.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64765	0.2
55.05502	0.5
63.02370	0.3
67.05497	0.4
69.07056	0.4
69.73251	0.6
69.73658	1.0
70.06586	3.6
72.08157	2.5
73.08493	0.2
78.04710	0.4
79.05480	0.3
81.07025	0.4
84.04492	1.2
84.08150	1.6
86.09706	3.4
87.12000	0.2
88.03997	0.4
89.03910	8.6
89.70940	0.2
91.05482	2.3
93.07037	0.6
95.04982	0.3
98.98460	30.5
103.05460	0.7
105.06996	0.3
106.04161	0.6
107.04961	0.6
107.08590	0.2
110.07150	0.7
111.04454	0.2
112.08690	0.3
115.05453	1.2
115.08698	0.2
116.99475	1.1
117.03371	27.4
119.04948	1.0
120.08114	1.2
120.08858	0.3
123.04439	0.8
124.07602	0.3
129.04434	0.3
129.10236	0.8
130.05031	0.6
131.04955	0.3
133.02873	0.5
134.03609	1.7
134.04512	0.5
134.05962	0.3
135.04404	2.0
136.07550	1.6
137.05986	1.0
140.01062	0.4
143.04906	1.9
145.02837	60.1
146.03188	0.9
147.04353	0.5
148.07486	0.3
149.05974	9.5
151.03900	0.7
151.07553	0.5
152.07010	0.3
155.21642	0.2
158.06061	0.4
160.03967	0.3
161.05968	2.8
162.03101	0.3
162.05473	0.5
163.03874	0.8
165.05498	0.5
166.08597	0.4
168.10141	0.2
173.05960	0.4
174.99188	2.5
175.07550	0.9
175.99614	0.3
176.98909	0.7
177.05457	100.0
178.04909	0.7
178.05922	0.7
186.05432	1.9
192.06575	0.3
204.06551	2.0
206.07854	0.3
229.15324	0.2
234.07503	0.3
252.99805	0.3
276.15317	0.2
293.08820	0.3
296.09698	0.3
310.14780	0.3
328.08151	0.5
328.11786	4.2
329.11258	0.6
348.99973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1179
Annotation	Terrestriamide
Peak:m/z	Relative Intensity
50.01587	0.2
55.01852	0.1
60.98585	0.1
61.11768	0.2
63.02377	0.4
67.05496	0.2
69.07053	0.1
69.96449	0.8
70.06581	0.8
72.08157	0.4
74.06072	0.2
78.04733	0.3
79.05483	0.3
84.04500	0.3
84.08148	0.2
86.09695	0.5
89.03913	7.6
91.05479	1.4
92.21333	0.1
93.07054	0.4
95.04963	0.2
95.08556	0.2
98.20818	0.1
98.30870	0.1
98.98463	21.2
100.11241	0.4
103.05473	0.3
105.04523	0.2
105.07007	0.2
106.04156	0.6
107.04935	0.5
109.06509	0.2
110.07124	0.3
114.09123	0.2
115.05482	0.8
116.99540	0.7
117.03374	24.9
118.03730	0.3
118.06570	0.2
119.04959	0.6
120.08025	0.2
121.06493	0.4
123.04414	0.3
127.03872	0.2
131.84335	0.1
132.04449	0.1
133.02832	0.6
133.06505	0.2
134.03613	1.9
134.06058	0.2
135.04419	2.0
136.07571	1.5
137.02373	0.4
137.05986	0.5
140.01074	0.2
143.04906	0.9
145.02838	57.6
146.03210	0.7
147.04346	0.3
149.05974	8.3
150.06343	0.2
150.24551	0.1
152.04578	0.2
152.07060	0.2
158.05983	0.4
160.03877	0.4
160.05125	0.2
161.05992	1.9
162.03175	0.2
162.05434	0.3
163.03906	0.8
165.05476	0.2
167.07059	0.3
174.99222	1.8
175.07541	0.5
177.05461	100.0
178.04778	0.4
178.05821	0.7
186.05489	2.6
191.07040	0.4
192.06610	0.3
192.10225	0.2
199.11563	0.2
203.08603	0.2
204.06532	1.6
222.80530	0.1
251.00060	0.2
252.99593	0.2
271.09714	0.1
292.22919	0.2
310.23944	0.1
328.11786	3.8
328.29578	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	328.1178
Annotation	Terrestriamide
Peak:m/z	Relative Intensity
55.01865	0.4
55.05492	0.3
56.05038	0.3
63.02369	0.3
66.58809	0.2
67.05499	0.4
69.07064	0.3
69.19960	0.2
70.02932	0.3
70.06593	1.9
71.57543	0.2
72.08150	1.1
74.02423	0.4
74.06070	0.3
76.62669	0.2
78.04706	0.4
79.05499	0.4
81.07049	0.7
83.08566	0.2
84.04511	0.5
84.08148	1.0
86.09696	2.3
88.03960	0.9
89.03913	7.2
91.05488	1.6
91.08333	0.2
93.07040	0.5
95.04980	0.3
97.06557	0.3
98.98462	22.8
101.07149	0.3
103.05466	0.5
105.07016	0.3
106.04179	0.5
107.04950	0.4
110.07159	0.4
115.05446	0.8
115.96719	0.2
116.06990	0.3
116.99504	0.9
117.03376	24.1
117.07007	0.4
118.03771	0.2
119.04928	0.7
120.08096	0.6
121.06513	0.4
122.97191	0.2
123.04414	0.5
124.05230	0.3
129.04456	0.2
129.10231	0.6
131.04913	0.2
133.02806	0.2
134.03612	1.6
134.04495	1.0
134.06035	0.3
135.04407	2.2
136.07571	0.9
137.02338	0.3
137.05977	0.5
143.04939	1.3
143.11815	0.2
145.02838	54.7
146.03149	0.7
147.04419	0.5
149.05983	7.4
149.13232	0.2
152.07079	0.4
158.05980	0.3
160.03947	0.3
161.05945	1.9
162.05525	0.2
163.03853	0.9
174.99225	1.7
175.07515	0.6
177.05461	100.0
178.05792	0.8
186.05493	1.7
187.14439	0.9
192.06548	0.3
195.13710	0.2
204.06523	1.6
215.13828	0.2
222.07483	0.2
250.99918	0.2
296.77194	0.2
328.07983	0.3
328.11810	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	327.289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17665	0.3
53.03937	0.4
55.01862	0.5
55.05509	2.3
57.07063	1.2
65.02271	0.3
66.32298	0.3
67.05489	2.6
69.03435	0.8
69.07060	4.7
69.30304	1.8
69.30723	1.0
70.06580	1.3
71.04976	0.6
71.08608	0.6
72.08140	0.7
77.01558	0.4
79.05481	2.3
81.03394	0.4
81.06596	0.6
81.07052	8.6
81.27795	0.3
83.04974	0.4
83.08600	1.5
84.04502	0.5
84.08147	0.9
85.06527	1.7
86.09683	0.9
89.03905	1.0
91.05460	2.2
93.07043	3.5
95.04954	1.0
95.08600	6.8
97.06535	0.9
97.10163	0.7
98.98457	100.0
99.08083	1.3
103.05440	0.7
105.07032	1.6
107.04971	0.5
107.08586	4.2
109.10139	3.1
110.07153	0.7
111.08071	2.2
111.11737	0.6
116.99503	3.4
117.03362	2.8
119.04939	0.4
119.08548	1.2
120.08095	3.5
121.06526	0.4
121.10144	2.6
123.08074	0.4
123.11694	3.2
131.04865	0.3
131.08533	0.4
133.02914	0.5
133.10141	0.5
134.05975	0.5
135.11684	1.5
136.07570	1.1
137.05963	1.8
137.09625	0.5
137.13266	1.3
139.11221	0.6
140.01041	1.1
145.02829	6.7
147.04376	0.5
147.11684	0.6
148.06146	0.4
149.05981	1.4
149.13240	1.3
153.12766	0.9
155.14297	0.7
161.05966	0.6
163.03857	0.5
165.12781	0.8
174.99210	10.9
175.00710	0.7
177.05446	13.3
177.16406	0.5
179.08531	0.5
180.10193	0.9
185.92188	0.4
224.08238	0.4
234.06895	0.5
235.07489	1.1
249.08945	0.5
250.99992	1.8
252.07657	0.4
267.10156	0.9
277.08652	0.7
284.05896	0.4
291.26825	0.5
295.09641	1.0
309.27753	0.5
327.12289	2.5
328.12268	0.6
328.19095	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	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42142	1.0
55.05515	7.4
57.03431	1.1
57.07061	2.9
63.79622	0.9
67.05499	7.9
69.07066	15.5
69.73966	4.0
69.74377	2.1
71.04985	1.7
78.18289	0.9
79.05482	4.6
81.06606	2.1
81.07056	28.2
83.08624	5.4
85.06544	6.1
91.05503	6.7
93.07038	9.5
95.08607	18.8
97.06528	1.4
97.10144	2.3
98.98464	100.0
99.08092	3.8
105.07022	4.2
107.08579	9.3
108.82160	1.1
109.10159	10.5
111.08069	9.0
111.11716	1.3
116.99498	3.2
117.03391	2.6
119.08578	1.4
120.08123	2.8
121.06485	1.1
121.10126	5.5
123.11713	8.2
134.09641	1.2
135.11702	5.5
136.07616	1.9
137.05939	2.4
137.13220	6.1
145.02847	8.7
147.11736	1.9
149.13258	4.4
155.14281	1.9
164.04456	1.1
165.12776	2.6
174.99199	10.8
177.05467	13.5
267.10229	1.8
291.26871	2.1
309.27911	2.4
327.12317	3.1
327.20453	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	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03941	4.5
55.01865	1.1
55.05507	4.1
57.03434	1.5
57.07073	2.0
65.03954	1.2
65.58324	0.7
67.05501	7.4
68.35446	0.7
69.07079	3.8
71.36398	1.3
72.08144	1.2
77.03922	1.1
79.05493	5.1
81.03419	1.3
81.07050	7.8
83.04982	0.9
83.08634	1.6
85.06515	1.3
89.54527	0.7
91.05489	7.7
93.07038	16.1
95.04964	23.4
95.05582	1.4
95.08612	13.1
97.06522	3.9
98.98464	100.0
103.05462	0.8
105.04507	2.5
105.07034	13.9
107.04987	0.8
107.08572	8.2
109.06510	3.2
109.10130	5.1
115.05417	0.7
116.99514	2.5
117.07017	4.5
119.08574	13.0
121.06519	3.7
121.10139	6.6
123.08059	2.8
123.11687	2.1
128.06194	1.2
129.06995	3.1
131.08565	5.3
133.06493	1.0
133.10126	9.9
135.08041	1.8
135.11713	3.6
137.05977	1.2
137.09616	1.5
140.01050	1.3
142.07782	2.2
143.08583	4.3
144.09341	1.3
145.06433	1.0
145.10133	10.1
147.08084	1.0
147.11711	3.9
149.09613	0.9
149.13208	0.9
152.06224	12.1
153.06982	8.8
155.08557	2.0
156.09357	1.4
157.10130	6.9
159.08078	1.1
159.11697	7.8
161.09634	3.0
161.13245	0.9
168.05701	3.3
169.06451	1.5
169.10152	3.8
170.10939	1.1
171.08026	1.2
171.11649	3.3
173.09532	1.0
173.13286	3.3
174.99219	11.7
175.01482	1.0
175.11186	1.3
175.14851	4.2
181.10114	1.4
183.11693	1.9
185.13211	1.7
187.11250	0.9
187.14758	3.7
193.10115	0.7
195.11618	1.2
197.13275	2.7
199.14851	2.6
201.16397	1.1
209.13245	2.2
210.14134	0.9
211.14795	1.9
213.16360	1.1
215.02545	3.1
217.15865	1.3
220.12045	0.7
223.14828	1.0
225.16296	1.0
228.09264	3.3
229.10028	1.9
233.03610	11.5
235.14804	1.0
237.16620	0.7
243.17406	0.7
251.00063	1.7
251.04655	5.5
265.19562	0.9
309.22183	1.5
310.31088	0.9
327.07803	41.1
327.22977	4.8
327.33606	1.2
328.08173	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	326.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.06450	0.5
55.01858	0.7
55.05500	2.4
57.07065	1.7
60.28244	0.5
65.71171	0.4
67.05502	7.1
69.03417	0.5
69.07066	9.2
70.06595	1.0
70.07421	0.6
71.04996	0.9
71.45320	0.8
77.01607	0.8
79.05489	18.8
81.07050	12.4
82.07399	0.7
83.04976	1.3
83.08602	1.5
84.04482	0.8
84.08142	0.7
85.06524	0.5
86.09702	76.3
87.10031	1.3
89.03914	7.6
91.04979	0.8
91.05486	7.5
93.07040	25.7
94.07365	1.2
95.04971	2.3
95.08596	4.6
96.08949	0.8
97.06535	1.6
98.98460	100.0
103.05477	0.9
105.07036	3.1
106.07285	0.5
107.04955	2.0
107.08588	16.6
109.06501	1.4
109.10175	1.4
116.99508	4.6
117.03376	27.3
117.07023	2.2
118.03690	1.1
119.08572	2.0
121.06490	1.6
121.10118	3.5
122.10474	0.6
123.08092	0.8
125.05983	1.0
125.09545	0.5
131.04930	1.3
131.08546	2.3
132.04439	2.0
132.10194	44.5
133.10091	3.9
134.03641	2.2
135.04388	2.2
135.08041	1.9
135.11685	18.8
137.05972	1.3
140.01060	1.5
145.02835	50.0
146.03175	2.9
149.05978	8.7
149.13249	16.5
150.05466	2.8
150.13609	1.1
151.14838	1.2
158.06059	0.8
159.11658	2.0
163.03880	1.4
164.04227	1.0
174.99211	12.7
177.05463	84.5
177.12714	8.5
178.05821	5.3
186.05551	1.4
194.15405	0.7
195.13843	1.0
205.04913	2.2
237.09100	0.9
251.00006	2.0
253.08354	0.7
262.21649	13.1
263.22125	0.8
266.08868	0.5
266.99954	0.6
269.08185	3.1
269.10709	0.6
274.18906	0.8
277.08554	1.1
283.09546	0.9
294.08817	0.6
295.09479	0.7
297.07620	3.2
308.08929	0.6
308.22177	23.7
309.22641	1.0
311.09027	0.6
326.10303	4.3
326.23013	2.9
327.12308	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	326.2323
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
53.03934	0.9
55.01870	0.6
55.05500	2.0
56.03365	0.7
57.07063	1.2
57.16489	0.6
67.05502	8.0
69.07063	10.6
70.02165	2.5
70.02579	1.6
74.02422	0.7
79.05492	20.9
81.07052	11.5
83.04995	1.0
83.08625	1.1
86.09702	100.0
87.13702	0.7
91.05478	9.4
93.07040	33.1
95.04972	1.7
95.08591	3.9
97.06517	1.5
98.98463	55.0
105.07011	5.7
107.04969	1.4
107.08584	19.6
109.06525	1.1
109.09369	0.7
116.99518	1.3
117.07002	5.3
119.08591	1.8
121.10143	3.9
131.08574	4.5
132.10201	56.7
133.10117	10.6
135.08069	4.0
135.11684	25.0
149.13245	18.0
151.14828	2.4
159.11676	3.2
174.99231	6.5
177.12733	14.0
192.13876	1.0
210.41365	0.6
228.51305	0.6
238.14381	1.2
251.00116	1.1
262.21652	18.8
263.21979	0.9
276.15744	0.8
290.21231	1.6
308.22177	35.5
309.17593	0.8
309.22443	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	326.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01875	0.9
55.05505	2.4
57.07071	1.4
67.05502	6.6
69.03425	0.7
69.07069	11.3
70.06597	1.1
71.04974	0.6
79.05494	18.4
81.07053	10.8
83.04977	0.9
83.08611	1.0
84.08139	0.8
86.09702	100.0
87.10039	1.0
91.05482	9.4
93.07040	34.0
94.07362	0.6
95.04986	1.7
95.08592	5.5
97.02940	0.6
97.06541	1.3
98.21497	1.6
98.98464	70.6
105.07021	4.8
105.21702	0.5
107.04967	1.5
107.08590	17.8
107.09317	1.1
109.06503	1.0
109.10211	0.5
116.99496	3.1
117.07021	4.6
119.08601	1.8
120.08108	0.9
121.06535	0.5
121.10167	3.8
128.10779	0.6
130.08662	0.6
131.08551	3.1
132.10197	60.0
133.10107	10.4
135.08034	3.1
135.11685	25.8
137.05998	0.6
149.12047	1.0
149.13249	15.4
150.13528	0.5
151.14844	2.0
159.11707	3.0
163.03972	0.6
164.04245	1.3
174.99217	9.1
177.12747	14.7
192.13879	1.3
222.65024	0.6
237.09169	0.9
238.14465	0.9
250.99974	1.0
262.21637	18.9
263.21997	1.0
266.09924	0.7
269.08035	1.6
290.21118	0.9
290.53073	0.5
292.60657	0.6
293.08698	0.5
294.09317	1.2
297.07574	2.0
308.22177	32.4
309.22531	1.6
326.11249	0.8
326.23230	0.8
327.12259	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	326.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01856	0.5
55.05509	2.0
57.07064	0.9
60.66987	0.4
65.53288	0.5
67.05504	6.7
69.07068	10.7
70.04450	1.9
70.04825	0.9
79.05490	20.2
81.07054	10.6
83.04988	1.0
83.08620	0.9
86.09703	100.0
87.10033	0.8
91.05478	9.6
93.07040	33.5
95.04977	1.7
95.08605	3.8
97.06538	1.1
98.98465	12.4
105.04465	0.5
105.07027	4.5
107.04929	1.0
107.08588	19.1
109.06516	0.5
117.07009	4.0
119.08556	2.1
121.06537	0.7
121.10149	3.0
131.08578	3.3
132.10201	57.8
133.10126	11.2
135.08078	2.7
135.11687	25.4
149.12038	0.9
149.13252	16.3
151.14813	1.3
159.11696	2.8
174.42953	0.4
174.99214	1.6
177.12743	13.5
192.13742	1.2
192.54872	0.6
238.14383	0.5
262.21664	17.3
263.21945	0.9
290.21008	0.5
308.22177	28.4
309.22473	0.8
323.47366	0.5
326.23065	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	326.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
54.07360	0.5
55.01862	1.0
57.03428	1.4
59.55107	0.4
60.04529	0.8
61.02911	1.7
68.99777	0.8
69.03429	10.5
69.85687	1.4
69.86102	1.5
70.03767	0.7
70.06589	18.3
71.04984	0.9
72.08143	0.9
73.02911	1.5
81.03414	4.8
84.04491	1.7
84.08130	1.7
85.02903	25.0
86.09717	3.7
87.00825	12.3
89.03893	0.8
90.04247	0.6
91.05470	0.5
95.04967	0.5
97.02898	7.7
98.06075	0.9
98.21413	0.9
98.98464	100.0
99.04465	2.8
102.05516	0.5
105.01865	19.6
107.04972	1.4
108.04576	0.7
109.02872	6.7
110.07170	2.0
116.07098	2.7
116.99513	3.4
117.01881	0.6
117.03364	0.7
118.03751	0.6
119.04971	0.6
123.04443	0.7
126.05572	0.6
127.03915	17.2
128.04266	0.8
129.10243	0.8
132.04439	0.7
134.05971	0.7
135.04405	3.2
136.04752	2.0
136.07545	0.5
137.05989	1.2
145.04951	6.4
146.03186	1.6
151.06271	1.2
152.07155	2.8
159.02901	1.9
163.03894	9.7
164.04260	14.4
164.07054	1.0
174.99226	12.4
175.00723	1.0
180.01164	1.5
183.14886	2.5
188.08380	0.5
189.03937	1.4
200.50844	0.5
211.14426	2.8
213.12354	5.2
228.06470	0.7
231.04974	4.1
246.07680	0.6
249.06076	1.6
251.00053	1.6
308.07828	0.6
326.08804	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	326.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
53.98466	0.7
54.27998	0.6
55.05503	2.1
57.03440	0.6
57.07092	1.0
58.06604	0.6
67.05493	3.5
69.03430	1.6
69.07069	5.0
69.24218	2.7
69.24641	3.5
70.06592	0.9
71.05021	0.9
79.05486	8.4
79.48956	0.6
81.07047	7.6
82.07372	0.6
83.04980	0.7
83.08625	1.0
84.08951	0.7
86.09705	37.6
89.03914	8.9
91.05481	4.3
93.07036	13.0
95.08601	3.8
97.06525	1.5
98.98464	89.8
99.70691	0.7
103.05451	1.1
105.07045	1.6
107.04933	1.1
107.08592	9.9
109.06527	0.9
109.10143	1.6
116.99516	3.2
117.03374	28.2
117.06997	1.5
119.08577	1.4
121.06523	0.7
121.10136	1.7
123.08084	0.8
125.06030	0.9
128.04260	0.7
131.04939	0.9
131.08585	1.5
132.04497	1.6
132.10201	21.2
133.10135	2.6
134.03609	1.4
135.04414	2.8
135.08084	1.1
135.11700	9.9
145.02843	59.1
146.03120	1.1
149.05981	9.3
149.13258	8.1
150.05504	5.0
151.07504	0.8
159.11731	1.4
163.03902	2.0
164.04227	1.8
164.07141	0.8
174.99214	11.9
177.05466	100.0
177.12735	6.2
178.05777	1.8
186.05501	2.4
205.04837	1.2
250.99994	1.5
254.57286	0.7
262.21652	7.9
264.16733	0.8
265.08392	0.8
269.08029	2.0
283.09589	0.7
297.07458	1.9
308.22198	14.1
316.62732	0.7
326.10385	5.3
326.23117	2.3
327.12231	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	325.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01847	0.7
55.05503	3.1
57.03414	0.6
57.07064	1.4
60.56942	0.4
61.02910	0.7
63.02372	0.5
65.03925	0.5
67.05144	0.5
67.05499	6.6
68.05827	1.2
69.03426	8.7
69.07063	8.0
70.03758	0.5
70.06570	0.6
70.07394	1.0
70.37784	0.4
70.51569	0.4
71.04989	3.7
71.07213	0.9
71.08627	0.4
72.05325	0.7
79.05487	6.4
79.45161	0.4
80.05828	1.7
81.03419	0.9
81.07050	16.3
82.07366	1.6
83.04965	1.2
83.08615	1.9
84.04474	0.4
84.08113	0.4
85.02909	0.7
85.06525	1.4
86.09701	21.8
87.09474	0.7
87.10028	7.8
89.03908	5.2
91.05479	8.5
92.05806	3.9
93.07040	7.4
93.07625	0.5
94.07365	0.9
95.04998	1.7
95.08604	11.1
96.05311	0.4
96.08893	0.6
97.02887	1.4
97.06501	0.9
97.10159	0.9
103.05487	0.6
105.07021	7.9
106.07353	3.8
107.04938	2.5
107.08593	5.1
108.05331	0.4
108.08921	1.0
109.02853	0.7
109.06512	1.2
109.10151	7.0
110.06796	0.4
111.08073	3.3
111.11697	0.9
115.05445	0.8
116.04929	0.5
117.03374	7.6
117.07021	0.4
119.04922	0.4
119.08578	5.0
120.08883	2.0
121.06525	0.4
121.10139	4.0
122.10483	0.5
123.08044	0.8
123.10835	0.8
123.11695	9.6
125.06013	0.6
125.09617	0.7
127.03912	4.5
129.06964	1.3
130.05016	0.4
130.06511	3.3
130.07338	0.7
131.04907	0.8
131.08546	2.0
132.08928	1.2
132.10194	9.1
133.02847	0.4
133.06485	1.7
133.10181	4.5
134.06833	0.8
134.10460	4.7
135.04413	16.0
135.07985	0.7
135.11711	2.4
136.04694	0.7
136.11996	0.5
137.05975	2.7
137.13231	1.5
139.11159	0.6
145.02844	11.7
145.03908	0.5
145.10118	1.3
146.03142	0.7
147.04446	0.4
147.08072	2.3
147.11674	3.9
148.08334	1.6
148.12021	3.6
149.09599	1.2
149.13239	2.1
150.09988	0.8
150.13589	0.5
151.07536	0.8
151.11200	2.3
151.14857	0.4
152.11461	0.5
158.06024	1.0
158.10483	0.6
159.11679	0.9
161.13193	1.1
163.03893	100.0
163.11151	0.7
163.14816	0.9
164.04231	6.1
173.06056	0.5
175.07483	0.5
175.11197	2.9
175.14832	0.6
176.11519	4.4
177.16403	0.4
181.04889	0.9
187.14722	0.5
189.16356	0.7
193.12210	2.9
193.14011	0.6
194.12579	5.4
201.05411	0.4
203.17859	0.6
215.17973	0.6
222.06830	0.4
254.17473	0.5
255.17899	1.6
261.20386	1.4
265.08777	0.5
271.24246	0.6
279.21503	3.4
289.25235	0.7
293.08142	0.8
295.21094	0.8
307.08029	1.1
307.20990	2.2
307.26331	1.4
325.11444	1.4
325.15054	0.6
325.21915	5.8
325.27258	1.7
326.11652	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.5
55.01817	2.5
55.05464	1.4
56.04975	2.0
57.03376	2.3
57.34308	0.5
60.04447	0.7
61.02875	1.2
65.20892	0.5
69.03365	19.8
69.03768	1.4
69.06995	1.5
69.68484	0.6
70.06525	10.4
70.56150	1.8
71.01300	1.2
71.04982	4.5
72.08153	4.6
73.02866	0.8
74.06026	1.3
79.05422	1.6
81.03415	17.0
84.04499	3.2
84.08138	9.8
85.02838	0.9
86.09699	10.7
88.03943	1.1
89.03917	4.1
91.05469	3.7
95.04983	0.6
97.02852	0.6
99.04441	6.1
102.05510	0.9
103.05367	0.8
107.04893	1.9
109.02809	1.2
109.06461	0.7
110.07114	2.1
112.08657	1.5
115.08641	1.0
116.04935	0.8
116.07037	1.0
117.03374	6.8
117.05475	1.3
118.06548	5.5
119.04852	1.6
120.07384	0.5
120.08096	5.5
127.03828	2.3
129.10248	5.0
130.04977	0.6
130.06479	0.8
131.04877	0.8
133.02802	2.2
135.04407	13.6
135.08003	0.5
136.06357	0.6
136.07526	2.2
137.05917	1.8
145.02853	9.5
145.06563	0.9
145.07605	7.6
147.07997	0.6
147.09163	8.8
149.05942	1.3
162.07858	0.9
163.03899	69.5
163.08641	1.3
164.04211	1.6
164.07039	1.0
173.05751	0.9
173.07114	13.1
175.08698	7.5
177.05522	3.2
181.04845	1.1
191.08145	100.0
192.08516	1.5
201.05455	1.2
205.06479	1.2
219.85817	0.6
231.11230	0.7
233.05954	1.3
233.09247	1.1
243.11571	0.6
265.08575	1.3
269.09271	0.7
271.10913	0.9
278.05762	0.9
279.07681	0.8
289.11877	2.3
292.07309	1.1
293.08252	1.9
307.09521	2.1
307.12875	31.8
308.13086	0.7
319.49438	0.6
325.08093	1.2
325.11310	1.6
325.14102	21.4
326.10657	0.8
348.23416	0.6
349.20303	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	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03943	1.8
54.00749	0.4
55.01864	2.4
57.03438	2.6
59.04985	0.4
61.02899	1.2
69.03427	17.3
69.73267	2.4
70.06565	1.7
71.01328	1.1
71.04615	0.4
71.04987	5.5
72.08128	1.0
73.02898	0.7
75.63327	0.3
80.44940	0.4
81.03416	16.7
84.04464	0.5
84.08133	2.5
86.09694	1.6
87.04459	0.4
89.03895	0.8
91.05457	1.3
99.04452	7.3
102.34264	0.4
103.05465	0.5
116.04939	0.4
117.03373	1.9
117.05504	1.9
118.06534	5.7
119.07585	0.3
120.08074	0.8
123.00800	0.4
127.03828	0.6
129.10204	0.7
135.04408	3.3
136.07564	0.5
145.02869	2.7
145.06573	0.3
145.07593	7.1
147.09171	8.7
162.07843	1.0
163.03900	22.0
163.08609	1.1
164.04234	0.5
169.01334	0.5
172.06288	0.5
173.07092	11.9
175.08679	6.7
181.04901	0.4
185.07051	0.4
189.10109	0.4
191.08144	100.0
192.08446	1.5
195.47488	0.4
205.09612	0.6
210.16035	0.5
215.08110	0.6
215.11818	0.4
231.11292	0.7
233.09189	0.9
271.10617	0.4
289.11792	1.7
307.12872	31.6
308.13269	0.5
321.49661	0.4
325.13956	20.2
326.14462	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	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
55.05497	0.6
57.03445	0.2
57.07058	0.2
61.02909	0.7
63.02364	0.2
64.29697	0.2
67.05487	0.5
69.03424	6.6
69.07046	0.7
70.06591	0.8
70.07048	0.2
70.07401	0.7
72.08128	0.2
75.15703	0.2
79.05488	1.5
81.03407	0.4
81.07047	1.7
83.04971	0.2
83.08640	0.2
83.68351	0.2
84.04472	0.2
84.08125	0.6
85.02890	0.6
86.09702	1.2
87.77008	0.2
89.03907	5.2
90.08678	0.2
91.05480	0.6
93.07038	0.7
95.04987	0.4
95.08595	1.0
97.02876	0.7
97.06524	0.2
99.04478	0.4
103.05470	0.3
105.07021	0.6
106.07348	0.3
107.04955	1.8
107.08600	0.6
109.02896	0.3
109.10135	0.7
110.07167	0.3
111.08057	0.4
114.20307	0.2
117.02518	0.3
117.03368	7.1
119.04874	0.3
119.08581	0.4
120.08070	0.4
121.10109	0.4
123.04408	0.3
123.11707	0.5
127.03906	2.8
129.06973	0.2
129.10220	0.4
130.06520	0.6
131.04915	0.2
131.08568	0.2
132.08932	0.2
132.10167	0.2
133.02864	0.2
133.10156	0.5
134.10466	0.3
135.04405	16.3
135.11649	0.3
136.04773	0.3
137.05984	0.5
137.09602	0.2
145.02838	12.0
145.06537	0.3
146.03156	0.3
146.05930	0.2
158.06030	0.4
161.05948	0.2
163.03889	100.0
164.04222	2.4
173.05942	0.2
181.04922	1.2
186.05431	0.3
215.48091	0.2
223.07034	0.2
265.08658	0.4
270.00015	0.2
271.24283	0.2
307.07999	0.9
325.08871	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	325.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.5
55.05519	1.5
56.05041	2.4
57.03429	6.4
57.06775	1.5
61.02922	2.4
69.03445	6.8
69.90100	5.5
70.06592	7.3
71.01340	3.4
72.08149	2.9
72.50891	1.4
73.02918	4.2
79.05462	1.7
81.04556	2.2
81.07045	1.9
84.04510	3.9
84.05622	2.2
84.08130	9.5
85.02912	7.6
86.09710	3.7
91.05491	3.2
94.04053	1.9
96.05608	8.3
97.02897	4.0
98.03530	12.0
106.04065	2.6
107.04952	2.2
108.05589	2.8
109.05094	1.9
110.03476	1.9
110.07145	3.3
112.05103	2.0
115.03972	3.2
117.03419	1.8
121.05096	20.7
122.03525	1.9
123.06711	4.6
124.05106	1.6
125.04610	6.0
125.06982	14.7
126.05395	16.7
127.06155	6.0
129.10262	3.2
133.05043	8.2
135.04465	7.0
136.06177	32.7
136.07310	2.6
136.07639	2.7
137.04532	2.5
137.05977	2.7
138.07738	6.2
145.02838	3.0
145.07562	2.5
148.06168	29.9
149.04559	9.2
150.07762	5.6
151.06168	11.4
151.07321	2.0
152.05669	3.6
152.07031	3.2
153.06468	14.5
154.07227	3.4
160.06131	4.0
162.05557	2.8
163.03894	14.3
163.08656	1.8
164.07077	4.7
165.08841	13.5
166.07265	9.8
175.07358	4.7
176.05704	18.5
177.08818	2.7
178.07275	1.7
193.08327	100.0
194.08653	1.7
194.10349	2.2
203.10779	1.3
248.05650	1.3
280.10309	1.5
297.12885	3.9
307.11328	2.2
325.12643	12.2
326.08633	1.7
342.99924	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	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
61.02913	0.5
67.05489	1.0
69.03426	9.8
69.07056	0.6
69.32013	0.2
69.32320	2.5
70.06588	0.5
71.04978	1.1
72.08147	0.4
74.85284	0.2
79.05486	1.9
80.05839	0.4
81.03397	0.8
81.07040	1.1
82.07381	0.4
83.04971	0.3
83.40215	0.3
84.08129	0.9
85.02914	0.6
86.09702	6.1
87.10023	1.8
89.03916	5.0
91.05470	2.3
92.05817	0.6
93.07029	0.6
95.04987	0.5
97.02895	1.4
105.07041	1.4
106.07383	0.6
107.04955	2.3
107.08567	0.5
109.02868	0.9
109.10147	0.3
117.03374	7.4
119.08573	0.8
120.08090	0.5
120.08862	0.6
121.10090	0.3
127.03915	4.9
132.08846	0.3
132.10191	2.2
133.02843	0.8
133.06509	0.3
133.10332	1.0
134.10475	0.9
135.04404	15.7
135.11539	0.3
136.04790	0.3
137.05916	0.5
145.02843	11.1
145.06384	0.2
147.08070	0.4
147.11674	0.7
148.08356	0.4
148.12082	0.6
149.06015	0.3
152.11404	0.4
161.48294	0.2
163.03893	100.0
164.04227	3.1
173.05974	0.3
175.11134	0.5
176.11447	1.3
177.05472	0.3
181.04970	0.7
193.12236	0.4
194.12602	1.5
195.12491	0.3
201.05299	0.4
209.87886	0.2
255.17845	0.4
279.21564	0.8
292.14191	0.3
295.21146	0.2
307.08267	1.1
307.20908	0.5
308.27890	0.2
325.08701	1.2
325.21997	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	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03937	0.1
55.05514	0.2
57.03446	0.2
60.12661	0.1
61.02927	1.0
63.02370	0.3
65.03951	0.1
67.05492	0.7
69.03424	5.9
69.07075	0.6
69.81627	0.8
70.06589	0.5
71.04993	0.5
79.05489	1.6
81.03425	0.4
81.07054	1.3
84.04503	0.2
84.08123	0.6
85.02888	0.6
86.09698	2.8
87.10028	1.0
89.03350	0.2
89.03908	5.0
91.05486	1.2
92.05772	0.2
93.07030	0.6
95.04959	0.4
95.08598	0.5
97.02882	0.7
97.06481	0.2
98.21505	0.1
99.04472	0.2
103.05499	0.2
105.07006	0.8
106.07359	0.5
107.04957	2.0
107.08587	0.6
108.08929	0.3
109.02859	0.6
109.06495	0.2
109.10149	0.4
111.08093	0.2
117.03370	7.4
117.06993	0.2
118.03709	0.2
119.04961	0.1
119.08570	0.5
120.08102	0.3
120.08911	0.4
121.10122	0.4
123.04435	0.3
123.11703	0.4
124.07587	0.4
127.03905	2.9
129.10220	0.3
130.06535	0.3
131.04916	0.2
131.08604	0.2
132.08849	0.2
132.10202	1.1
133.02821	0.4
133.06494	0.2
133.10313	0.6
134.10454	0.3
135.04405	18.4
136.04694	0.3
136.07529	0.2
137.05963	0.5
144.04424	0.2
145.02837	11.1
146.03142	0.3
147.04359	0.2
147.07927	0.3
147.11659	0.3
148.08391	0.3
148.11980	0.3
149.05956	0.3
149.13258	0.2
158.06023	0.4
161.05891	0.2
163.03889	100.0
164.04202	2.3
173.05954	0.3
175.11145	0.4
176.11545	0.5
181.04922	1.1
186.05461	0.3
189.05469	0.2
190.05008	0.8
192.09627	0.2
193.12262	0.3
194.12541	0.7
198.31976	0.2
201.05472	0.2
222.06822	0.2
233.05988	0.3
237.09106	0.2
249.05367	0.1
250.06270	0.3
255.17894	0.3
261.20309	0.2
263.18097	0.2
279.11203	0.2
279.21426	0.3
293.08047	0.3
297.12238	0.2
307.08365	0.7
307.20840	0.2
307.26080	0.2
325.08905	2.2
325.22003	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	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03945	0.2
55.01859	0.2
56.05022	0.2
57.03425	0.2
59.88627	0.1
60.04520	0.1
61.02927	1.0
63.02351	0.3
67.05495	0.2
67.97497	0.1
69.03427	4.7
69.07069	0.2
70.06590	1.4
71.04959	0.2
71.57211	0.1
71.57644	0.1
71.62708	0.1
72.08157	0.7
79.05499	1.0
81.03413	0.3
84.04481	0.6
84.08134	0.7
85.02897	0.8
86.09703	1.2
88.04002	0.2
89.03349	0.3
89.03912	4.9
91.05476	0.5
93.07034	0.2
95.04952	0.3
97.02883	0.6
103.05457	0.4
107.04961	1.9
109.02853	0.5
109.06464	0.2
109.84735	0.1
110.07182	0.2
110.49570	0.1
115.08720	0.2
117.03374	7.0
119.04912	0.3
120.08125	0.8
123.04451	0.3
127.03911	2.3
128.13928	0.1
129.10239	0.5
130.05008	0.2
131.08540	0.1
133.02831	0.4
135.04410	16.6
136.04750	0.5
136.07553	0.3
137.05943	0.4
145.02843	12.1
146.03271	0.3
147.04375	0.2
149.05945	0.2
162.05484	0.3
163.03896	100.0
164.04222	2.1
177.05458	0.2
181.04985	0.8
181.06297	0.2
186.05431	0.3
201.05501	0.5
205.06468	0.3
214.08630	0.3
233.05879	0.2
237.09151	0.2
250.06181	0.2
293.08072	0.2
304.42880	0.2
307.07993	0.7
325.08832	2.7
325.12622	0.2
343.17706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03924	0.2
57.03423	0.4
61.02910	1.1
69.03429	6.8
69.07081	0.3
69.86991	0.5
69.87390	1.1
70.06579	1.1
79.05478	0.9
81.03394	0.5
81.65659	0.2
84.04510	0.5
84.08132	0.8
85.02900	1.7
86.09681	1.2
87.00822	0.6
89.03362	0.3
89.03907	5.6
89.87265	0.2
91.05447	0.4
94.21661	0.3
95.04939	0.3
97.02870	1.0
98.21410	0.3
105.01852	1.1
107.04956	2.2
109.02857	0.7
110.81721	0.3
117.03377	7.0
119.04943	0.3
120.08060	0.6
121.08439	0.4
123.04432	0.4
127.03914	4.3
128.06265	0.3
129.10240	0.7
135.04405	17.5
136.04756	0.4
136.07588	0.5
139.03879	0.2
143.21112	0.3
145.02840	10.9
145.04926	0.5
146.03117	0.3
149.05966	0.3
150.05492	0.3
151.03854	0.3
152.07057	0.3
163.03893	100.0
164.04243	2.9
171.08115	0.3
180.01289	0.3
181.04919	1.1
188.08322	0.5
217.04971	0.2
231.05029	0.3
269.93195	0.3
300.60785	0.3
307.07971	1.0
325.08865	1.9
325.12250	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	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25766	0.2
53.03941	0.3
55.01857	0.2
56.05033	0.4
57.03424	0.3
58.59343	0.2
61.02909	0.8
63.02365	0.4
67.05492	0.4
69.03429	5.4
69.07039	0.4
70.06588	1.1
72.08144	0.8
79.05486	1.2
81.03403	0.7
84.04494	0.7
84.08144	1.5
85.02914	1.0
86.09705	1.7
89.03915	5.0
91.05456	0.7
93.07027	0.3
95.04993	0.2
95.08605	0.2
97.02874	0.8
98.20728	0.4
99.04436	0.2
102.05544	0.3
103.05457	0.4
107.04951	2.1
109.02874	0.3
110.06036	0.3
110.07123	0.5
115.05457	0.2
117.03377	6.7
118.03713	0.2
119.04962	0.3
119.08549	0.2
120.08087	1.4
123.04413	0.4
125.81798	0.2
127.03904	3.0
129.10229	0.9
131.04855	0.2
133.02824	0.5
135.04411	15.9
135.08015	0.3
136.04756	0.3
136.07613	0.2
137.05980	0.3
143.08655	0.2
145.02841	11.5
149.05983	0.4
161.05931	0.3
163.03896	100.0
164.04214	2.3
164.07059	0.8
173.05888	0.3
177.05513	0.4
181.05052	1.1
186.05409	0.3
201.05490	0.7
204.11363	0.2
205.63417	0.2
265.08508	0.2
293.08142	0.3
297.11646	0.2
307.08127	0.7
307.13080	0.3
325.08850	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	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01859	1.0
55.05497	3.3
57.83258	0.8
65.03954	0.7
67.05504	10.3
69.03434	1.8
69.07062	9.9
69.28812	0.6
69.62785	0.6
69.94037	3.1
70.06593	1.6
71.04990	13.2
79.05487	13.7
81.07052	11.7
83.04985	3.1
83.06100	0.9
84.04517	1.0
84.08131	1.9
85.06540	1.6
86.09703	100.0
87.04461	1.6
87.10024	0.8
89.03915	1.4
91.05479	36.4
93.07043	8.5
95.04948	1.8
95.08614	4.0
100.11257	1.1
103.05439	1.1
104.38303	0.7
105.07029	37.4
107.04961	2.1
107.08590	7.2
109.06532	1.5
110.07175	8.1
115.05437	1.0
117.03344	1.7
117.07033	2.2
119.08576	13.5
120.08112	0.7
121.06548	0.9
121.10139	4.0
123.08031	1.4
125.06001	1.6
128.10725	1.0
129.07013	3.3
131.08557	22.8
132.10197	47.8
133.06487	6.6
133.10123	42.5
134.10381	0.9
135.04405	3.4
135.11708	1.9
137.06036	0.7
142.07838	1.5
145.02835	3.7
145.10139	2.5
147.08058	11.5
147.11678	17.6
147.12794	0.9
149.09613	7.2
149.13321	1.3
151.11179	4.7
154.12265	1.2
156.07643	4.7
157.10139	2.9
163.03896	25.7
163.11069	1.4
165.12769	1.7
175.11177	25.1
180.11404	0.9
192.13802	3.7
193.12245	26.8
208.17006	1.4
238.14409	2.7
254.17467	5.3
260.20132	7.9
278.21121	11.6
294.20786	3.3
306.20544	8.1
324.21848	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03933	0.4
55.01871	0.6
55.05498	2.1
56.70429	0.3
57.03424	0.3
57.05836	0.4
64.87762	0.3
65.03946	0.6
67.05504	10.2
69.03424	1.3
69.07066	10.0
69.96739	1.8
71.04987	14.2
71.05380	0.7
74.02425	0.5
79.05490	13.2
81.03452	0.4
81.07053	12.1
81.07536	0.6
82.07368	0.4
83.04973	3.7
85.06535	1.5
86.09702	100.0
87.04465	1.5
87.10020	0.9
87.60880	0.3
89.03922	0.5
91.05477	32.9
93.07037	8.9
95.04958	2.2
95.08600	3.1
97.06510	0.7
98.20760	0.4
103.05461	0.9
105.07027	29.5
106.07367	0.8
107.04957	2.8
107.08585	7.6
109.06519	2.7
110.21758	0.3
115.05396	0.8
117.03373	1.0
117.07006	2.3
119.08580	15.5
121.06512	1.0
121.10140	4.2
123.08058	2.1
123.11641	0.5
125.05993	3.0
127.03928	0.9
128.10699	0.6
129.06992	4.9
130.08606	0.6
131.08560	10.3
132.10196	49.7
133.06491	6.8
133.10123	26.8
135.04376	1.9
135.11679	1.6
137.05959	0.7
137.13229	0.3
142.07762	1.4
145.02837	1.2
145.10121	2.8
147.08043	13.2
147.11676	19.3
149.09619	6.6
149.13246	2.3
151.07520	0.6
151.11160	5.7
157.10091	2.9
163.03897	11.7
163.11160	1.8
165.12733	1.5
173.09674	0.5
175.11177	23.1
176.11479	0.6
192.13832	2.0
193.12234	25.8
194.12636	0.9
194.15300	0.5
208.16930	1.8
238.14360	1.5
246.06439	0.4
248.20068	1.4
254.02420	0.4
254.17499	7.6
260.20105	5.2
278.21140	14.0
294.20636	4.5
306.20547	6.3
324.21649	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	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03942	2.5
55.01860	1.9
55.05503	9.6
56.96557	2.3
57.07064	4.3
65.03942	1.8
67.05504	23.3
68.05020	1.4
68.05818	2.3
69.03422	5.9
69.07069	19.2
70.06588	5.7
70.07391	2.4
71.04979	1.5
71.60250	2.7
71.60622	1.4
72.08160	1.7
74.14538	1.5
79.05492	17.9
81.07062	35.0
82.07379	10.0
83.04974	3.0
83.08617	3.1
83.89681	1.4
84.04498	2.2
84.08140	3.3
85.02898	2.6
85.06547	1.6
86.09705	100.0
89.03893	2.3
91.05480	59.3
91.40324	1.3
92.05817	2.4
93.07046	14.0
94.07385	2.2
95.04960	6.3
95.08625	10.4
96.08937	2.4
97.06538	3.1
97.44714	1.4
98.97575	2.4
105.07038	41.7
106.07339	2.3
107.04959	2.4
107.08602	6.0
109.06516	4.4
109.10161	7.7
110.10493	2.1
111.08076	2.1
117.03436	3.5
117.07021	3.2
119.04927	2.7
119.08588	15.2
121.06475	2.4
121.10135	5.5
122.10468	2.8
123.11702	8.6
124.12035	6.4
127.03916	3.0
129.07005	5.8
129.10213	2.2
131.08560	37.1
132.10196	51.1
133.02882	2.1
133.10127	65.2
134.10501	2.4
135.04411	7.9
135.08109	1.6
135.11705	1.4
136.07526	2.2
137.05972	7.3
137.09644	2.5
139.11214	3.0
142.12230	2.5
145.02847	6.1
146.10506	1.4
147.08032	1.9
147.11681	23.2
149.05933	1.6
149.13272	2.7
157.10112	3.3
158.99596	1.4
163.03905	43.7
165.12814	1.8
175.11172	20.1
190.05014	2.6
192.13861	9.6
197.48123	1.7
201.05606	2.4
205.06624	1.8
230.71799	1.7
237.08994	1.8
238.14357	7.2
250.06294	3.0
260.20105	12.6
265.08710	2.2
275.16379	1.6
293.08118	1.8
306.20630	21.1
306.25006	8.5
307.09473	2.9
324.09915	1.8
324.21625	7.7
324.26181	5.2
325.10928	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	324.2166
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01871	0.8
55.05501	1.2
58.56297	0.6
67.05499	3.6
69.07066	9.8
71.05177	1.6
79.05487	3.1
81.07056	6.3
83.04979	2.9
86.09702	100.0
87.10040	1.4
91.05479	7.9
93.07039	10.9
95.04973	2.2
95.08590	1.3
105.07029	12.8
107.05000	0.7
107.08576	3.9
109.06522	7.5
111.08073	2.1
119.08557	4.4
121.06522	0.7
121.10103	0.9
123.08093	1.9
123.11703	1.1
128.10738	5.5
129.07031	1.3
131.08592	2.2
132.10193	30.2
133.10127	17.7
147.11684	11.6
149.09654	1.0
149.13269	1.5
151.07607	3.3
151.11177	42.2
156.10234	1.2
165.12746	1.9
175.11183	4.3
193.12265	3.9
201.16199	0.7
210.14949	1.2
236.82709	0.7
260.20081	6.1
278.21140	26.9
306.20615	4.5
324.21643	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	324.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
53.03943	1.7
53.14134	0.8
55.05500	4.6
56.05026	0.8
56.96579	0.8
57.03425	0.9
57.07068	0.9
57.32087	0.8
59.67278	0.8
61.02934	0.9
63.48138	0.7
65.03943	0.8
66.33282	0.8
67.05507	8.0
69.03435	5.2
69.07069	12.4
70.06573	4.6
70.07398	1.0
71.04987	3.2
72.08149	2.5
79.05492	13.8
81.03423	1.3
81.07056	12.9
82.07399	1.3
83.04993	1.2
83.08604	1.5
84.04503	2.0
84.08144	3.9
85.02908	1.4
85.06538	1.0
86.09705	100.0
89.03904	6.1
91.05479	24.5
93.07043	16.5
94.07362	1.5
95.04982	6.0
95.08601	6.4
97.02906	1.1
97.06540	1.5
105.07030	39.6
106.07422	1.0
107.04954	4.2
107.08587	20.1
109.06557	1.3
109.10155	2.6
110.07188	1.6
113.06040	0.9
115.05450	1.4
117.03365	5.4
117.07019	8.5
119.04923	1.1
119.08582	17.6
120.08093	1.8
120.08906	1.6
121.06506	2.6
121.10136	4.5
122.10448	1.2
123.11707	1.0
124.12040	1.4
127.03912	3.1
128.10791	1.2
129.06989	1.9
129.10257	1.9
131.08562	11.7
132.10201	49.5
133.06523	2.5
133.10127	50.7
135.04419	17.4
135.08051	3.1
137.05980	2.2
142.07779	1.4
145.02852	10.9
145.10138	1.7
147.07988	1.6
147.11685	53.5
148.12067	1.0
149.05998	1.5
149.09584	0.9
149.13286	4.7
150.13528	0.8
151.11163	2.4
157.10202	1.7
163.03902	92.0
165.12744	2.5
172.23236	0.9
175.11174	15.1
190.05098	1.3
192.13869	2.8
193.12262	10.1
200.07373	0.9
200.97353	0.9
229.35730	1.1
238.14522	1.3
244.94125	0.9
260.20111	13.9
265.08667	0.9
278.21161	20.5
293.07974	1.0
306.20587	12.7
324.09497	1.3
324.21664	20.0
325.08896	1.3
325.11594	1.0
325.22122	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	324.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08750	10.2
71.50684	14.1
91.16601	9.5
93.44367	9.9
129.10251	16.7
140.19269	11.6
146.73772	12.2
153.61385	11.2
162.05522	39.0
164.14662	10.4
164.24287	9.3
172.98479	100.0
174.85825	9.5
192.04915	13.2
212.09587	10.6
225.28276	9.6
324.05090	20.7
324.10037	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	323.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95045	1.2
53.03923	2.5
53.90115	1.5
55.05514	15.4
57.07065	5.5
60.62665	1.4
67.05503	23.6
69.03419	4.5
69.07069	40.1
69.29756	7.9
69.30192	5.7
70.06594	3.6
71.04984	11.8
71.08621	1.6
79.05488	15.1
80.25661	1.1
81.03410	2.6
81.07054	100.0
82.07387	1.4
83.04962	4.8
83.08614	4.4
84.08129	1.2
85.06544	3.1
86.09663	1.7
91.05473	13.0
92.26676	1.4
93.07047	55.2
95.04964	11.7
95.08607	50.9
97.06538	6.3
97.10150	4.5
98.21544	2.7
99.04461	10.0
103.05463	2.1
105.07027	13.2
107.04949	1.9
107.08594	26.9
108.08925	1.2
109.06507	12.1
109.10153	40.7
110.10508	1.4
111.08067	6.0
111.11698	3.0
111.26200	1.4
117.07018	3.8
118.06520	2.3
119.08580	16.8
121.06503	1.8
121.09322	2.3
121.10139	23.3
123.04484	1.3
123.08069	2.2
123.11712	27.7
125.09628	4.4
127.07554	4.2
129.06953	1.8
131.08568	3.5
132.08067	1.4
133.01108	1.2
133.10135	11.0
135.04393	3.6
135.08057	2.3
135.10710	1.9
135.11687	20.5
137.05968	2.3
137.09630	4.5
137.13234	13.5
138.53119	1.2
139.11166	6.2
143.08549	2.8
145.10127	7.7
146.05998	7.4
147.08000	1.8
147.11655	8.1
148.03976	1.7
149.05930	7.4
149.09587	1.9
149.13287	6.5
151.11163	2.8
157.10149	3.2
159.11646	6.8
161.05956	1.4
161.09879	1.3
161.13258	5.4
163.11217	3.1
163.14874	2.2
164.03366	3.0
167.10667	1.4
171.11693	2.9
173.13263	3.8
175.14833	4.2
177.16370	1.7
181.04965	1.8
181.12155	2.0
185.07277	1.3
185.13303	1.8
186.05502	1.9
189.16440	8.8
191.17917	8.6
200.06902	1.6
201.09036	2.1
201.16344	2.7
203.17972	1.9
207.17470	8.5
213.16333	4.2
237.18451	1.4
239.11589	1.5
249.10236	4.4
252.08900	1.8
264.08826	1.6
266.08093	2.0
267.11258	3.9
269.22742	2.8
277.09695	5.4
279.11270	2.0
280.08569	3.2
287.23691	3.1
295.10773	16.0
301.07520	1.8
305.09213	5.4
305.24762	5.2
323.10220	62.8
323.25824	3.9
324.10608	6.6
324.19315	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	323.2579
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03937	3.6
54.35395	1.4
55.01868	3.9
55.05516	22.2
56.96563	3.8
57.03431	4.8
57.07076	12.7
59.04991	3.2
67.05506	34.1
69.03423	14.3
69.07067	53.1
69.16479	3.3
69.16881	16.5
70.44514	1.4
71.05000	8.1
74.36279	1.4
79.05494	20.2
81.03414	4.8
81.07054	100.0
82.07386	1.5
83.04980	5.7
83.08617	12.8
85.02888	4.6
85.06570	7.2
86.09702	11.0
91.04970	2.6
91.05477	21.3
93.07042	50.8
95.04971	14.9
95.08605	55.6
97.06546	14.9
97.10174	8.2
98.97604	3.9
99.08100	2.4
105.07031	22.5
107.04958	2.8
107.08598	30.5
109.06522	18.9
109.10152	34.4
109.10854	2.6
111.08080	29.2
111.11709	4.9
111.86839	1.4
116.98575	2.6
117.07010	1.7
119.04922	1.7
119.08595	18.1
121.06505	3.4
121.10133	34.6
121.10945	2.6
123.08068	6.4
123.11697	45.7
125.09625	5.4
127.07536	2.5
127.11186	2.4
129.06952	2.3
131.08559	8.1
132.10202	3.1
133.10123	19.3
135.04407	2.0
135.08098	2.9
135.11703	12.8
137.05978	3.4
137.09612	5.6
137.13268	7.8
139.07527	6.4
139.11180	12.6
141.12723	3.2
145.10141	5.1
147.11682	14.6
149.05981	3.4
149.09654	5.8
149.13257	9.0
151.11153	7.3
153.12695	3.4
157.10106	3.9
159.11681	6.6
161.09587	2.7
161.13266	6.8
163.14798	2.8
165.12756	5.5
167.10652	11.5
169.12227	4.0
170.01509	1.5
173.13327	2.0
175.11192	2.5
177.05418	1.6
177.12773	2.2
177.16394	3.3
179.10666	1.6
187.13324	2.4
187.14905	1.9
189.16373	3.3
191.18109	1.5
193.12190	1.7
199.11722	2.3
199.14807	1.7
203.18118	1.6
207.17471	2.4
213.16315	1.8
221.19055	2.1
235.20541	1.8
245.22505	1.5
252.08817	1.5
269.22720	2.0
287.23679	4.6
293.24719	2.6
305.24719	24.8
323.10123	13.7
323.15048	3.6
323.25818	26.4
324.10489	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	323.2576
Annotation	5,13-Dihydroxygeranylgeraniol
Peak:m/z	Relative Intensity
55.01871	14.8
55.05509	75.2
57.03413	5.8
57.07055	9.8
66.90311	3.9
67.05490	26.9
69.03427	15.5
69.07070	71.6
70.01545	20.0
70.06599	6.8
71.01337	5.7
71.04970	8.7
76.16868	3.9
79.05488	29.3
81.03422	5.2
81.07053	78.3
83.04979	33.3
83.08609	8.3
85.06542	11.7
91.05473	31.7
93.07047	49.8
95.04970	8.3
95.08604	42.7
97.06529	20.5
97.10155	8.4
98.21444	5.8
99.04451	9.5
99.89520	4.4
105.07030	41.6
107.08593	37.1
107.92108	3.8
109.06511	17.6
109.10163	27.4
111.08081	28.2
113.06010	6.2
119.04922	8.6
119.08584	23.2
121.06520	7.5
121.10148	42.1
123.08056	11.7
123.11689	91.4
123.12485	7.5
124.12092	7.3
125.09633	14.6
131.08598	5.8
133.10129	30.6
135.04453	11.3
135.11674	19.0
137.09509	5.5
137.13278	5.9
139.07549	8.8
139.11186	100.0
145.10135	11.2
147.11697	21.4
149.05984	20.3
149.09625	5.6
149.13258	13.0
149.42439	4.5
151.11166	18.0
157.10109	10.6
159.11674	9.3
161.13225	10.8
165.12761	7.6
167.10695	16.8
173.13284	6.2
175.11130	6.0
175.14803	7.0
177.16411	10.9
187.14896	8.4
189.16377	46.5
199.14757	5.4
201.09027	5.8
202.08519	4.5
207.17462	22.4
213.16417	12.3
249.18533	12.6
260.16296	4.4
269.22580	9.0
287.23700	18.3
305.21335	8.3
305.24734	46.0
323.09277	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	323.2216
Annotation	[8]-Gingerol
Peak:m/z	Relative Intensity
55.01871	8.0
55.05496	17.0
57.03422	6.7
62.06090	49.4
63.06404	7.3
67.05500	37.3
69.07056	21.0
69.99630	7.4
70.00043	20.3
71.04964	5.9
79.05501	34.2
81.07059	35.5
82.07369	5.2
83.05002	6.5
83.08604	6.7
85.06545	5.8
88.95621	4.8
91.05479	31.5
93.07047	31.2
95.04928	8.1
95.08610	28.7
97.10139	7.4
105.07021	29.5
107.04919	8.4
107.08585	17.7
109.06522	15.1
111.04363	5.4
117.07024	11.6
119.04922	6.5
119.08557	16.3
121.06470	8.8
121.10123	14.0
125.05949	8.8
129.06956	6.2
131.08586	17.5
133.10091	14.5
135.04405	16.0
135.08052	17.2
135.11728	12.1
135.44429	5.6
137.05922	7.8
143.08560	9.7
145.10106	17.1
147.08041	6.6
147.11653	9.4
149.05991	36.7
149.09663	6.2
151.07486	7.2
157.10078	6.0
161.09535	5.8
163.11160	12.0
163.76239	5.3
175.11198	12.0
201.08980	6.9
209.96349	4.7
224.11421	5.5
273.18457	21.1
287.20068	34.0
292.23605	6.3
305.21072	100.0
306.25192	10.5
323.22394	28.1
323.27893	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	323.2214
Annotation	4alpha-Hydroxy-18-norgrindelic acid
Peak:m/z	Relative Intensity
50.05212	3.4
53.03928	4.6
55.01863	8.3
55.05511	28.4
57.03433	9.0
67.05497	36.2
69.07055	25.6
71.04967	6.0
71.51243	5.9
79.05482	33.9
81.07045	36.1
82.39217	4.4
83.04990	7.4
83.08601	5.9
87.11400	3.5
91.05489	33.2
93.07034	37.9
95.04968	11.4
95.08600	29.0
97.06505	8.5
97.10151	6.2
105.07033	24.4
107.04945	14.0
107.08583	23.1
109.06520	19.5
109.10142	8.6
111.04430	8.1
111.08086	4.9
117.06995	10.4
119.04947	9.7
119.08597	17.9
121.06481	17.9
121.10133	13.5
123.08042	8.0
123.11711	5.6
125.05951	7.7
125.09592	4.1
129.06973	8.6
131.08566	21.1
133.06490	8.0
133.10065	11.3
135.04410	12.7
135.08055	17.9
135.11632	6.2
137.05962	10.2
143.08531	9.3
145.10118	12.9
147.08006	8.5
147.11658	7.0
149.05966	21.3
149.09607	11.8
151.07520	7.5
157.10109	7.2
159.08006	5.1
159.11575	5.5
161.09610	17.5
163.11160	11.3
171.07887	4.0
171.11693	8.5
175.11220	11.2
199.11368	4.3
202.66129	3.8
206.39441	4.3
207.13782	5.6
217.15724	4.6
245.19028	5.4
255.17526	6.2
263.20013	5.3
273.18497	26.5
277.21515	5.3
287.20053	38.6
291.19586	11.1
305.21109	100.0
323.22110	30.8
323.25357	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	323.1786
Annotation	16beta-Chloro-17beta-hydroxyandrost-4-en-3-one
Peak:m/z	Relative Intensity
55.05510	2.1
56.96559	0.6
57.07076	40.0
58.07399	0.6
59.55357	0.3
59.99111	20.6
60.80669	0.4
62.66769	0.4
67.05511	1.7
69.03425	0.9
69.07069	2.6
69.34277	1.2
69.34700	2.7
70.06578	0.7
72.08165	0.5
74.09721	2.0
79.05477	1.1
81.03378	0.5
81.07059	4.4
83.04968	1.2
83.08607	1.4
84.04537	0.5
84.08149	0.6
85.06541	0.7
86.09692	1.1
91.05479	2.0
93.07042	3.2
95.04945	1.3
95.08606	2.8
97.06533	0.6
97.10143	0.5
99.08113	0.4
104.05893	0.3
104.32123	0.3
105.07018	1.5
107.04961	1.9
107.08573	1.7
109.06495	1.0
109.10158	1.9
109.50852	0.4
111.04403	0.4
116.05315	37.3
119.04948	0.4
119.08547	1.0
120.08091	0.4
121.01080	0.7
121.06503	0.4
121.10138	1.6
123.04423	0.7
123.08092	0.5
123.11701	1.7
125.09578	0.4
130.15916	10.3
131.08559	0.4
133.10132	0.8
135.04395	2.6
135.08037	0.4
135.11642	0.7
137.05991	1.0
137.09544	0.6
137.13260	0.5
147.11703	0.7
149.05971	1.6
149.13286	0.5
152.07101	0.9
153.12773	0.4
157.10168	0.4
160.03938	0.8
161.13251	0.5
161.37579	0.4
163.11200	0.4
167.01678	0.5
172.11552	18.4
173.11935	0.4
175.14775	0.4
176.01657	0.4
178.05009	1.1
182.21696	0.4
188.30193	0.4
194.02682	1.8
224.84062	0.4
255.41467	0.4
263.07068	0.5
292.16556	0.4
305.24765	1.5
323.17871	100.0
323.25568	2.7
324.18213	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57076	1.5
53.03923	1.4
54.47197	1.3
55.05511	7.0
57.03421	2.8
62.06086	100.0
67.05506	18.6
69.07067	5.0
71.97840	1.4
79.05503	15.3
79.11790	1.4
81.07051	17.6
83.04938	1.8
83.08594	2.8
85.72374	1.3
91.05469	7.3
93.07031	16.8
95.08595	12.9
97.10141	1.9
98.20644	2.7
105.07022	6.0
107.08590	8.1
109.06522	1.5
109.10148	6.2
117.07046	1.5
119.08583	3.9
121.10130	5.8
123.08065	1.8
123.11702	1.6
131.08562	3.8
133.10080	1.9
135.04362	2.3
135.11681	4.4
135.18123	1.3
145.10164	2.1
147.11676	2.1
149.05948	4.7
149.13289	2.4
161.09666	1.3
161.13193	2.3
163.14919	1.9
234.39070	1.5
261.21976	1.5
291.23126	1.7
304.26443	1.7
305.21143	4.6
305.24734	17.3
316.82419	1.4
322.24512	1.4
322.27481	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	323.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41581	4.3
70.06600	7.9
71.51052	9.5
72.08141	5.5
84.08129	12.0
86.09695	6.7
90.05529	4.6
94.92999	22.8
105.30426	4.7
106.06526	7.3
112.89539	6.4
129.10233	6.3
135.04410	7.5
137.06030	5.2
145.03973	8.9
149.05946	6.5
163.05110	5.3
172.98438	19.0
177.05437	16.7
187.78711	5.2
188.89622	10.0
191.04526	38.7
222.98839	9.0
230.92203	22.1
248.89587	38.2
250.92085	19.0
322.97028	35.4
323.07288	100.0
323.12271	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	322.2738
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03934	0.8
55.05502	4.5
57.07066	1.2
60.04517	1.4
62.06084	100.0
67.05500	15.5
69.07055	4.2
69.25790	4.4
79.05488	10.0
81.07050	17.7
83.04998	0.5
83.08634	1.8
91.05463	4.3
93.07037	13.0
95.04987	1.0
95.08598	12.4
95.09180	0.9
97.06544	0.5
97.10154	0.9
99.08076	0.5
102.50444	0.4
105.07037	3.3
107.08579	6.7
109.10142	5.1
117.07050	1.5
119.08596	2.3
121.10142	5.6
123.11702	2.6
125.09699	0.6
125.61687	0.5
131.08553	2.5
133.10155	2.2
133.65233	0.4
135.11691	3.3
137.13272	0.9
137.46657	0.4
144.10284	0.7
145.10126	1.3
147.11765	0.8
149.06032	0.7
149.13274	2.3
158.11714	0.4
159.11746	1.3
161.13275	1.0
163.14877	1.5
170.89735	0.4
172.13356	0.5
173.13283	1.3
175.14839	0.7
177.16435	1.4
186.14911	0.5
187.14856	0.6
200.16441	0.8
214.17972	0.7
219.21364	0.5
240.19685	0.5
243.21118	3.0
252.19400	0.5
261.22116	4.2
291.19669	1.4
304.26340	2.4
305.21576	0.6
305.24866	1.5
322.27420	11.7
322.31030	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	322.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84162	4.4
69.84566	9.6
70.06583	6.2
72.08119	3.1
77.78922	2.8
84.08128	3.0
120.08135	4.1
128.14491	2.7
132.93710	2.9
137.05986	8.3
190.01224	25.5
309.42340	3.1
322.05469	100.0
322.09167	5.9
322.96722	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	322.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01861	2.4
55.05501	2.8
57.03432	0.8
58.06598	0.7
66.03424	0.6
67.05496	3.0
69.03416	3.2
69.07063	15.2
69.56291	5.0
70.03764	0.8
70.06584	2.3
71.04985	2.5
72.61849	0.6
74.02426	0.8
79.05486	10.0
81.03406	0.8
81.07042	6.0
83.04969	2.0
84.04490	0.7
84.08132	2.4
85.02901	0.7
85.06587	0.6
86.09700	100.0
87.10038	1.0
88.14208	0.7
89.03895	0.7
91.05461	11.0
91.06026	0.8
91.73755	0.7
93.07039	12.9
95.04964	3.2
95.08612	3.2
96.04421	0.7
98.97541	0.7
103.05466	1.1
105.07021	15.0
107.04954	6.8
107.08586	13.8
108.08910	0.6
109.06520	2.5
109.10177	1.8
112.60000	0.7
115.05457	1.3
116.06260	0.9
117.03361	1.2
117.07008	9.3
118.03703	0.9
118.61471	0.6
119.04949	2.0
119.08572	4.8
120.08125	1.2
121.06474	6.6
121.10136	4.4
123.08070	1.2
127.35193	0.6
128.06242	0.8
128.10724	2.1
129.07021	1.9
130.07791	3.5
130.08650	1.2
130.09679	0.6
131.04900	1.2
131.08559	27.5
132.10196	28.2
133.06436	1.0
133.10144	0.7
135.04433	2.0
135.08095	0.9
135.11650	2.1
137.05980	4.1
143.08603	2.1
145.02844	2.4
145.06491	0.9
145.10115	29.7
146.03195	2.2
147.04356	0.8
147.08063	2.1
147.11642	5.6
149.05978	2.5
149.09605	42.1
150.09967	1.0
155.08530	0.8
163.11166	11.8
165.12770	1.0
173.09572	5.5
175.03947	1.1
177.05444	3.5
178.05821	4.3
183.48108	0.7
191.10649	9.6
206.15393	4.3
207.06596	2.1
208.13362	1.8
220.13358	2.2
227.51387	0.8
245.15132	0.7
252.15939	1.5
258.18478	10.8
273.14838	1.3
275.50296	0.7
276.19568	39.9
277.19971	1.9
281.13763	0.7
282.62180	0.6
287.25763	0.7
304.19009	8.2
322.20148	12.8
322.23969	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	321.2421
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
52.13737	0.8
55.01849	1.2
55.05511	7.6
55.57069	0.8
57.07059	3.3
59.80122	0.8
67.05511	5.1
69.07061	5.1
70.26930	0.9
71.04987	1.7
71.08607	1.4
79.05493	4.8
81.07047	7.2
83.04965	2.0
83.08615	4.0
85.06547	1.1
91.05472	3.0
93.07034	4.5
95.04970	1.7
95.08594	9.1
97.06514	1.1
97.10156	2.6
99.08102	1.7
105.07029	2.8
107.08577	4.4
109.05805	1.2
109.06512	15.0
109.10148	3.4
111.08074	2.6
119.08540	2.1
121.10143	6.4
122.07298	2.1
123.08064	55.5
123.11699	0.8
124.08381	1.2
131.08595	1.2
133.10127	2.4
135.08057	7.8
135.11691	1.6
137.09615	3.5
139.11163	1.0
145.10123	1.5
147.11652	1.4
149.09596	2.0
149.13228	0.9
159.11649	1.0
161.13277	1.3
165.12744	1.1
179.14308	49.3
180.14635	1.3
185.76701	0.8
193.15900	1.3
205.15961	0.8
265.17960	14.6
266.18256	0.9
303.23148	6.0
321.24225	100.0
322.24500	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	321.1445
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
53.03954	1.1
55.05497	3.0
56.05036	2.8
59.50175	1.0
60.04514	2.8
65.03921	3.0
67.05144	1.3
67.05502	22.4
68.05028	1.7
69.03415	4.2
69.07067	1.8
70.06593	40.0
70.11257	4.7
71.06930	1.4
72.08153	16.4
77.10827	1.2
79.05482	4.1
80.05020	2.3
81.03416	1.5
81.07061	1.2
82.06570	2.8
83.05009	1.4
83.06106	1.5
84.04492	4.1
84.08140	15.5
85.02868	1.1
85.08485	1.7
86.09702	9.4
87.05589	1.2
91.05476	4.4
93.07037	4.1
94.06563	15.8
95.04975	9.3
95.06091	1.1
95.07339	3.1
96.08112	3.5
97.06552	1.5
98.06068	2.8
98.21555	1.1
104.31147	1.0
105.03394	1.4
105.07038	2.0
106.06543	1.2
107.04913	1.5
107.07330	4.3
108.08109	15.4
110.06053	7.8
110.07157	6.6
110.09675	4.3
111.04456	1.2
116.07079	1.7
117.03403	1.3
118.06526	1.4
119.04933	1.4
120.08112	13.3
121.06501	1.7
122.06028	13.2
122.09676	1.5
123.04427	1.3
123.06772	2.4
124.03996	1.5
124.07648	1.2
126.05523	2.3
129.06949	1.1
129.10248	10.0
130.04993	1.2
132.08118	2.1
134.05965	2.7
134.09634	2.2
135.04448	1.0
136.07574	13.2
137.05971	2.5
137.08386	2.5
138.05489	54.5
138.09117	12.9
139.03879	2.9
140.07077	1.3
140.08173	1.2
143.08560	2.1
144.08061	4.2
145.02869	3.9
145.08919	1.8
146.05966	1.8
146.08411	1.5
146.09561	1.7
147.04469	1.5
148.07555	13.3
150.05501	4.1
152.07088	3.6
154.06509	2.1
156.06541	20.5
156.07739	2.6
157.10191	1.7
158.04405	1.2
158.09634	5.8
159.10417	2.4
159.12157	1.4
160.11253	1.6
162.05496	2.1
164.07054	2.0
166.08629	21.7
168.08012	1.5
169.08907	3.5
170.09662	2.5
171.10519	1.5
172.07576	2.2
174.09178	2.8
174.12813	2.9
177.05478	8.1
181.08815	2.7
182.09680	2.5
183.09079	1.0
184.11255	6.5
185.07030	1.1
186.09108	5.3
186.12842	1.8
187.09766	2.3
187.10938	1.7
188.10809	1.7
190.08559	1.3
194.09644	1.9
195.09187	2.7
196.09875	9.5
197.08397	1.5
197.10727	3.1
198.09152	1.3
199.08656	1.4
200.07100	2.8
200.10712	2.1
202.08618	13.5
202.12228	7.7
206.08385	20.8
209.07158	1.3
209.10735	2.4
210.11510	2.7
211.08653	1.8
211.12270	9.8
212.10927	5.2
214.08629	11.8
215.09393	9.0
215.11650	2.3
218.08109	2.0
220.09904	5.0
221.10706	11.3
223.08641	6.5
224.09445	8.2
224.17583	1.2
225.10156	1.8
227.08070	6.6
228.10295	1.3
230.11777	10.5
231.11430	1.5
232.09691	7.8
233.10435	3.7
235.11942	1.3
237.10170	3.3
238.10995	8.8
239.08183	1.9
239.11797	30.4
240.10120	5.3
241.09711	2.8
243.11385	1.6
248.12811	2.7
253.13084	1.0
254.10551	2.1
255.11453	1.7
257.12839	9.5
258.11218	17.2
261.12363	1.5
267.11270	56.7
268.11877	1.6
272.11542	4.1
275.13882	6.7
276.12274	25.2
285.12329	100.0
286.10358	7.4
288.57568	1.1
303.13373	72.0
304.11588	11.7
304.62698	1.2
321.10922	2.0
321.14462	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	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53148	0.6
53.03920	0.6
67.05505	8.9
69.03429	9.6
70.06592	0.9
70.12740	1.1
70.13106	2.9
77.03938	0.8
79.05489	0.7
89.03915	2.2
91.05473	1.6
94.06570	9.2
95.04922	0.8
99.04479	0.6
103.05424	0.8
105.07023	0.9
117.03362	7.9
117.26300	0.6
122.06027	32.3
123.06393	0.8
127.03915	3.8
134.03569	0.6
136.07571	57.6
137.06001	0.8
137.07887	0.7
140.07115	1.2
145.02843	20.8
149.05986	3.4
164.07060	100.0
165.07388	2.8
168.09898	0.6
177.05464	44.5
178.05807	1.6
182.08124	68.0
183.08452	1.8
226.25864	0.7
235.05881	0.6
250.86288	0.6
286.10690	0.8
304.11746	1.3
321.09595	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	321.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52750	1.1
50.55508	1.3
53.03947	1.3
67.05500	12.2
69.03429	17.2
70.01494	3.9
70.01893	2.7
70.06586	2.7
86.09713	2.0
89.03895	5.1
91.05457	2.4
93.07024	2.2
94.06570	13.9
95.04962	1.6
96.81924	1.2
97.02820	1.9
109.03003	1.4
117.03385	13.2
122.06026	44.8
127.03935	6.9
134.01596	1.3
134.03596	1.8
135.04431	1.3
136.07571	69.7
137.05960	1.9
140.07004	2.1
145.02847	36.7
149.05968	4.0
154.14174	1.4
164.07063	100.0
165.07368	2.3
177.05460	66.4
178.05809	1.8
182.08128	66.1
233.96396	1.2
279.52469	1.8
286.10654	2.2
303.13239	2.0
304.11743	3.7
308.05710	1.5
321.09763	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	321.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.6
55.05503	7.3
56.05035	4.4
56.96550	2.9
57.03437	33.2
59.50051	2.8
60.04527	4.5
67.05508	4.1
69.03427	18.5
69.07047	3.1
70.06586	34.8
71.01357	33.6
71.04989	61.2
71.13910	5.1
72.08144	13.6
73.02917	50.7
75.04469	4.9
80.05008	5.9
83.01326	4.2
84.04481	10.7
84.08140	17.6
85.02904	87.0
86.09691	10.8
89.06027	29.0
90.45791	3.0
91.05462	4.9
94.06549	3.4
95.01318	19.5
97.02894	32.7
99.00797	5.6
99.04441	5.6
101.02370	10.9
103.03958	14.4
106.06593	3.2
110.06034	10.8
110.07150	9.3
113.02357	32.3
113.46138	3.3
117.03352	8.7
119.04973	4.0
120.08127	11.8
122.06027	4.5
123.04433	4.4
127.03838	5.6
129.10210	4.6
131.03398	18.9
134.05971	4.5
136.07603	6.0
137.05960	7.5
141.01817	48.4
145.02814	17.6
145.04869	3.4
145.08585	100.0
146.06075	4.4
149.05917	4.1
150.05496	13.9
151.97919	3.8
152.07042	4.4
159.02838	10.7
159.06552	4.0
162.05334	3.6
163.09691	5.5
164.07040	3.4
167.45837	2.9
169.04971	7.3
177.05466	36.1
187.09683	16.4
197.04347	3.7
209.98491	5.1
215.05476	10.2
251.99522	12.5
256.49548	3.1
285.09442	3.2
285.12375	4.6
286.10690	12.0
298.00070	4.5
303.10373	4.8
303.13367	12.6
304.11655	4.1
321.11639	11.3
321.14835	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	321.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01867	1.3
55.05503	0.8
56.05015	0.4
57.03442	0.3
61.02914	0.6
63.02388	0.5
65.03943	3.0
67.05509	0.8
68.99787	1.1
69.03429	11.4
69.07066	1.0
69.69832	0.6
69.70241	1.5
70.06599	2.8
71.01355	1.1
71.05000	0.8
72.08143	0.7
72.16648	0.3
79.05513	0.8
81.03415	3.0
81.07057	1.3
82.87004	0.3
83.04980	0.7
84.04503	0.7
84.08138	1.1
85.02919	1.9
86.09716	2.6
87.00829	1.8
89.03906	1.8
91.05482	100.0
92.05815	1.1
93.07049	1.1
94.06571	0.6
95.04958	0.7
95.08623	0.4
97.02889	1.6
97.06533	0.7
99.04464	1.4
103.05468	1.2
104.15199	0.3
105.07059	2.3
107.08595	0.9
107.67580	0.3
109.02866	1.9
109.06488	0.6
110.06069	0.3
110.07162	0.7
115.05457	1.6
115.08624	0.4
116.05861	0.4
117.03381	7.4
117.04149	0.5
117.07020	10.3
119.04946	0.9
119.08607	1.0
120.08095	0.9
121.10139	0.4
122.06035	4.9
125.09636	0.5
127.03923	3.9
127.11172	0.6
128.06212	2.7
129.01834	0.4
129.07004	5.8
129.10240	0.7
131.04915	1.0
131.08524	1.7
133.06516	1.2
133.10126	0.8
134.03665	0.8
135.04381	0.6
136.07564	4.0
137.05968	1.0
141.07021	1.2
143.08562	2.8
144.05554	0.3
145.02840	17.8
145.06491	3.8
147.04402	0.4
147.08052	1.2
147.11644	0.4
149.05977	3.0
150.05493	3.0
151.11176	1.0
153.07011	1.9
155.04909	1.5
157.06479	0.8
159.08115	0.4
161.06049	0.5
164.07132	0.9
165.07312	0.4
168.06590	0.8
169.06519	1.2
171.02821	0.3
171.08009	2.3
173.04607	0.6
173.05974	4.1
175.07578	1.3
177.05473	33.2
177.07906	1.0
178.05801	0.7
178.08257	1.4
181.06471	2.3
186.05484	0.4
187.07617	0.9
192.06558	0.4
193.16013	0.4
199.07535	5.7
201.04024	0.4
201.05713	0.4
205.05072	0.4
217.08569	3.6
221.15358	0.8
231.06473	0.5
247.06021	0.6
263.10989	0.3
285.12103	0.4
286.10721	1.0
303.13104	1.1
303.17896	0.6
303.22983	0.4
321.09723	5.1
321.14771	0.8
321.18832	9.8
321.24478	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	320.1855
Annotation	Coronatine
Peak:m/z	Relative Intensity
51.02361	0.9
54.47847	0.7
55.01858	3.0
55.05503	1.4
56.05014	1.8
58.06615	0.9
58.65865	0.7
61.01116	0.7
67.05492	3.4
69.03438	4.7
69.07060	10.3
69.29156	7.5
70.06593	7.9
71.04968	1.3
72.08141	3.5
74.02438	0.9
74.06094	0.8
79.05491	4.2
81.03419	2.2
81.07059	1.1
83.04976	2.4
84.04486	1.9
84.08143	6.5
86.09703	100.0
87.10020	1.6
91.05479	22.5
93.07051	3.9
94.06568	0.9
95.04954	1.9
95.08609	0.9
97.06558	1.5
103.05449	2.0
105.07027	21.6
107.04935	3.4
107.08628	1.3
110.07147	2.2
112.08678	0.9
115.05444	1.8
116.07023	0.9
117.03365	1.8
117.07017	9.6
118.06535	1.3
119.05008	1.4
119.08583	18.7
120.08099	28.0
120.08953	1.5
121.06508	1.7
121.08453	0.8
121.10058	1.1
122.06020	1.0
123.04380	1.0
124.07590	0.9
127.03931	1.4
128.06224	10.9
128.10686	3.7
129.07010	9.1
129.10213	2.9
130.06516	0.9
130.08626	1.0
131.08560	1.6
132.04547	0.9
132.05687	1.7
132.10194	21.6
133.06516	2.0
133.10107	5.6
135.04408	1.1
136.07530	1.5
137.05968	2.1
143.08562	19.0
143.09499	0.7
145.02849	4.9
145.06490	5.8
145.10074	5.0
146.05989	1.4
147.08038	72.8
149.05971	1.1
152.07065	1.1
155.05962	1.0
161.09616	19.2
163.11176	3.4
164.07059	0.8
171.08040	11.3
173.07111	3.8
174.07469	6.6
177.05476	8.6
177.07863	0.8
177.10217	10.0
189.09099	16.8
205.09731	2.4
206.11772	3.0
218.11684	1.3
256.16959	6.3
263.10477	0.8
274.18015	36.8
275.18204	1.0
299.72571	0.7
302.08630	1.0
302.12042	1.6
302.17517	9.2
320.09805	1.6
320.15079	1.4
320.18552	13.4
320.22305	0.8
321.09784	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	318.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62191	0.5
55.05514	10.3
56.05035	1.9
57.05817	1.3
60.04527	22.7
62.10860	0.5
68.05019	0.8
68.30852	0.5
69.07062	0.7
70.02952	0.7
70.06596	4.8
71.51076	0.8
72.08154	100.0
74.06075	1.2
76.02232	0.6
81.07095	0.7
84.04500	2.0
84.08155	5.6
86.09707	35.2
87.05598	3.1
91.05482	2.4
95.05038	0.7
98.09698	0.8
110.07173	1.3
110.09701	1.1
111.09225	1.8
114.09188	2.8
119.04957	0.7
119.08603	1.8
120.08108	4.2
123.04403	1.0
128.10696	1.1
129.10278	2.2
132.10199	18.7
133.02829	0.6
136.07571	1.9
137.06017	4.9
137.09663	1.1
141.10231	1.4
150.05537	1.2
151.05923	0.6
152.07062	0.8
159.11292	28.8
169.09799	0.8
173.12869	12.6
173.14299	0.9
176.72112	0.5
177.05519	0.7
178.05051	0.6
179.10744	1.6
180.59572	0.5
187.10777	24.5
187.14285	2.5
201.12312	4.1
205.11874	1.4
214.29283	0.5
219.13403	31.3
262.09409	0.6
272.11169	2.2
287.11206	1.9
290.11823	0.6
300.10742	1.4
300.19260	1.1
301.11783	1.3
318.07407	0.6
318.11826	1.6
318.15527	1.1
318.20300	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	318.3
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05511	4.5
56.05036	9.1
57.03409	0.9
57.07080	5.3
58.06593	1.6
60.04526	100.0
60.08009	0.6
61.04861	0.8
67.05505	3.2
69.07073	4.6
70.06599	1.0
70.96297	1.5
71.08624	3.2
72.04527	1.3
74.06077	4.3
79.05502	1.6
81.07070	3.5
82.06583	1.0
83.04989	1.0
83.08617	3.2
85.10189	1.3
86.06073	1.8
88.07618	10.2
90.05598	0.8
93.07053	1.8
95.08616	2.8
97.06557	0.6
97.10188	1.0
107.08610	0.7
109.10190	1.4
111.11762	0.7
118.08674	2.2
122.08214	1.5
136.13153	0.7
155.74365	0.7
158.35033	0.6
191.81822	0.6
210.28729	0.7
230.80664	0.7
252.27011	1.2
254.28458	0.9
264.26855	2.5
265.25198	0.7
270.27917	12.3
282.27924	16.2
296.02652	0.7
300.28973	19.5
318.30017	66.5
319.30386	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	318.1811
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
55.05492	0.6
60.04513	0.7
64.58270	0.7
65.03955	0.7
67.05515	0.7
69.07075	1.8
69.88808	3.0
70.06589	2.5
72.08148	3.0
74.02431	1.2
79.05485	0.9
81.07038	0.9
84.04486	1.4
84.08138	5.4
85.72829	0.6
86.09704	100.0
87.10045	2.0
91.05483	1.4
103.05482	1.4
110.06041	0.8
110.07169	0.7
113.10783	1.5
115.05442	1.4
115.46422	0.6
117.07027	1.1
118.06551	6.9
120.08112	8.2
122.06031	1.5
126.09164	1.5
128.10701	1.8
129.10239	4.0
130.05005	0.6
130.06540	5.7
130.08652	1.1
131.42096	0.6
132.08090	12.5
137.05989	3.7
138.09189	1.1
139.70171	0.7
141.10196	5.6
142.06493	1.6
143.07353	0.9
144.08081	12.2
146.06003	30.2
150.05566	0.8
157.13376	0.7
158.08342	0.7
159.09172	20.6
160.07635	1.4
166.05002	1.8
167.34787	0.6
170.05992	5.7
187.08736	1.5
188.07063	68.6
189.07500	1.3
191.11836	1.2
194.04523	1.5
197.14528	0.6
205.09718	51.6
206.10017	1.0
225.10126	1.0
227.11855	1.1
255.11287	1.1
270.10040	0.8
272.11557	2.4
272.17633	1.3
273.12436	2.6
273.15823	1.1
283.10855	1.4
287.10983	1.3
300.10461	0.7
300.16663	1.1
301.11908	6.6
301.15579	8.8
318.06955	1.9
318.10892	0.7
318.15076	1.0
318.18250	12.2
319.12906	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	318.2021
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05509	9.3
56.05037	2.5
57.05804	1.5
60.04520	22.8
61.97324	0.9
63.23765	0.8
69.07059	1.1
70.02943	1.4
70.06608	7.3
70.11024	1.8
70.11420	2.1
70.62272	0.9
72.08153	100.0
74.06086	1.6
84.04513	3.0
84.08147	6.1
86.09705	45.2
87.05597	7.9
91.05479	2.5
95.70080	0.8
96.08139	1.7
101.07141	0.9
103.05423	1.2
110.07159	3.9
111.04377	1.1
111.09162	1.0
114.09170	8.0
116.07088	1.3
118.08705	1.6
119.04959	1.0
120.08100	5.4
122.06079	1.0
123.04474	1.7
128.10710	1.8
129.10245	4.1
132.10181	17.3
136.07549	2.0
137.05989	5.8
141.10251	1.8
150.05536	1.1
159.11284	54.8
162.33672	0.9
166.05905	1.2
173.12851	20.1
187.10765	30.3
187.14407	5.4
201.12320	8.0
201.16962	1.0
205.11880	2.8
215.13873	1.4
219.13390	24.8
272.11130	1.3
300.10638	1.4
300.19458	1.3
301.11862	1.6
318.15283	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	318.1809
Annotation	Trp Leu
Peak:m/z	Relative Intensity
52.99947	0.3
55.01865	0.8
55.05518	0.4
56.05014	0.6
57.03430	0.5
57.07071	0.6
60.21599	0.3
67.05487	0.8
68.05788	0.3
69.07054	1.3
70.06593	2.2
71.51034	0.6
72.08161	1.6
73.02972	0.3
74.02436	6.1
74.45023	0.3
79.05490	0.8
83.04990	0.4
84.04491	0.6
84.08121	3.1
85.04041	0.4
86.09698	12.0
87.45174	0.3
88.03986	0.7
91.05453	2.2
92.05798	0.9
93.06983	0.4
94.06563	0.7
95.08613	0.4
103.05472	1.0
105.07030	0.7
107.04959	0.5
109.10169	0.5
110.07168	0.6
112.07584	0.8
113.10776	0.8
115.05436	4.5
117.05751	4.6
117.07001	1.9
118.06550	2.9
119.04964	0.9
119.08554	0.4
120.05268	0.6
120.08102	2.7
121.06445	0.4
121.08411	0.3
122.06042	0.7
128.04933	0.5
129.10254	1.6
130.06520	27.1
130.08582	2.9
131.06810	0.4
132.08083	60.0
133.05254	0.5
133.08417	0.9
134.05972	0.4
135.04460	0.8
136.04846	0.4
136.07544	0.8
137.02335	0.9
137.05971	4.6
138.06287	3.2
141.10216	1.4
142.06508	7.7
143.07281	1.2
143.11794	0.4
144.08075	46.8
145.08466	0.6
146.03110	0.4
146.06006	1.9
150.05515	2.8
151.05849	2.5
152.07060	0.5
153.01834	0.8
155.05998	0.5
158.08412	1.0
159.09167	100.0
160.07568	6.6
160.09503	1.8
163.03844	1.5
164.04213	1.4
165.04393	1.5
167.09392	0.4
168.08138	0.5
168.09891	0.4
170.05997	20.9
172.07573	1.2
173.07104	6.3
173.08481	0.6
175.06325	0.9
175.57722	0.3
176.07051	1.4
179.01828	0.3
187.08684	0.9
188.07048	1.4
198.12697	0.5
245.04601	0.3
255.14870	1.4
259.14355	1.2
272.17450	0.5
273.03915	1.3
273.15915	3.0
274.14374	0.6
287.11011	1.1
301.15442	48.3
302.10156	0.4
302.15781	1.5
318.06964	2.0
318.09830	0.4
318.12961	0.6
318.14941	0.6
318.18533	2.6
319.04419	1.9
319.09009	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	318.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	7.9
56.05019	3.6
57.05801	1.4
58.06601	1.2
69.07053	5.0
70.06594	9.8
70.22136	0.9
71.11375	1.1
71.56468	1.5
72.08154	100.0
73.08498	1.0
74.85631	1.1
76.03970	1.0
80.05004	1.3
80.23546	1.0
81.03431	1.5
84.04501	46.2
84.08144	13.0
85.08466	1.4
86.09702	55.6
87.10032	1.8
88.03954	1.0
90.05552	34.3
91.05446	1.6
96.04460	1.1
102.05538	22.7
106.37381	1.1
110.06039	2.2
110.07146	2.3
110.09671	1.4
111.04416	1.4
116.14969	1.0
119.86434	0.9
120.04443	1.5
121.06511	3.7
123.04359	1.5
129.10240	7.2
130.05045	1.4
130.08548	1.3
130.10565	1.4
134.04468	3.2
137.05956	5.3
138.05496	8.4
138.06439	1.5
138.09138	10.1
139.03897	3.6
143.11758	1.8
152.05673	8.0
152.06950	2.0
153.05382	1.8
153.06445	14.9
154.08618	0.9
155.08101	1.5
155.11786	2.4
156.06529	2.7
156.10184	6.8
157.13383	9.0
161.12698	1.3
166.05023	1.2
183.11287	41.8
185.12837	7.0
187.07129	5.1
189.12340	1.6
201.08698	8.6
201.12332	38.7
205.08197	6.1
211.10767	13.5
215.13878	4.8
219.09685	2.7
229.11830	15.5
243.13365	3.3
256.15909	1.1
285.10767	4.8
287.11142	1.8
294.73157	1.0
300.15509	2.1
318.22217	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01864	0.7
55.05491	1.2
56.05032	1.2
57.03426	1.3
57.07085	0.4
60.04264	0.4
60.04523	4.3
61.02912	1.1
67.05490	1.1
69.03434	3.9
69.07078	2.2
69.42792	2.0
69.43211	1.4
70.06590	5.0
71.05002	0.5
72.08155	8.0
73.02882	0.5
74.06084	0.7
76.17072	0.3
79.05481	0.8
80.04987	0.5
81.03406	1.4
81.07049	0.8
82.02907	0.4
82.06568	1.0
83.05015	0.5
83.08609	0.7
84.04498	1.5
84.08138	5.9
85.02901	6.4
86.09703	16.2
87.04457	0.6
87.05598	1.2
88.03955	0.6
91.03920	0.5
91.05486	2.5
93.07027	1.7
94.06547	0.7
95.04971	0.9
95.08587	1.6
96.04479	2.8
96.08124	2.2
97.02880	3.2
97.05253	2.1
97.06527	1.1
98.21467	0.7
99.04416	0.6
100.07608	0.9
103.05479	0.4
106.06549	0.4
109.02854	1.0
109.06500	0.7
110.06026	5.7
110.07147	1.4
110.09679	3.7
111.08066	0.7
114.09170	1.0
116.07069	1.0
119.04973	1.8
120.08099	4.4
121.06499	1.4
122.06013	0.5
123.04407	2.6
125.08337	0.9
126.09148	9.1
127.03930	1.1
127.08733	0.5
128.10713	0.9
129.10248	3.8
132.00484	0.4
132.10211	0.7
133.02890	0.5
133.19165	0.4
134.08150	1.0
135.04442	0.6
136.07576	1.4
137.05972	6.3
138.06335	0.6
138.09134	20.2
139.07571	0.9
143.11739	0.4
145.04890	0.7
147.04466	0.8
150.05534	0.8
151.05858	0.7
152.10646	0.7
156.10193	100.0
157.10564	2.2
157.13364	1.5
159.11293	5.5
165.05415	2.0
168.10199	1.3
173.12878	5.5
175.11977	0.5
180.10196	1.1
185.12865	0.9
187.10759	1.9
198.11287	1.2
201.12306	1.9
205.11874	0.7
228.15802	0.4
232.26099	0.4
258.08383	0.5
273.03943	1.0
283.29080	0.4
287.10992	1.2
301.07422	0.4
301.11301	0.7
314.41034	0.4
318.15704	2.4
318.21643	0.4
319.12851	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	318.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40861	1.6
55.05509	4.0
56.05024	2.6
57.03425	4.4
60.04514	1.6
69.03439	3.1
69.07051	4.7
70.04067	4.9
70.06596	10.8
71.02477	2.3
71.04862	2.3
71.50005	2.7
72.05627	3.0
72.08152	40.8
73.02919	3.6
74.06065	1.5
84.04504	13.9
84.08146	11.6
85.02895	5.0
85.04015	1.6
85.08498	2.5
86.09703	100.0
88.04012	1.4
89.03487	3.2
91.05465	1.6
94.06614	1.8
96.04352	1.3
97.02884	2.2
97.05128	2.6
98.03547	14.4
98.05929	2.7
99.04318	2.2
100.05106	3.5
102.05544	12.9
107.04926	2.2
108.04382	1.8
109.05142	2.1
110.06060	3.4
110.07167	4.3
111.04429	1.6
115.03907	2.1
115.06182	8.4
118.08653	3.5
120.22485	1.4
124.03810	3.5
125.04628	4.3
125.06971	29.8
126.05381	9.5
126.07774	6.6
127.06115	1.7
129.10220	2.6
130.04997	5.0
133.04941	2.8
136.06165	14.0
137.04591	2.6
137.05956	3.3
138.05478	5.6
141.04010	4.3
141.06459	7.0
143.05629	18.3
143.11784	2.7
144.12134	2.2
147.07619	2.0
148.06070	6.4
150.05475	2.1
151.05930	1.8
152.05710	2.1
152.06998	4.0
153.06448	20.9
154.07207	13.4
155.08185	3.8
156.06487	2.0
156.07626	2.0
157.13341	11.0
158.06734	2.1
169.05966	3.7
170.04369	1.8
170.47667	1.5
171.11322	2.6
171.14877	3.9
173.09209	9.3
177.08817	2.2
182.06758	2.5
183.11240	1.3
185.12907	2.5
185.16469	19.3
186.06261	12.7
186.35732	1.5
196.08267	1.8
199.14522	1.5
201.08713	5.2
205.08235	5.9
205.11751	1.6
211.07150	1.9
213.15988	8.1
229.11935	2.1
230.47076	1.6
231.08517	1.9
257.11172	3.3
275.09830	2.6
277.44492	1.6
285.10684	4.1
287.10910	2.5
294.76599	1.4
318.10910	2.3
318.15253	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	317.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86712	2.0
53.03928	2.5
55.01862	11.6
55.05508	18.7
56.96550	3.2
57.03426	1.9
57.07061	7.1
65.03933	6.1
67.05139	2.6
67.05504	74.9
69.03410	6.3
69.07069	21.5
70.06577	6.1
71.04990	100.0
71.51489	2.8
72.08146	2.6
79.05490	55.9
80.05000	6.3
81.03423	4.5
81.07055	99.0
83.04963	3.0
83.08627	12.4
84.08126	6.6
85.02869	3.5
85.06542	11.5
86.09669	7.7
91.05480	30.5
93.07036	67.5
94.06550	8.4
95.04961	6.6
95.08604	66.8
97.05928	3.2
97.06527	40.7
97.10157	5.9
99.04488	1.9
99.08041	2.2
105.07021	17.1
107.04942	8.1
107.07889	2.9
107.08585	38.5
109.02843	3.5
109.06510	4.3
109.10153	32.5
111.04433	3.6
111.08077	9.9
113.02604	1.8
119.04919	6.3
119.08587	17.8
120.04436	3.5
120.08104	4.1
121.02883	3.6
121.06529	5.0
121.10143	75.4
122.06064	14.8
123.04426	6.3
123.08047	2.6
123.11715	20.4
125.09631	2.6
129.07018	2.0
129.09113	5.5
129.10187	2.9
131.08521	2.2
132.04393	3.6
133.10109	17.7
135.04375	4.9
135.10715	3.4
135.11685	45.1
137.02370	2.6
137.05977	22.7
137.09615	3.7
137.13237	6.2
139.11157	2.5
143.08525	2.7
145.10133	2.5
147.04405	3.0
147.11656	9.6
149.09547	2.3
149.13266	17.4
150.05486	29.4
151.06352	3.6
151.11147	2.7
152.07021	5.1
153.01878	2.7
155.08556	3.1
157.10085	2.0
159.11655	3.0
161.13226	9.7
163.14841	9.4
173.13220	3.5
175.14835	4.3
177.16411	2.2
183.08029	4.7
187.11153	2.3
189.16232	2.9
199.16966	3.1
211.07513	6.4
213.18538	5.1
223.06027	2.0
229.04965	2.8
229.08578	7.3
237.22122	2.4
243.06604	3.2
245.22610	7.9
257.04391	19.4
257.08029	16.2
263.23700	34.7
271.05939	2.0
274.04633	3.0
275.54086	1.9
281.24753	34.8
286.10754	37.7
287.11099	2.9
299.09521	4.2
299.20032	3.7
300.08469	4.0
302.04089	2.4
317.06567	42.2
317.10965	5.7
317.14899	47.8
317.20981	13.2
318.06924	3.2
318.14752	4.9
330.08325	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	317.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05433	1.0
58.48339	1.2
65.60221	1.0
70.06579	1.6
70.62984	1.0
71.52988	1.7
78.95644	5.6
82.59467	1.0
94.93008	47.0
109.91704	2.6
112.08730	1.1
136.94016	4.1
152.91991	3.3
154.39122	1.0
176.87474	1.3
180.90474	2.8
188.89621	27.4
196.86633	4.9
196.87807	11.1
198.87576	1.3
204.87025	22.0
208.88667	24.0
234.86545	4.2
244.86287	1.8
262.86063	100.0
263.86255	10.7
271.07550	1.3
288.84171	1.4
290.85391	2.3
298.82260	1.9
298.97565	1.4
316.83423	3.9
317.19180	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	317.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06481	18.0
76.92263	4.5
78.95619	4.4
81.35873	4.3
94.93014	35.4
96.92793	4.9
120.64245	4.8
136.94046	6.5
137.95703	3.6
153.87872	4.4
180.90411	18.1
182.90311	4.8
188.89635	21.0
196.87961	34.4
204.87050	15.5
208.88646	21.5
234.86610	4.8
234.92087	7.0
262.86063	100.0
263.86166	7.8
316.18829	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	317.1019
Annotation	Pendulone
Peak:m/z	Relative Intensity
53.03942	0.7
53.24231	0.5
55.01867	4.1
55.05504	0.8
65.03914	0.8
67.01875	0.7
67.05503	13.1
68.99796	0.9
69.03418	1.3
69.07069	1.6
70.06572	0.9
71.51610	0.5
72.08151	0.5
72.77351	0.4
78.67735	0.5
79.05501	3.4
80.05004	1.3
81.03452	0.8
81.07050	2.9
83.04977	0.5
84.08144	0.8
85.02908	0.6
86.09706	1.3
88.13096	0.4
91.05476	3.3
92.65939	0.5
93.07033	2.1
94.06554	1.4
95.04964	9.7
95.08601	1.9
97.02895	0.4
97.06506	0.8
99.04475	1.1
99.91625	0.4
103.05446	1.2
105.07014	3.5
105.28467	0.4
107.04954	10.9
107.08601	2.0
109.02891	0.6
109.06502	1.1
109.10145	1.4
110.06078	0.6
111.04440	0.8
111.08036	0.6
119.04933	1.4
119.08575	1.9
120.08118	0.9
121.02890	0.5
121.06528	2.2
121.10174	1.2
122.06038	3.1
123.04422	100.0
123.08036	1.1
124.04747	1.3
125.02343	1.3
125.05991	0.7
129.06989	0.5
129.10272	0.7
131.04941	1.1
131.08519	0.6
131.67389	0.4
132.04442	1.0
133.06517	2.2
133.10081	0.9
135.04398	1.3
135.08049	0.7
135.11626	0.8
136.07565	0.5
137.02385	0.9
137.05975	4.6
137.09650	1.0
139.03841	0.7
139.07553	0.9
141.05453	5.5
145.06425	0.5
145.10135	0.9
147.04436	2.1
147.11647	0.5
148.05228	0.5
149.05960	2.2
149.13225	1.3
150.05521	4.5
151.03932	0.7
151.06310	0.9
151.07513	4.8
152.07143	0.5
153.05486	1.5
157.10117	0.7
159.04401	0.7
159.08150	0.4
159.11699	1.1
160.05133	1.0
161.13211	0.8
163.03886	0.8
165.05457	1.2
165.06911	0.7
166.04977	0.6
167.03392	7.1
167.07053	4.4
167.08316	0.7
169.04973	0.4
171.11775	0.6
173.05965	4.2
173.09753	0.6
173.13217	0.5
177.05486	4.2
177.12746	0.4
179.03278	0.6
179.07069	1.1
180.04175	0.5
181.04924	0.5
183.08061	1.0
185.04469	1.0
193.04918	2.9
194.02155	0.5
195.06522	41.4
196.06870	1.0
197.06073	0.5
199.07545	0.6
201.05450	2.5
207.06512	41.5
208.06921	1.1
211.05833	2.6
211.07599	1.8
213.05542	0.5
221.01704	0.5
223.06038	3.0
228.04346	0.5
229.08659	1.3
239.07028	1.0
243.06538	1.4
245.08243	0.5
256.09723	0.5
257.08105	3.0
274.04654	1.0
286.10687	7.0
299.09125	80.6
300.09586	2.8
302.04080	1.1
317.06494	13.7
317.10205	26.6
317.14871	9.0
317.21039	1.9
317.24545	0.6
317.28244	0.6
318.06952	1.3
318.10400	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	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01866	0.1
55.96609	0.1
58.18746	0.1
63.02374	0.1
63.29373	0.1
64.03176	0.1
65.03941	0.7
67.01864	0.1
67.05496	0.2
68.99772	0.5
69.03419	0.1
69.47985	0.2
69.48392	0.6
70.06576	0.2
72.74998	0.1
73.78638	0.1
78.04722	0.1
80.05002	0.2
81.03413	0.1
81.07050	0.1
83.04973	0.1
84.08129	0.2
85.58013	0.1
86.09693	0.2
91.05467	0.4
92.02613	3.7
93.03403	2.8
94.04174	0.2
94.06573	0.1
95.01338	0.1
95.04965	0.2
95.08624	0.2
98.21509	0.1
103.05416	0.1
105.03383	0.2
105.06976	0.2
107.04933	0.2
107.08596	0.1
108.08047	0.1
109.02870	0.3
109.06553	0.1
109.10133	0.1
111.00799	0.4
115.05463	0.1
117.07011	0.2
119.08603	0.1
120.02074	0.3
120.04387	0.1
121.02009	0.2
121.02849	2.4
121.03724	0.1
121.06528	0.2
122.03658	0.2
122.06016	0.4
123.04389	0.2
124.01567	0.2
126.03127	1.2
127.03893	0.1
129.06935	0.1
131.04897	0.2
133.02812	0.2
135.04402	0.4
137.02321	0.6
137.05934	0.5
139.03908	1.5
139.04958	0.2
142.58536	0.1
145.06461	0.2
147.04381	0.3
148.03943	0.1
148.05229	0.1
149.02335	0.1
149.06009	0.2
150.03122	0.2
150.05499	0.6
151.03885	1.3
151.04999	0.2
151.06216	0.2
152.00993	0.2
152.07082	0.3
153.01813	18.7
154.02184	0.2
154.08496	0.1
155.04889	0.3
161.05972	0.2
163.03876	0.5
164.04436	0.1
165.01816	1.0
166.02597	0.3
166.08559	0.2
170.02191	0.2
172.05243	0.1
173.05971	0.4
176.04640	0.1
177.05449	0.5
179.03387	0.4
183.02873	0.4
183.04410	0.5
187.03911	0.4
189.05434	0.3
190.06262	0.3
191.03407	0.2
193.01289	0.1
200.04695	0.8
201.05450	2.0
203.03372	1.9
204.04153	0.3
211.03905	0.2
211.07468	0.2
213.05363	0.2
217.04950	3.2
218.02205	0.2
218.05701	1.3
219.02914	0.7
228.04163	3.7
229.04942	7.8
230.05362	0.1
231.02867	1.1
232.03548	0.3
233.04526	0.2
234.01797	0.1
239.03499	0.2
243.06564	0.2
244.09692	0.3
245.04433	3.9
246.05208	3.4
246.07817	0.1
253.09798	0.2
256.03787	0.6
257.04431	4.8
257.08041	0.4
258.04996	0.2
260.03152	0.9
260.91464	0.1
261.07547	0.5
267.02963	0.2
271.06030	0.4
271.10587	0.2
273.03909	3.8
274.04703	6.7
275.05017	0.2
281.09174	0.3
284.03189	0.9
285.03906	7.6
286.04547	0.4
286.10709	1.0
287.01831	0.2
288.06183	0.4
299.10318	0.7
299.13367	0.1
301.03406	0.6
302.04181	22.3
303.04568	0.4
317.06522	100.0
318.06882	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	317.0653
Annotation	Milimorin
Peak:m/z	Relative Intensity
51.94087	0.4
55.01870	0.6
55.05504	0.6
57.07072	0.3
59.63523	0.3
63.55574	0.3
65.03930	0.8
67.05487	1.3
68.99791	0.5
69.03421	0.4
69.07052	1.3
70.06593	0.3
70.09523	0.4
70.25359	1.2
79.05478	1.3
80.04990	1.1
81.03426	0.4
81.07056	2.9
83.08635	0.6
86.09670	0.5
91.05477	1.7
92.02627	2.9
93.03374	2.6
93.07030	1.3
94.06567	1.2
95.04951	0.7
95.08594	0.9
97.06525	0.7
98.97594	1.0
105.07011	1.5
107.04948	1.5
107.08598	1.7
109.02885	0.7
109.06521	0.6
109.10132	0.9
111.04459	0.5
116.98619	0.4
117.07040	0.5
119.04923	0.5
119.08574	1.3
121.02837	2.0
121.06503	0.7
121.10130	0.7
122.03667	0.4
122.06017	2.2
123.04378	0.7
123.11695	0.6
124.01595	0.3
126.03111	0.7
129.10205	0.3
132.04404	0.4
133.02837	0.4
133.06386	0.4
133.10124	1.1
133.25424	0.3
135.04390	0.6
135.11679	0.8
137.02348	1.0
137.05971	2.8
137.09552	0.3
139.03894	1.2
143.08548	0.5
145.10088	0.4
147.04379	0.7
147.11722	0.7
148.05196	0.3
149.09538	0.4
149.39989	0.3
150.05507	3.4
151.03877	1.4
151.06339	0.5
152.07065	0.7
153.01822	13.6
157.10170	0.4
159.11687	0.5
161.05927	0.4
163.03955	0.5
165.01770	0.7
166.02525	0.4
166.08597	0.3
167.03333	0.8
171.11812	0.4
173.06068	0.3
175.08687	0.4
175.14793	0.4
177.05582	0.3
179.03352	0.4
181.04968	0.7
183.02892	0.5
183.08037	0.7
189.05469	0.5
191.02179	0.4
200.04640	0.8
201.05457	2.0
203.03323	1.5
211.07558	1.4
217.04932	3.0
218.05724	1.1
219.02855	0.6
228.04225	3.3
229.04953	6.7
229.08633	1.0
231.02829	1.0
239.07051	0.6
243.06482	0.7
245.04469	3.5
246.05244	3.2
257.04468	4.4
257.07935	2.0
260.03091	0.5
261.07635	0.6
269.10684	0.5
271.06018	0.7
271.10602	0.5
273.03934	3.1
274.04694	6.7
284.03110	0.9
285.03943	7.1
286.10767	5.3
299.09354	0.4
299.20050	0.7
300.08676	0.5
301.03445	0.6
302.04187	20.6
317.06540	100.0
317.20941	1.9
317.24741	0.6
318.06958	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05513	3.4
56.05038	3.0
57.07082	1.2
60.04525	100.0
67.05500	8.1
68.05012	0.7
69.07067	5.6
70.27335	0.7
71.08623	0.7
71.31548	0.7
71.79402	0.6
72.04514	1.9
73.02922	0.7
74.06089	2.6
79.05507	2.7
81.07053	7.2
82.06575	1.2
83.08601	3.6
84.08143	0.6
85.10166	0.7
90.05586	1.6
91.05489	2.3
93.07035	3.0
95.08599	7.1
97.10163	1.6
105.07005	1.5
107.08560	1.2
109.10155	2.5
111.11688	0.7
119.08627	1.2
119.38007	0.7
121.10136	1.3
123.11739	1.0
133.10135	0.8
135.11685	0.9
137.13243	1.0
147.11688	0.6
250.25398	1.4
262.25293	2.0
268.26505	1.0
280.26328	11.3
298.27417	14.2
316.28448	39.1
317.28848	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	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.05511	4.5
55.78824	0.4
56.05032	4.3
57.03438	1.0
57.07076	1.7
60.04522	100.0
61.04856	0.5
67.05139	0.5
67.05502	9.9
68.05024	0.5
69.07066	4.5
70.06594	1.2
70.76904	1.2
71.08643	0.8
72.04520	1.7
73.02914	0.7
74.06071	2.0
79.05481	3.4
80.05019	1.2
81.07050	8.3
82.06575	0.9
83.04977	0.7
83.08617	2.7
84.08177	0.4
84.46213	0.4
85.10192	0.4
86.06051	0.7
87.04457	2.2
90.05566	1.7
91.05457	2.4
93.07040	3.2
94.06596	0.4
95.04967	1.2
95.08601	7.6
97.06520	0.5
97.10166	1.3
102.05555	0.5
105.07031	1.3
107.08589	1.8
109.06557	0.5
109.10152	4.5
111.08101	0.6
111.11733	0.6
112.07605	0.5
116.07094	0.7
119.05098	0.4
119.08571	2.5
121.10162	1.4
123.08057	1.0
123.11714	1.2
133.10126	1.3
135.11674	0.5
137.09612	1.4
137.23776	0.4
147.11670	0.7
151.07544	1.2
151.14874	0.4
155.59012	0.4
175.11359	0.5
183.08322	0.4
189.12866	0.5
201.86713	0.4
206.85129	0.4
250.25337	1.4
256.26541	1.0
262.25229	1.9
268.26373	0.8
280.26355	11.8
281.26730	0.6
286.10883	0.5
298.27390	11.0
299.27823	1.0
316.28439	35.6
317.06592	1.2
317.21097	1.6
317.28741	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	316.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
55.05508	0.7
56.05031	1.4
58.06599	0.6
60.04523	5.6
61.01160	0.3
64.84299	0.3
69.07065	7.3
69.59335	2.4
70.02958	0.5
70.06586	59.3
71.06916	0.8
72.08150	5.1
73.08501	0.4
74.06067	1.5
82.46357	0.3
83.06100	0.5
83.43376	0.3
84.04514	2.1
84.08140	6.6
85.02875	0.4
85.08470	0.5
86.09698	100.0
87.05592	1.5
87.10030	1.3
88.03986	0.7
91.05454	0.8
98.21481	0.7
102.05529	0.8
103.45484	0.3
109.06522	0.4
110.07168	0.8
112.08708	0.6
114.09117	0.4
115.08655	0.4
116.07085	11.5
119.04966	0.5
120.08060	0.6
122.06007	0.7
123.04411	0.7
125.07121	0.3
128.10735	0.8
129.10220	4.7
130.04971	0.5
130.06541	0.6
132.10149	0.7
135.04353	0.6
136.07617	0.5
136.18552	0.3
137.05933	1.6
143.11761	0.5
146.05968	0.4
150.05565	1.6
151.06192	0.4
157.09726	5.9
158.10103	0.4
163.03839	0.5
166.05078	0.5
166.08623	0.5
167.08141	0.7
173.12852	6.2
185.09193	5.9
187.96190	0.3
188.07074	0.4
199.18042	24.7
200.13962	0.4
200.18251	0.4
200.21875	0.4
201.12276	1.7
203.10239	0.3
203.13893	4.0
211.07399	0.5
219.13441	2.3
227.15456	0.4
227.17537	7.4
229.08601	0.4
229.15477	4.8
230.15775	0.4
257.08038	0.7
286.10648	1.0
288.08832	0.4
299.13525	0.4
316.11624	0.4
316.18533	3.9
317.06430	1.5
317.11282	0.5
317.14786	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	316.2231
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
50.39015	0.4
53.03931	0.4
55.01867	0.3
55.05506	1.7
56.05029	0.8
56.96557	0.5
57.05818	0.5
60.04524	1.7
65.78684	0.4
69.03427	0.9
69.07066	5.1
70.06588	6.7
70.10654	0.6
70.11050	1.2
72.08153	22.5
74.06087	0.6
80.05015	0.5
81.03426	0.7
81.07018	0.4
82.06554	0.5
84.04514	2.5
84.08139	4.4
85.02912	0.7
86.09704	100.0
87.05593	0.7
87.10043	1.9
88.03972	0.6
90.05595	0.4
91.05467	1.2
96.08147	0.5
98.20895	0.5
102.05521	0.6
105.03379	0.6
105.56521	0.4
107.04964	0.8
108.08115	2.3
109.06522	0.4
110.06047	0.4
110.07156	1.1
115.08705	0.4
116.07095	8.6
119.04969	0.6
120.08086	0.7
122.02716	0.7
122.06072	0.6
123.04400	1.1
123.08070	0.4
124.07601	2.0
128.10724	0.6
128.98627	0.7
129.10248	2.3
130.05074	0.4
130.06532	1.4
130.71931	0.3
132.08102	0.8
135.04401	0.9
135.08101	0.4
136.07587	1.6
137.02338	0.4
137.05983	2.2
137.09477	0.4
138.06400	0.8
138.09145	0.4
146.05992	1.2
146.99620	0.6
147.04425	0.4
150.05536	1.6
154.08618	9.3
155.09007	0.5
163.03938	0.9
164.07130	0.4
165.05536	0.5
166.08672	0.4
170.06006	0.7
171.14919	6.0
171.18602	0.5
173.12877	4.3
177.09116	0.7
183.08058	0.4
188.07082	1.1
195.10208	1.0
197.01265	1.1
199.14435	3.5
199.18053	23.9
200.18309	0.6
201.12389	1.1
203.13913	7.4
205.09845	0.4
211.07524	0.5
215.02287	1.0
217.15575	0.6
225.10269	0.5
227.17542	8.5
250.03893	1.0
253.09973	0.5
257.08102	1.4
268.04892	0.7
286.10773	1.3
288.12399	0.5
299.09750	0.5
316.13367	0.6
316.17419	0.6
317.06735	0.9
317.11353	1.2
317.14960	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	316.223
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
52.44660	0.3
55.05506	0.5
56.05032	0.8
57.05805	0.5
63.68735	0.3
67.05492	0.4
69.07064	6.6
69.83818	2.1
70.06594	2.2
72.08144	1.0
79.05482	1.0
81.07034	0.4
84.04495	0.8
84.08158	1.6
86.09705	100.0
87.10013	1.7
89.03925	2.7
91.05482	4.1
93.03388	0.5
94.06584	0.5
95.04968	0.5
98.21469	0.3
102.05559	0.5
105.75456	0.3
107.04948	1.7
107.08613	0.3
109.02892	0.3
109.06531	0.5
113.71533	0.3
117.03386	4.0
119.04940	2.1
120.08141	0.8
122.06060	1.1
129.10217	0.7
132.10190	7.7
135.04417	8.0
136.04886	0.5
137.02393	0.4
137.05975	9.3
140.42055	0.4
145.02841	5.3
147.79649	0.4
150.05504	0.7
151.07556	0.8
152.07053	0.6
153.01831	2.3
154.08621	2.7
157.07590	0.6
157.13367	28.6
158.13708	0.8
163.03902	43.7
164.04214	2.0
166.08566	0.6
167.09479	0.6
185.12851	19.6
186.13205	0.5
187.94948	0.3
199.18094	1.4
203.13925	9.2
229.04938	1.1
239.06934	0.4
245.04497	0.4
257.04419	0.6
257.08084	0.7
274.04803	0.6
285.04092	0.9
286.10840	1.4
302.04236	2.7
316.11929	1.2
316.22278	0.4
317.06561	12.0
317.10873	0.8
317.14682	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	316.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.05016	0.6
60.04512	1.3
60.05639	0.8
67.05460	0.3
67.32373	0.3
68.05007	0.3
69.03416	1.3
69.07079	0.4
69.77514	1.9
70.06213	0.5
70.06593	9.2
72.08147	4.0
74.06063	0.8
80.04987	0.6
81.03417	0.5
84.04494	1.8
84.08144	5.7
85.02909	2.6
86.06064	0.4
86.09697	4.0
88.03979	0.5
90.05555	0.9
91.05479	0.7
92.77917	0.3
97.02858	0.7
97.78125	0.3
99.05598	0.3
100.02187	1.0
102.05505	0.4
107.04930	0.3
108.08112	14.1
109.02861	0.7
110.07117	0.5
112.08725	0.5
114.09167	0.7
114.45124	0.3
116.07086	3.2
118.06606	0.4
119.04948	0.5
120.08095	0.5
121.06467	0.5
122.02718	0.6
122.05989	0.4
123.04420	0.5
124.03943	0.3
127.03854	0.4
127.08624	0.7
129.10236	1.8
130.08643	0.7
132.57297	0.3
135.04396	0.4
136.07567	18.3
137.05992	1.7
145.05005	0.4
147.11383	0.4
149.06003	0.3
150.05484	0.4
152.07033	0.7
153.05418	0.7
154.08621	100.0
155.09061	0.6
157.07689	0.3
158.09241	0.6
163.03880	0.4
164.07013	0.4
166.08606	0.3
170.08151	0.4
173.12788	0.4
175.11937	0.7
177.05408	0.5
183.11198	0.3
185.09192	0.3
187.07193	0.4
201.12346	0.6
203.04802	0.5
203.10379	0.6
213.06876	0.4
217.11833	0.8
240.13622	0.4
257.07935	0.3
299.10568	0.4
316.13760	1.7
316.19882	2.1
317.06561	0.9
317.11450	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	316.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05505	0.4
56.05018	0.4
63.02378	0.4
65.03917	0.5
69.07066	1.3
70.06596	2.4
70.90102	0.7
72.08154	2.7
74.06090	0.4
79.05495	1.4
80.04978	0.2
81.07044	0.3
84.04504	0.9
84.08140	2.3
86.09705	30.4
89.03913	6.8
91.05476	8.8
92.92375	0.3
95.04942	0.5
102.29232	0.3
102.39245	0.2
103.05469	0.3
107.04960	2.2
109.06470	0.3
110.07164	0.7
117.03377	8.6
119.04946	4.5
120.08096	1.0
129.10222	1.3
130.06532	0.4
132.10217	1.0
135.04411	19.3
137.05972	17.6
138.06348	0.5
145.02840	13.8
145.03824	0.5
150.05440	0.4
154.08617	5.2
156.10060	0.3
157.07695	0.5
157.13359	3.2
159.09230	0.3
161.05975	0.3
163.03897	100.0
164.04272	1.9
169.65036	0.3
173.12778	0.6
178.08617	0.3
180.06572	0.3
185.12851	2.5
185.16473	0.7
186.05531	0.4
194.71086	0.3
199.18045	4.2
203.13951	2.1
227.17427	1.2
286.10858	0.4
316.11703	3.1
317.06522	0.8
317.14886	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	316.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05505	0.4
56.05018	0.4
63.02378	0.4
65.03917	0.5
69.07066	1.3
70.06596	2.4
70.90102	0.7
72.08154	2.7
74.06090	0.4
79.05495	1.4
80.04978	0.2
81.07044	0.3
84.04504	0.9
84.08140	2.3
86.09705	30.4
89.03913	6.8
91.05476	8.8
92.92375	0.3
95.04942	0.5
102.29232	0.3
102.39245	0.2
103.05469	0.3
107.04960	2.2
109.06470	0.3
110.07164	0.7
117.03377	8.6
119.04946	4.5
120.08096	1.0
129.10222	1.3
130.06532	0.4
132.10217	1.0
135.04411	19.3
137.05972	17.6
138.06348	0.5
145.02840	13.8
145.03824	0.5
150.05440	0.4
154.08617	5.2
156.10060	0.3
157.07695	0.5
157.13359	3.2
159.09230	0.3
161.05975	0.3
163.03897	100.0
164.04272	1.9
169.65036	0.3
173.12778	0.6
178.08617	0.3
180.06572	0.3
185.12851	2.5
185.16473	0.7
186.05531	0.4
194.71086	0.3
199.18045	4.2
203.13951	2.1
227.17427	1.2
286.10858	0.4
316.11703	3.1
317.06522	0.8
317.14886	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	316.1178
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
53.79781	0.3
54.60406	0.4
55.40948	0.3
59.97599	0.4
70.45697	0.3
70.76876	0.5
70.77230	0.9
72.08130	0.7
79.05494	0.7
89.03905	6.2
91.05482	8.4
98.98227	0.3
107.04937	2.6
117.03378	9.9
117.11971	0.4
119.04948	4.2
127.93309	0.3
128.89244	0.4
135.04414	18.2
137.05975	16.0
145.02847	11.3
145.03868	0.5
154.08632	6.3
163.03899	100.0
164.04225	1.6
180.06598	0.6
192.77570	0.4
305.98093	0.3
316.11807	3.9
317.06497	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	315.2528
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
52.10036	3.2
55.01862	4.6
55.05505	17.6
57.07071	8.4
60.04513	18.7
65.20750	3.1
65.47047	3.3
67.05502	47.8
69.03420	5.6
69.07070	25.2
70.06584	8.4
71.04960	6.0
71.55916	5.9
71.89337	3.2
79.05481	30.6
81.07054	72.3
83.08596	11.3
85.06538	9.4
86.09716	4.5
87.04471	17.1
88.85841	3.6
91.05471	18.6
93.07055	19.9
93.21674	3.6
94.34585	3.6
95.04949	6.3
95.08599	70.6
97.06544	6.0
97.10166	6.2
103.05444	4.1
105.07025	12.4
107.04951	100.0
107.08584	21.5
109.06514	8.3
109.10164	28.6
111.42197	3.4
112.22801	3.7
119.08569	10.2
120.04422	4.4
121.06522	3.8
121.10107	14.4
123.11716	17.2
131.08543	7.9
133.10155	8.1
135.11700	11.2
137.05933	4.9
137.09586	4.8
137.13217	7.1
145.10115	7.7
147.11690	6.5
149.09743	3.7
149.13197	5.3
150.05505	5.5
161.05891	3.9
163.03879	3.5
165.12700	4.7
166.02690	3.3
175.03949	4.5
177.05475	5.5
179.14275	6.6
181.04947	7.0
191.07057	5.8
192.04099	5.2
194.05823	5.6
206.05687	7.7
207.06490	7.3
209.08067	43.2
221.08115	38.0
243.21150	9.9
261.22226	19.4
279.23123	41.1
284.09012	4.6
297.11206	82.3
298.11554	8.6
299.11072	5.8
300.06104	5.0
300.11874	4.8
315.08435	8.5
315.12357	34.7
316.12485	4.1
316.28497	17.6
321.84286	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	315.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01860	0.7
55.05507	0.7
56.05025	1.6
58.06581	0.7
60.04521	1.5
69.03419	1.2
69.72549	3.6
70.06591	12.6
72.08139	3.7
74.06066	1.2
76.02185	0.7
77.36034	0.6
79.05503	0.9
80.05004	0.9
83.06110	1.8
84.04044	0.9
84.04503	7.3
84.08144	11.2
85.02905	1.2
85.04803	0.6
86.09698	4.1
87.05591	0.7
90.05578	0.7
91.05471	3.3
93.07024	2.7
93.17875	0.6
94.06570	0.9
95.04966	0.9
97.02895	6.6
98.03225	3.0
98.20763	0.9
101.07126	0.6
102.05524	1.4
103.05458	2.2
105.07037	0.8
106.06570	2.8
107.04947	12.3
108.08106	1.3
109.02925	0.9
109.06462	0.6
110.07121	1.4
112.08711	0.7
115.08641	0.8
116.07086	2.1
119.04936	0.9
121.06502	44.9
122.06042	1.4
123.04420	1.2
123.05549	1.3
123.06818	0.8
125.10840	0.7
127.08653	0.9
129.06660	0.7
129.10245	6.5
130.04985	2.3
130.08615	0.8
134.06029	4.8
135.04410	15.2
135.05428	0.9
136.04744	0.9
136.06175	13.9
136.07564	18.8
137.05902	5.2
137.06570	3.8
138.06314	2.2
139.08656	0.9
141.10199	0.8
144.06595	0.7
147.11276	0.7
148.07518	0.8
150.05489	2.4
151.06302	0.7
152.07057	100.0
152.10677	19.0
153.05426	1.9
153.07436	3.7
154.04883	0.6
154.08603	1.6
164.07062	67.6
165.07430	1.4
166.05011	1.1
166.08522	0.8
169.09816	0.9
173.12848	0.7
186.08881	0.7
194.04619	1.5
194.08125	39.0
195.08447	2.3
224.07072	0.8
252.06648	1.2
255.09814	1.5
270.07672	0.6
279.07306	0.6
280.05795	0.6
284.08844	1.8
297.08371	0.7
297.11838	0.7
298.07114	1.4
298.10593	2.0
315.09433	3.2
315.13129	5.3
315.20163	0.7
316.13882	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	315.1223
Annotation	CHEBI:70655
Peak:m/z	Relative Intensity
51.02377	0.5
53.03942	2.2
55.01873	2.8
56.33657	0.3
69.54903	2.4
70.06626	0.3
71.48785	0.3
77.03936	0.5
79.05493	12.0
81.03392	0.2
84.08122	0.3
91.05481	2.5
93.07040	0.4
95.04964	4.4
95.08566	0.3
103.05502	0.5
105.04507	0.8
105.07026	1.8
107.04953	100.0
108.05281	1.3
115.05469	0.9
117.07001	0.6
118.04250	0.3
119.04950	1.3
121.06499	1.2
123.08157	0.3
125.05994	0.3
131.04926	2.2
133.06496	2.3
135.08066	0.8
137.06000	0.8
138.03174	0.5
139.07582	0.3
145.02968	0.3
145.06499	1.1
149.06004	0.4
151.07564	1.5
153.05463	0.4
153.09065	0.4
155.07037	3.6
157.06447	0.4
161.05989	1.2
163.03955	0.5
163.07555	0.5
164.04576	0.5
165.05507	1.8
165.09123	1.4
166.02621	2.8
167.07065	0.8
176.04668	0.6
177.05478	2.8
178.06166	1.4
179.07051	1.9
181.04965	5.8
181.08548	3.6
184.03664	2.2
191.03407	0.4
191.07008	2.9
192.04181	1.6
193.04953	0.4
193.08534	0.3
194.05750	8.0
194.07141	0.4
200.39342	0.3
204.07837	0.3
205.04880	0.4
205.06554	0.5
206.05751	6.2
207.06517	8.5
207.08421	0.5
208.07161	0.5
209.08089	50.6
210.08488	1.1
221.08084	45.0
222.08450	0.7
223.07520	0.5
227.11652	0.4
237.09163	0.7
253.08662	0.5
265.08603	1.1
267.06519	0.5
269.11731	0.3
281.08142	1.2
282.08771	1.9
283.09393	0.4
283.46329	0.3
297.11209	86.6
298.11545	3.4
315.12247	44.2
316.12656	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	315.1224
Annotation	CHEBI:70655
Peak:m/z	Relative Intensity
50.85252	0.3
53.03938	1.9
55.01872	2.7
55.05492	0.4
61.27843	0.3
67.05499	0.8
68.99822	0.3
69.03445	0.5
69.07074	0.6
69.61195	0.7
69.61601	2.0
70.06580	1.0
72.08149	0.6
77.03944	0.6
79.05489	11.1
81.03436	0.6
81.07066	0.8
84.04523	0.4
84.08153	0.9
86.06065	0.5
86.09695	1.1
91.05479	2.3
93.07040	0.5
94.94898	0.3
95.04960	3.7
95.08624	0.5
98.20778	0.7
98.97597	0.3
101.23228	0.3
103.05463	0.5
105.04523	1.0
105.07033	2.1
107.04949	100.0
108.05280	1.3
109.02877	0.4
109.06494	0.6
109.10173	0.3
110.07105	0.3
115.05470	0.7
116.10720	0.4
117.06963	0.5
119.04931	0.9
119.08585	0.3
120.04471	0.4
121.06516	1.9
121.10136	0.5
123.08084	0.4
127.07655	0.3
129.10243	0.6
131.04929	2.3
133.06487	2.0
135.08043	0.5
137.05978	1.2
139.07513	0.4
145.06471	0.6
145.10165	0.4
147.04385	0.6
149.05998	0.7
150.05612	0.4
151.07556	2.1
153.05412	0.6
153.09084	0.5
155.07024	3.6
157.06522	0.4
159.04398	0.3
161.05952	2.1
163.03905	1.1
163.07483	0.8
164.04680	0.4
165.05469	1.3
165.09042	1.5
166.02591	2.1
167.03479	0.4
167.05016	0.3
167.07098	0.9
175.04070	0.4
175.07475	0.5
177.05489	3.0
178.06241	1.5
179.06970	1.7
181.04951	5.3
181.06406	0.3
181.08562	3.5
184.03667	3.5
189.05457	0.5
191.03384	0.4
191.07056	2.9
192.02711	0.3
192.04129	2.0
193.04938	0.4
193.08574	0.8
194.05733	7.3
194.07373	0.7
205.04924	1.2
205.06583	0.4
206.05742	5.4
207.06519	8.1
209.08078	48.6
210.08441	0.9
221.08076	44.7
222.08476	0.9
223.07628	0.4
237.09119	1.0
239.07077	0.5
250.06264	0.4
251.06908	0.4
265.08502	0.9
269.08286	0.4
269.11612	0.5
273.12262	0.7
281.07925	0.9
282.08752	1.9
283.09702	0.7
297.11203	83.8
298.11475	2.6
299.10983	0.6
300.12030	0.4
315.12213	44.4
315.19699	0.9
316.12576	1.8
318.10281	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	315.1223
Annotation	CHEBI:70655
Peak:m/z	Relative Intensity
50.44863	0.4
51.14290	0.4
53.03945	2.1
55.01873	2.7
55.05529	0.9
64.78873	0.5
67.05505	0.4
69.03438	0.4
69.07061	0.5
70.02876	2.2
70.06589	1.2
77.03950	0.6
79.05488	11.7
81.03433	0.7
81.07055	0.9
84.08134	1.4
85.02911	0.8
86.09699	1.7
91.05476	3.4
93.07052	0.9
95.04962	4.4
95.08607	0.6
96.05264	0.4
97.06553	0.6
99.04501	0.5
100.68369	0.4
103.05463	0.9
105.04497	0.8
105.07010	2.4
107.04950	100.0
107.08587	0.8
108.05269	1.4
109.02877	0.8
109.06518	1.0
111.04446	0.4
115.05451	0.9
117.07069	0.9
119.04937	0.9
120.04447	0.5
121.06505	1.8
129.10242	0.6
131.04918	2.1
133.06468	2.2
135.08055	0.8
137.05957	1.9
138.03105	0.8
145.06494	0.7
145.10149	0.5
149.05934	0.5
150.05479	0.5
151.03822	0.4
151.07542	2.7
153.05424	0.7
155.07033	2.8
157.06534	0.6
161.05959	1.4
163.03848	0.8
163.07617	0.8
165.05484	1.4
165.09103	1.1
166.02614	2.7
167.03416	0.7
167.07034	0.9
171.11644	0.4
175.03946	0.7
176.04773	0.4
177.05481	3.1
177.06818	0.6
178.06046	1.6
179.07019	1.0
181.04956	6.1
181.08571	3.8
184.03673	2.9
191.07001	3.2
192.04214	1.5
193.04976	0.4
193.08620	0.8
194.05746	6.7
194.07341	0.8
195.06047	0.4
195.08098	0.7
205.04878	0.6
205.06596	1.0
206.05736	6.7
207.06526	8.0
208.07230	0.9
209.08080	49.5
210.08464	1.1
221.08080	43.0
222.08418	1.4
223.07608	0.9
237.09023	1.0
250.41164	0.4
253.08644	0.7
254.09306	0.4
255.10092	0.6
265.08606	1.3
266.09314	0.4
281.08090	1.2
282.08878	1.6
283.09689	1.3
297.11203	82.0
298.11526	3.4
299.11044	0.7
315.12207	43.0
316.12619	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	315.1222
Annotation	CHEBI:70655
Peak:m/z	Relative Intensity
51.02383	0.3
53.03947	1.5
55.01867	2.4
58.24384	0.2
65.98074	0.2
70.11585	0.6
70.11975	0.6
71.90549	0.3
77.03930	0.6
79.05486	11.6
81.03394	0.3
91.05473	2.3
95.04955	3.4
103.05453	0.3
105.04503	0.9
105.07037	1.6
107.04945	100.0
108.05275	1.5
115.05447	0.7
117.07008	0.4
119.04938	1.2
121.06513	1.0
131.04901	1.2
133.06499	1.3
137.05977	0.5
144.05725	0.3
145.06473	0.8
149.05936	0.3
151.07541	1.8
153.05472	0.4
153.09062	0.5
155.07018	2.7
161.05981	1.3
163.03874	0.7
163.07510	1.0
165.05476	1.5
165.09108	1.5
166.02594	3.1
167.03333	0.3
167.07051	0.5
175.07491	0.4
176.04718	0.6
177.05440	1.9
178.06265	0.9
179.07005	1.7
181.04951	5.5
181.08565	4.1
184.03632	2.1
191.07007	2.5
192.04166	1.5
193.04919	0.5
193.08595	0.7
194.05724	6.7
204.07703	0.4
204.67345	0.3
205.04823	0.4
205.06523	0.4
206.05701	5.9
207.06505	8.0
207.08412	0.4
208.07072	0.3
209.08072	48.9
210.08403	1.0
221.08066	44.1
222.08475	1.3
233.05934	0.3
237.08994	0.5
238.92899	0.3
239.07091	0.5
250.06291	0.3
253.08498	0.3
265.08588	0.8
267.06476	0.7
281.08087	0.7
282.08798	1.2
297.11185	85.5
298.11560	3.8
315.12225	44.9
316.12585	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	314.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01872	2.7
55.05527	2.3
56.96556	1.6
57.03437	1.4
58.06588	1.1
61.58247	1.1
62.06087	4.3
67.05497	2.6
69.03422	1.5
69.07069	2.4
69.65953	7.9
70.02962	2.0
70.06599	6.1
71.04987	1.7
71.08627	16.9
72.08144	4.6
73.02929	2.9
79.05499	3.4
81.03429	1.9
81.07053	9.3
82.68724	1.2
84.04498	1.4
84.08150	3.8
86.06059	28.6
86.09703	4.7
89.42023	1.0
91.05483	6.1
93.07051	7.5
93.36809	1.1
94.64607	1.0
95.04951	2.3
95.08581	2.3
96.08141	2.3
97.06538	1.4
98.09696	3.9
98.97607	1.8
99.04456	3.4
99.08072	6.2
100.07589	1.7
101.02399	7.1
103.05473	3.7
105.07027	2.4
107.04958	3.0
107.08607	2.3
108.08125	1.6
109.06518	13.4
110.07156	1.2
111.08088	10.1
111.72496	1.2
113.05965	1.1
114.09170	1.3
116.10748	18.3
117.03371	4.7
119.04984	1.3
121.06498	13.1
121.10184	1.2
124.07580	1.3
129.10226	1.7
134.09654	3.8
135.04352	1.9
136.06171	2.6
136.07556	1.2
137.05981	11.1
138.09087	1.2
142.12282	2.9
143.10661	18.8
145.02850	11.9
146.91071	1.1
149.06010	1.4
151.07530	2.4
152.07028	1.6
152.10716	3.6
160.13364	1.6
161.06030	1.4
163.03874	1.9
170.11720	8.2
177.05484	24.4
178.05844	1.4
180.10216	4.2
181.55215	1.2
198.11247	100.0
198.18544	4.1
199.11574	1.3
208.05276	1.6
214.18027	3.6
216.12308	78.9
283.09439	2.1
296.18448	4.3
298.10803	7.7
299.11578	4.4
314.10962	2.3
314.13870	23.2
314.19415	15.5
314.27756	1.6
315.08594	3.9
315.12427	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	314.1384
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
52.84251	0.4
53.03939	1.6
60.21600	0.4
86.09672	1.0
89.03896	4.8
91.05476	7.1
93.07036	10.4
95.04964	2.3
95.61110	0.4
103.05459	8.0
105.04495	0.5
113.53922	0.5
117.03374	17.7
118.03698	0.5
119.04935	0.9
120.08099	4.5
121.06498	54.4
122.06812	0.8
134.03645	1.0
135.04416	1.1
145.02837	50.6
146.03163	0.9
147.04399	4.9
147.95270	0.4
149.05977	5.3
162.03156	0.5
163.03943	0.8
177.05461	100.0
178.05807	1.6
186.05457	1.1
194.08217	1.1
314.13828	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	314.1383
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
50.01586	0.2
51.02378	0.4
53.00295	0.2
53.03939	1.4
55.01868	0.3
56.56155	0.1
63.02380	0.4
65.03938	0.2
70.05765	0.7
73.09709	0.2
77.03938	0.6
78.04689	0.3
79.05487	0.3
81.03408	0.3
86.06071	0.2
89.03906	5.4
91.05472	9.2
93.07035	12.2
95.04957	3.3
101.27573	0.1
102.28154	0.1
103.05457	9.9
104.37200	0.1
105.04503	0.9
106.04163	0.4
117.03368	21.1
118.03689	0.3
119.04919	1.7
121.06492	57.7
122.06835	0.9
134.03667	1.2
135.04404	1.3
136.05191	0.3
144.04388	0.1
145.02831	52.2
146.03203	0.8
147.04391	4.3
149.05965	6.2
151.07487	0.5
158.06007	0.2
162.03102	0.4
163.03889	1.1
177.05450	100.0
178.05804	1.9
186.05492	1.4
194.08151	1.1
198.11285	0.5
200.59203	0.1
204.06607	0.2
216.12288	0.3
229.42380	0.2
314.13831	26.7
315.14023	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	314.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01865	0.5
55.05503	0.3
62.06083	0.5
62.30927	0.2
63.02365	0.4
65.03933	0.3
67.05513	0.5
68.62962	0.2
70.06582	0.8
70.29505	0.2
70.76012	0.8
71.08632	1.8
72.08159	0.3
73.02906	0.5
77.03922	0.7
78.04697	0.3
79.05489	0.5
81.03415	0.2
81.07034	1.2
83.08579	0.2
84.04507	0.3
84.08133	0.5
86.06071	3.0
86.09695	0.8
89.03909	5.4
91.04902	0.4
91.05477	9.1
93.07039	11.5
95.04964	3.5
98.09663	0.7
99.08112	0.8
101.02383	0.7
103.05460	10.3
105.04499	0.7
106.04198	0.5
107.04980	0.3
107.08537	0.3
109.06531	1.8
111.08050	1.1
116.10732	1.9
117.03372	21.7
119.04938	2.5
120.08097	0.3
121.06496	52.5
122.06846	0.7
124.11191	0.3
129.10231	0.2
131.04973	0.2
134.03615	1.3
134.09668	0.5
135.04414	2.0
137.05980	1.5
138.09120	0.3
142.08592	0.3
142.12273	0.4
143.10655	2.3
145.02837	50.3
146.03198	0.8
147.04405	6.6
148.04863	0.3
149.05969	6.2
151.07527	1.0
152.10637	0.6
158.05975	0.4
162.03079	0.5
163.03929	1.0
170.11751	0.9
177.05460	100.0
178.05763	1.3
180.10158	0.5
181.04961	0.3
182.05374	0.4
186.05528	1.9
194.08156	0.9
198.11241	12.5
205.40840	0.2
214.17992	0.2
216.12306	9.2
243.10190	0.2
296.18570	0.7
298.10623	0.3
299.11441	0.2
314.13852	26.2
314.19080	1.7
315.14285	0.7
329.86270	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	314.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
54.37992	0.2
55.01870	0.2
55.05510	0.2
59.42574	0.2
59.43736	0.2
60.04528	0.2
63.02365	0.3
65.03958	0.2
67.05475	0.2
69.07056	0.3
70.02967	0.2
70.06591	2.7
72.08146	1.1
79.05495	1.4
81.07069	0.2
83.06058	0.2
84.04488	0.8
84.08147	1.0
86.09703	3.3
88.03979	0.7
89.03915	6.7
90.04240	0.2
91.05475	0.9
95.04940	0.3
98.06039	0.2
102.05538	0.2
103.05495	0.3
106.06540	0.2
107.04953	3.5
110.06078	0.2
110.07142	0.5
115.05441	0.8
117.03375	8.7
119.04939	0.3
120.08078	0.2
121.06509	0.3
123.04408	1.0
129.10234	0.6
130.05008	0.2
131.04901	0.2
134.05997	0.4
135.04411	20.6
136.04761	0.5
137.02354	0.4
137.05954	0.7
138.09113	0.5
143.04909	1.3
145.02846	14.2
147.04405	0.3
149.05894	0.3
151.07527	0.3
152.07066	9.6
154.04903	0.2
160.03944	0.2
161.05984	2.2
162.05424	0.2
163.03896	100.0
164.04242	2.5
164.07089	0.5
173.12892	0.4
177.05476	0.3
178.05026	0.6
178.08568	0.3
182.06561	0.2
182.11807	0.4
186.05475	0.6
192.06505	0.2
201.12288	0.5
204.06525	1.5
222.07346	0.2
224.09134	0.2
298.10754	0.6
314.10214	3.6
314.13748	1.5
315.13284	0.3
321.00009	0.2
321.28314	0.2
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
53.00298	1.2
53.03944	0.7
55.05513	8.9
56.60460	0.6
57.03170	1.4
57.03436	24.5
57.07074	69.5
58.07402	0.7
67.05193	0.9
67.05508	11.3
69.07064	11.9
71.04967	0.9
71.08630	43.9
73.06551	0.9
79.05481	0.9
81.06601	1.3
81.07053	15.8
82.17772	0.6
83.08616	13.7
85.06548	0.8
85.10181	22.5
89.06052	3.4
93.07014	1.5
95.08606	23.0
97.10166	6.9
99.11726	1.5
103.07563	1.8
109.10151	10.2
111.11726	1.6
121.10192	0.5
123.11714	4.7
137.13255	3.0
149.05789	0.7
159.13823	0.7
164.69447	0.5
165.16496	0.6
221.22736	0.9
229.25003	0.9
239.23674	5.1
240.81723	0.6
250.66341	0.6
257.24713	7.0
313.27356	100.0
314.27753	5.6
338.77881	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65102	0.7
55.05507	9.8
57.03162	1.2
57.03433	22.1
57.07072	67.9
60.55592	0.7
67.05507	13.3
69.06733	0.9
69.07070	12.5
69.81668	4.7
70.40559	0.8
71.04951	0.9
71.08628	42.7
73.00440	0.7
73.34018	0.7
75.04469	0.8
75.86134	0.7
79.05506	0.9
81.07056	17.9
83.08615	13.9
85.10182	20.3
89.06022	2.9
89.18102	0.6
93.07034	1.0
95.08599	23.1
97.06517	0.8
97.10159	7.8
97.11453	0.7
99.11716	1.5
103.07574	3.0
109.10152	10.5
111.11701	1.0
113.10246	0.7
117.09119	0.9
123.11690	5.1
125.13233	1.3
137.13243	1.5
139.11269	0.9
145.12206	0.8
221.22624	1.0
235.05739	0.7
239.23660	6.3
257.24786	7.3
313.27347	100.0
314.14093	0.9
314.27747	4.3
329.78497	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	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03923	7.1
55.01851	5.8
55.05507	18.8
57.07064	14.5
60.04517	8.5
61.72994	5.1
67.05487	26.0
69.07061	24.1
71.08626	7.6
71.27215	11.6
72.04492	23.7
79.05485	18.1
81.03409	11.9
81.07060	29.0
83.04998	10.2
83.74010	5.9
85.02865	7.6
85.10165	6.3
91.05457	17.3
93.07021	22.2
95.04939	11.6
95.08590	17.9
97.10107	7.3
99.12212	7.0
103.05450	21.9
103.41396	5.1
105.07001	20.9
107.08583	14.2
109.10134	23.6
113.09661	10.3
119.08563	6.3
121.06519	7.0
121.10137	11.6
123.11775	6.3
125.09648	8.6
131.04922	15.1
133.10144	13.4
135.04443	6.4
135.08052	7.5
137.05948	7.5
138.55295	5.8
145.10130	7.6
147.11646	6.9
148.05191	13.2
150.42790	6.3
151.11133	6.2
161.06129	5.6
161.13197	5.7
163.07539	10.0
165.12724	16.6
169.64960	5.9
175.03912	16.1
191.07008	9.9
221.22806	6.3
241.08655	6.1
277.21646	33.0
295.22638	100.0
298.10721	21.5
299.11435	12.1
305.42471	6.3
313.10794	16.3
313.27213	11.4
314.13898	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.7
56.97203	0.8
57.03168	0.9
57.03438	24.7
57.07074	72.4
59.60746	0.8
61.50301	0.7
63.18029	0.7
67.05505	13.6
69.06729	1.0
69.07070	13.0
70.11948	3.0
71.05003	0.9
71.08630	41.5
75.04488	0.8
81.06600	1.0
81.07056	16.8
83.08618	13.6
85.10181	23.0
85.86159	0.7
89.06020	3.4
93.07020	1.4
95.08605	24.5
97.10169	6.2
99.11709	1.6
103.07562	3.4
109.10158	12.3
110.17445	0.7
111.11738	2.1
113.13282	1.0
117.09167	1.0
123.11719	4.5
123.12494	0.7
125.13215	1.3
137.13234	2.3
172.05960	0.7
239.23766	5.2
257.24741	7.5
313.27356	100.0
314.27792	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.3
57.03166	1.4
57.03439	22.2
57.07076	62.9
61.46558	0.7
65.03899	0.8
67.05504	11.9
69.07069	10.2
70.96670	1.0
70.97006	0.9
71.05002	0.8
71.08630	37.7
79.05488	0.9
81.07053	18.1
83.08620	11.2
85.09663	1.1
85.10177	20.5
89.06046	4.8
93.07038	1.2
95.08609	24.5
97.10159	6.5
99.11747	1.6
103.07581	3.4
106.04299	0.7
109.10143	9.1
111.11715	1.8
113.13306	1.5
123.11723	4.3
125.13215	0.8
137.13268	1.6
147.13947	0.8
151.14833	0.8
198.01447	0.7
221.22714	1.2
239.23694	4.3
257.24731	6.2
277.16061	0.8
313.27356	100.0
314.13870	1.4
314.27795	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	313.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.2
55.01864	18.7
55.05513	39.2
56.96569	7.9
57.07072	12.7
67.05501	77.3
69.07062	47.8
69.40038	44.3
69.40463	22.7
70.06587	12.8
71.08633	22.3
79.05475	42.4
81.07054	67.7
82.24899	8.3
82.99593	9.0
83.08629	29.9
83.36915	9.6
84.08142	10.9
85.06549	11.0
91.05480	53.9
92.78541	7.7
93.07046	63.8
95.04993	14.8
95.08594	47.2
97.06566	13.6
97.10158	22.2
103.05486	48.1
105.07034	34.7
107.08590	29.7
109.10149	39.2
111.04481	9.5
111.08114	13.4
117.03353	17.3
119.04982	11.2
119.08616	22.7
120.08153	11.8
121.06483	100.0
121.10152	26.3
123.08047	12.7
123.11692	12.5
131.04912	30.6
131.08575	18.1
133.10144	25.5
135.04413	28.2
135.11668	22.2
136.06195	10.9
137.05997	26.7
137.09624	14.8
139.11195	11.2
140.57951	8.1
143.08432	9.3
145.02840	39.2
145.10107	10.5
147.04425	8.4
147.11693	15.0
148.05170	27.7
149.13316	18.6
151.07562	16.2
151.11195	10.7
161.05952	22.5
163.03909	36.1
163.07553	20.7
165.12773	10.3
175.03952	35.9
176.04715	27.4
177.05455	83.8
187.03954	22.0
195.08018	10.1
226.06305	8.9
231.21034	8.9
241.08554	21.5
257.18399	9.2
259.20749	8.1
264.33856	9.3
277.21564	45.8
285.11325	8.5
295.22690	11.3
298.10831	23.7
299.11719	10.5
313.07297	17.1
313.10901	30.0
313.21622	13.0
314.14047	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	313.1545
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03932	0.3
59.82315	0.1
59.94556	0.1
65.03956	0.1
70.06575	0.3
79.05487	0.2
84.04514	0.2
84.08125	0.1
86.09666	0.2
89.03913	0.4
91.05473	2.0
93.06490	0.2
93.07040	2.4
93.47755	0.1
95.04984	0.6
98.21649	0.3
100.82748	0.1
101.24494	0.1
103.05463	6.6
117.03389	1.6
118.06498	0.1
119.04934	0.9
120.08096	100.0
121.06494	4.1
121.08429	1.0
131.04974	0.4
143.00343	0.1
145.02844	4.1
146.06036	0.2
147.04393	2.8
149.05981	0.5
151.03886	0.2
151.07504	0.3
166.08629	5.0
177.05458	6.9
186.05508	0.1
229.63731	0.1
254.55461	0.1
255.77968	0.1
267.14740	0.6
297.64655	0.2
300.25327	0.1
313.11578	0.3
313.15363	1.8
314.13837	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	313.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.4
55.01861	15.4
55.05508	45.7
57.03440	39.3
57.07063	4.0
58.20804	3.0
59.04972	3.0
65.03932	4.0
67.05498	35.6
69.03428	71.5
69.07068	39.7
69.70069	21.0
70.06599	28.2
71.04987	25.8
71.08620	3.3
72.08145	5.5
79.05491	35.3
81.03410	78.7
81.07049	50.3
82.04185	25.6
83.04974	54.7
83.08612	20.6
84.04509	4.2
84.08138	7.5
85.02908	39.9
86.09702	17.0
87.00816	10.1
91.05462	29.8
93.07038	47.3
95.04969	24.7
95.08608	52.8
97.02890	30.4
97.06539	12.8
98.20784	6.7
99.04433	11.0
99.08112	6.0
103.05470	14.0
105.07010	20.3
107.04948	12.9
107.08594	12.5
109.02888	5.3
109.06498	11.1
109.10155	6.4
110.07176	5.1
111.04436	20.7
111.08072	100.0
113.09620	13.0
115.03971	4.1
115.05432	5.4
116.07045	3.8
117.03391	5.2
117.06998	14.3
119.08562	10.3
120.08089	39.2
121.06512	12.5
121.10139	5.4
123.04427	7.6
123.08062	29.7
125.02279	4.2
125.09653	4.6
126.68169	4.2
127.07549	10.7
129.10205	5.0
131.04890	7.6
133.06444	4.7
135.04420	9.6
135.08058	37.7
137.05960	4.3
137.09570	7.4
139.07532	99.2
139.11215	4.2
141.09100	60.0
144.05629	4.0
145.02820	6.5
145.10085	10.2
147.04408	4.4
147.08003	5.1
148.05162	7.2
149.05997	7.5
149.09619	10.3
151.03918	11.9
151.07538	43.6
152.22960	3.4
152.78136	3.5
153.09088	4.3
163.03883	9.3
163.07495	6.7
163.11218	8.7
165.09088	8.8
167.10712	4.5
171.02751	4.1
173.09520	3.8
175.03906	8.2
177.05418	7.9
178.05763	6.6
179.10606	5.3
181.12346	3.7
191.10675	21.4
199.70805	4.0
205.51207	3.8
207.10190	7.0
209.11694	82.3
217.13017	4.4
241.08730	3.5
242.49466	3.8
253.08601	4.4
253.31810	3.7
295.11737	75.5
313.10062	4.2
313.12967	25.1
313.18384	4.3
314.10419	3.9
314.13754	8.1
330.42795	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	313.1182
Annotation	Dictyoquinazol A
Peak:m/z	Relative Intensity
51.89261	1.1
55.01848	1.7
56.05013	2.2
56.52563	1.0
57.07058	3.8
60.19113	1.0
64.21974	1.0
67.05510	1.4
68.56226	1.0
69.07076	1.7
70.06593	10.1
71.04453	2.1
71.04795	2.4
71.08617	3.1
72.08158	7.5
81.07061	1.8
82.06568	1.2
84.04500	3.6
84.08131	10.1
85.10184	1.1
86.09696	7.4
88.04008	1.3
91.05460	3.7
94.06587	1.3
95.04957	1.8
95.08593	2.1
102.05488	1.2
103.05470	7.3
103.22485	1.1
105.06985	1.4
107.82036	1.1
110.06054	6.0
110.07173	4.9
111.06400	4.9
116.07064	1.2
119.04935	1.6
120.08128	1.6
121.07590	2.5
122.06043	1.5
123.04446	7.3
129.10194	5.3
130.05008	1.1
131.04919	5.0
132.04443	10.1
134.06007	8.3
135.04437	3.2
135.22333	1.2
136.07570	2.9
137.05972	4.2
146.05980	3.7
146.25739	1.1
148.05174	3.7
149.06042	1.3
149.07097	33.9
150.05516	12.2
152.07071	1.5
157.74673	1.1
161.06018	2.3
162.05499	20.6
162.06773	1.5
163.07565	2.9
164.06987	1.5
164.46608	1.1
171.11421	1.4
175.03906	4.1
176.04657	2.1
177.06592	66.7
185.49542	1.3
187.04021	1.3
190.07321	1.6
191.08145	4.4
197.05997	1.2
200.25385	1.3
203.08153	2.3
222.09004	2.2
226.06291	1.9
226.08585	1.2
233.27602	1.3
238.08505	1.4
241.08702	3.1
250.08661	8.7
266.08215	2.1
268.09628	2.3
270.07309	2.3
278.08118	2.8
284.09140	14.1
295.13437	1.5
296.09177	3.9
298.09521	3.6
313.11804	100.0
313.27310	4.9
314.12155	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	313.0705
Annotation	Irisolone
Peak:m/z	Relative Intensity
55.01865	1.2
55.05511	1.0
57.07074	1.3
63.34852	0.5
65.03936	1.7
67.01855	0.5
67.05486	1.5
69.03439	0.6
71.08598	0.6
79.05469	0.9
79.49497	0.4
81.07046	1.4
83.08611	0.6
85.06638	0.5
89.03932	0.6
91.05474	8.2
93.07059	0.9
95.04951	2.1
95.08598	0.7
103.05453	2.2
105.07030	1.6
107.04920	0.6
107.08552	0.7
109.10143	0.9
111.04443	0.7
119.04931	3.3
119.08613	0.7
121.10143	0.8
121.27406	0.5
123.04419	1.9
125.02320	0.6
129.06996	0.7
131.04916	1.9
133.10158	0.8
135.04408	1.4
137.05986	0.7
141.06938	0.8
145.02821	1.8
145.10120	1.0
147.04405	50.3
148.05058	1.2
149.02336	0.6
151.03946	3.2
152.06210	0.5
153.07022	0.5
157.10211	0.6
159.04404	1.4
161.05962	0.6
163.03935	0.8
163.07504	1.0
164.04678	0.8
165.06773	0.6
167.03381	9.3
168.05733	1.4
169.06429	1.0
173.09616	0.7
175.03894	2.3
176.04535	0.5
177.05423	0.8
179.03406	3.8
184.05255	0.5
186.06683	0.9
187.03906	2.5
191.07062	0.6
197.04405	2.2
197.05992	1.2
201.09151	0.8
205.04822	0.9
211.07536	1.8
214.06242	2.1
215.03358	1.6
215.06918	0.6
216.68294	0.6
223.07614	0.6
224.04684	2.2
225.05325	0.7
226.06316	0.8
227.06990	1.0
228.04156	1.0
229.08568	4.0
229.19044	0.7
230.05721	2.1
239.07011	4.8
241.08633	1.6
242.05707	1.7
243.06528	2.5
252.04160	2.7
253.04973	2.1
257.08078	11.0
267.06512	16.6
268.06851	0.7
270.05170	2.6
271.05896	0.6
281.04434	1.0
285.07574	19.3
285.10684	0.6
295.05997	6.0
296.06732	1.2
298.04721	1.0
313.07050	100.0
313.21643	1.5
313.27386	1.1
314.07401	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	312.13
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
56.05021	0.8
58.06595	0.3
60.04523	0.5
69.03442	0.4
70.06590	6.2
71.01351	0.9
71.06129	0.5
71.53410	0.5
72.08137	1.7
76.03975	0.4
79.44617	0.4
79.45077	0.3
82.06549	0.5
83.06087	0.5
83.78372	0.4
84.04490	1.4
84.08141	2.0
86.09682	1.4
87.08533	0.3
91.05481	0.9
92.20504	0.4
99.00791	0.4
103.05453	0.8
106.46461	0.3
107.04910	0.5
110.03518	5.2
110.06042	5.6
110.06741	0.5
110.07167	0.9
116.07090	0.8
119.04942	0.4
120.08115	0.8
128.04553	0.6
129.10204	0.9
130.05034	0.4
135.03008	0.5
135.04388	0.7
136.03912	0.5
136.07581	1.6
137.06004	0.6
137.08208	2.3
146.05984	0.9
147.04364	0.5
149.05966	0.3
150.05457	0.7
153.04077	1.7
162.05511	1.0
162.07748	0.8
164.07037	0.9
165.06578	0.4
169.03206	0.4
169.13359	0.8
180.08795	100.0
181.09091	1.2
204.10216	0.9
213.12398	1.1
226.07056	0.5
250.10840	0.9
312.12152	0.6
313.10977	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	312.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24072	0.7
53.03930	1.2
55.01857	2.4
55.05511	8.9
57.03435	1.9
57.07063	1.9
64.12598	0.9
65.03942	2.7
65.86367	0.8
67.05500	7.9
67.35210	0.8
69.03413	2.2
69.07072	4.4
70.06593	1.1
71.04978	1.0
71.51143	1.2
72.04501	0.9
72.08154	100.0
73.02890	3.3
73.08477	1.0
79.05492	24.0
81.03417	1.1
81.07056	15.4
83.04965	1.7
83.08608	1.6
84.04485	1.4
84.08142	1.3
85.02898	3.1
86.09698	2.2
89.03908	1.7
91.05486	25.0
92.05798	1.2
93.07043	39.8
93.07639	1.9
95.04948	4.8
95.08611	6.5
96.04536	0.7
97.02891	1.6
97.06535	3.1
103.05472	3.1
105.07022	5.2
107.04968	3.8
107.08590	21.2
109.06455	1.8
109.10139	1.0
110.07133	1.1
114.09212	1.2
117.03360	5.9
117.07031	4.0
118.08651	65.0
119.04958	8.3
119.08562	1.5
120.08105	0.8
121.02842	1.2
121.06499	6.0
121.10161	4.6
123.04445	1.2
125.02345	0.9
125.05940	0.8
131.04930	2.4
131.08585	4.0
133.02859	1.1
133.10123	8.3
134.03482	0.8
134.06046	0.8
135.04410	2.7
135.06775	2.2
135.08037	4.0
135.11685	26.7
136.07585	11.0
137.05959	6.2
137.07959	1.9
141.07024	0.9
141.57297	0.7
144.06511	1.3
145.02841	14.8
145.04773	0.9
146.03531	1.2
147.04404	50.1
148.05170	1.4
149.05966	2.5
149.13254	20.8
150.05486	1.3
151.03911	4.0
151.07590	1.0
151.14793	2.3
151.99040	0.9
153.12738	1.7
159.04404	1.9
159.11682	3.4
160.03288	1.1
160.53491	1.0
161.05959	0.9
162.07626	1.5
163.03903	3.6
164.04724	0.8
167.03387	8.5
169.06578	0.9
173.02396	1.8
175.03897	1.8
176.14308	3.7
177.05475	22.7
177.12732	16.7
178.05782	1.3
178.12245	1.7
179.03375	3.3
181.06462	1.0
186.05479	1.0
187.03952	2.1
192.06519	2.1
195.13820	1.7
197.04451	2.0
197.06085	1.0
206.56677	0.9
211.07526	2.1
213.05476	1.0
214.06171	0.8
215.03371	2.2
221.80901	0.7
224.04657	2.1
224.12756	1.6
225.05356	1.3
227.06865	0.8
228.04343	1.2
228.07004	2.4
229.08582	2.6
230.05704	1.6
239.06992	4.7
239.79616	0.7
240.15971	3.2
241.08630	1.2
242.05695	1.7
243.06487	3.5
248.20087	15.0
252.04182	2.5
253.04924	1.2
257.08102	11.6
265.04803	0.9
266.21115	1.4
267.06512	20.1
270.05209	2.9
276.19391	1.5
285.07571	20.4
294.20642	37.6
294.24039	1.8
295.06052	6.4
295.20926	1.1
298.04898	1.0
312.12415	2.6
312.19376	3.0
312.21896	2.9
312.25116	1.6
312.32626	1.1
313.07050	98.2
313.10309	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	312.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66507	0.3
60.74827	0.4
70.84306	0.9
73.76013	0.3
86.51100	0.4
89.03914	6.9
89.04433	0.5
90.66621	0.3
90.83835	0.3
91.05484	0.8
103.05458	0.8
107.04986	0.5
117.03379	27.7
117.07001	0.4
121.02864	0.6
134.03630	2.5
135.04416	1.2
145.02844	55.3
145.06458	2.6
146.03143	1.3
147.04301	0.4
149.05972	7.4
162.05511	1.2
163.03949	0.5
175.07590	0.5
177.05467	100.0
178.05794	2.5
186.05479	0.7
188.07063	0.6
312.12286	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	312.1228
Annotation	Botryllamide F
Peak:m/z	Relative Intensity
50.01614	0.2
53.72907	0.2
55.05506	0.2
62.01627	0.2
63.02379	0.5
69.45702	1.6
70.06583	0.8
72.08162	0.7
78.04694	0.3
81.07076	0.2
84.08131	0.5
86.09692	1.1
89.03912	7.6
91.05477	0.8
92.90734	0.2
93.07023	0.4
95.04971	0.4
100.11227	0.3
103.05451	1.4
106.04177	0.7
107.04916	0.5
110.07199	0.4
115.05408	0.3
117.03374	25.6
117.07024	0.5
118.03712	0.7
119.04918	0.5
120.08099	12.1
121.02854	0.8
121.06496	0.4
124.05201	0.3
126.59537	0.2
134.03607	1.7
135.04408	1.8
136.07599	0.4
137.05948	0.5
143.04936	0.3
144.04410	0.3
145.02838	57.5
145.06479	2.9
146.03197	1.6
147.04416	0.3
149.05968	8.1
158.06020	0.4
162.05547	1.2
163.03885	0.6
164.07083	0.2
166.08603	0.6
175.07503	0.5
177.05461	100.0
178.05800	3.3
186.05457	1.7
188.07071	0.4
208.11948	0.2
280.15323	0.2
284.09048	0.4
312.09070	0.3
312.12360	2.8
313.15396	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	312.1229
Annotation	Botryllamide F
Peak:m/z	Relative Intensity
52.78847	0.3
53.03934	0.5
53.50413	0.3
55.05509	1.2
56.05044	0.5
58.99574	0.3
60.04520	1.3
63.02402	0.5
65.03939	0.7
69.07063	0.5
69.24920	0.4
69.61847	1.5
69.62276	1.4
70.06590	5.2
72.08145	4.2
74.06083	0.8
81.07062	0.7
83.06116	0.6
84.04510	2.1
84.08135	5.3
85.02898	0.5
86.00659	0.5
86.06085	0.4
86.09700	4.6
87.05551	0.3
87.10036	0.4
87.88453	0.3
88.03980	0.6
89.03912	7.6
91.05479	7.4
92.05813	0.4
93.07042	0.3
95.04961	0.6
97.97729	0.4
98.21496	0.6
102.05586	0.5
103.05452	1.0
105.03390	0.7
106.04184	0.7
107.04958	2.0
110.06030	1.1
110.07176	2.1
112.08743	0.6
114.05493	0.3
115.05440	0.9
115.08706	0.5
116.07047	0.4
117.03381	27.5
117.06998	1.2
118.03719	0.8
119.04115	0.7
119.04942	12.4
120.08100	4.8
121.02863	1.1
121.06501	1.4
121.08424	0.3
123.04430	0.4
124.05178	0.4
129.10231	2.6
129.50713	0.4
130.05022	0.5
131.04912	0.9
132.08076	0.9
133.02846	0.4
133.06459	0.4
134.03589	2.3
135.04405	2.2
136.07602	1.6
137.05951	1.4
140.07063	0.3
142.05034	0.5
143.04922	0.4
144.10216	0.6
145.02844	61.2
145.06493	5.2
146.03171	1.4
146.06006	0.5
147.04410	41.9
148.04779	1.0
149.05980	7.9
150.05476	0.5
150.09132	0.7
151.03893	1.3
158.06030	0.4
159.11316	0.5
160.05130	0.5
161.05917	0.5
161.12892	0.4
162.05505	2.5
163.03868	0.9
166.08647	0.8
167.01581	0.4
167.06989	0.9
167.08612	0.3
172.03928	0.5
173.05986	0.4
175.07571	1.7
176.06956	0.4
177.05467	100.0
178.05887	2.8
184.07350	0.6
186.05481	2.1
188.07047	0.9
190.04961	1.4
192.06531	0.8
206.08080	0.6
210.11220	1.1
213.15968	0.4
218.08189	2.0
218.09947	0.3
223.00656	2.1
225.05635	0.6
266.04636	0.5
282.07571	0.4
284.09042	0.5
299.12418	0.4
312.05060	0.7
312.08603	6.0
312.12244	4.1
312.32593	0.6
313.08206	0.5
313.11606	1.0
325.95850	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	311.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.7
55.05516	30.8
57.07063	21.8
66.67173	5.2
66.98346	5.1
67.05508	35.9
69.03426	11.3
69.07069	72.1
70.06577	9.5
71.04983	10.9
71.08624	11.1
71.55846	7.2
72.08169	5.9
73.06516	5.2
79.05499	30.0
80.37563	5.4
81.07052	100.0
83.04991	5.5
83.08617	40.5
84.04516	6.2
84.08127	8.7
85.06525	16.5
86.09720	11.9
89.03920	6.6
91.05479	23.8
93.07058	39.5
95.04952	14.5
95.08612	69.1
97.06532	19.6
97.10176	20.9
99.08076	17.2
103.05493	10.3
105.07026	16.0
107.04936	10.4
107.08579	28.6
109.06496	6.6
109.10158	26.6
111.08079	14.5
111.11726	11.3
113.06004	6.4
117.03394	14.3
117.28605	5.0
119.08591	15.2
120.08141	6.9
121.06513	24.5
121.10123	23.6
123.11720	19.3
125.09597	16.2
131.08539	9.7
133.10115	8.4
135.11676	11.8
136.07558	7.1
137.05974	14.5
137.13254	9.7
145.02882	27.3
145.10110	6.1
149.05933	6.5
149.09634	6.0
149.13287	9.0
161.06004	7.3
177.05447	59.1
191.08588	8.1
209.11607	6.8
210.06766	7.4
219.07994	9.3
251.10654	9.4
272.91388	5.5
275.19791	5.0
279.10229	11.5
281.28738	6.4
293.28290	17.9
296.03149	6.8
311.05396	20.5
311.09335	7.3
311.13153	10.8
311.18109	26.0
311.29480	12.4
312.12308	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	312.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.5
55.05492	0.4
56.05046	0.5
63.27636	0.3
63.52403	0.3
65.03941	1.7
67.05496	0.3
68.63818	0.2
68.99773	0.7
69.07059	0.3
70.06578	1.8
70.95361	0.3
71.01347	9.6
71.11156	0.5
72.08149	1.5
79.91672	0.2
80.05016	1.2
82.06551	0.3
84.04487	1.2
84.08131	1.7
86.09684	1.0
87.00813	7.4
87.72667	0.3
89.02383	5.2
91.05458	0.4
92.05002	4.3
93.03399	0.3
99.00797	3.6
100.84365	0.3
103.29237	0.2
105.01871	2.5
107.04948	0.3
108.04477	4.0
110.06031	100.0
111.04465	1.5
111.06349	0.5
115.08684	0.3
117.01825	1.0
119.04937	0.3
120.04427	0.5
120.08089	0.4
121.06497	0.3
123.04391	0.3
129.10219	0.8
134.06024	0.8
136.03928	8.8
136.07582	0.8
137.05894	0.5
138.05508	1.4
144.04414	1.0
145.02829	0.4
150.05473	0.4
152.07036	0.3
162.05487	2.0
172.03941	4.0
173.09404	0.3
175.02394	0.3
177.05493	0.7
180.06541	14.2
181.06630	0.3
190.04977	7.7
208.06000	3.1
216.11226	0.3
223.04257	0.3
224.94557	0.3
226.07077	7.5
229.04938	0.3
239.98579	0.3
267.68335	0.3
281.62924	0.3
288.17688	0.3
294.06039	2.1
312.08420	1.4
312.12027	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	311.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01867	2.6
55.05508	66.3
56.05867	0.8
57.03162	1.5
57.03434	25.5
57.06796	1.9
57.07071	30.3
61.42624	0.8
67.05506	11.3
69.07065	74.6
69.41517	7.7
70.07407	1.3
71.08627	19.5
73.02903	2.4
73.06535	1.1
77.67216	0.9
79.05497	5.6
81.07053	13.1
83.04973	1.7
83.08613	62.8
84.08915	1.0
85.06516	0.9
85.10175	6.9
91.05484	1.0
93.07042	6.2
95.08621	7.4
96.68456	1.0
97.06527	6.6
97.10163	40.0
98.10458	1.1
98.20777	1.9
107.08583	5.6
109.10139	4.2
111.08080	2.9
111.11710	13.6
121.10120	7.9
123.11710	2.5
125.09631	1.5
125.13264	2.3
135.11656	4.3
137.13274	1.0
139.11163	2.0
149.13237	3.3
163.14723	1.1
219.21059	2.2
237.22034	1.3
311.25784	100.0
312.26123	7.3
330.69653	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03937	1.9
55.01854	3.1
55.05509	67.3
57.03434	26.3
57.06797	1.6
57.07074	32.7
67.05513	9.9
69.07064	74.9
69.19279	0.9
70.76799	3.0
71.08626	18.9
79.05495	5.3
81.07047	13.6
83.04977	2.1
83.08615	62.0
85.10178	6.9
93.07037	8.9
95.08593	10.4
96.89130	0.9
97.06543	6.7
97.10164	43.8
97.10793	2.1
98.10428	1.0
107.08595	5.8
109.10159	4.4
111.08073	2.9
111.11714	10.7
121.10120	8.3
123.11712	1.8
125.09627	1.5
125.13240	2.2
129.05473	1.0
135.11674	4.9
137.13208	1.2
139.11111	1.1
139.14795	1.2
146.10706	1.1
149.13228	2.8
153.12782	1.1
159.09253	0.9
163.14815	2.2
167.14268	0.9
177.16405	1.2
219.21059	2.5
235.82191	0.9
311.25787	100.0
312.26111	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	311.2215
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03938	4.7
54.54200	2.1
55.01873	14.7
55.05511	88.7
57.03424	3.9
57.07072	2.0
63.29695	2.2
65.03938	1.7
67.05503	36.1
68.75742	1.6
69.03418	7.8
69.07063	18.5
69.92638	10.0
70.65985	1.9
71.05000	2.9
71.08629	20.3
77.61725	1.6
79.05489	38.4
80.67921	1.9
80.76474	1.6
81.03411	25.0
81.06595	3.1
81.07056	49.8
83.04980	22.3
83.08157	2.7
83.08623	47.8
85.02901	2.0
85.06542	3.9
85.96935	1.9
91.05479	19.3
93.07043	26.7
95.04968	42.2
95.08601	16.3
97.06524	7.9
97.10168	36.1
99.04439	2.2
99.08086	21.8
101.09655	2.5
105.07016	14.1
107.04943	8.0
107.08585	32.0
109.06503	6.7
109.10143	17.2
111.04438	15.8
111.08074	7.5
111.13129	1.8
113.05976	2.8
117.07018	6.1
119.08578	15.2
121.06472	4.2
121.10159	8.5
123.08059	4.6
123.11732	4.1
125.09635	27.3
128.06229	1.9
129.07004	5.2
131.08572	12.7
133.10110	10.3
135.08051	6.7
135.11678	10.8
137.09660	2.6
139.11223	3.7
141.06938	1.8
145.10115	11.1
145.38724	1.6
147.08051	4.9
147.11678	6.8
149.09618	18.0
149.13277	2.3
153.09062	5.1
153.12747	5.8
157.10144	6.0
159.11681	5.4
161.13206	2.3
163.11182	54.6
165.12729	5.0
167.10669	4.9
175.11250	3.5
177.12718	5.6
181.12231	5.1
185.11678	2.6
187.11127	2.0
189.11214	14.7
189.12643	2.5
190.63441	1.7
191.10619	3.7
193.12267	13.9
195.13853	17.6
211.13249	10.5
223.13260	11.6
229.19435	2.3
247.20557	5.9
249.22141	2.7
257.19028	6.6
265.21509	1.9
268.37997	1.8
275.20059	30.5
293.21100	100.0
294.21494	3.8
311.22189	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03922	3.4
55.01850	6.5
55.05515	39.6
57.03426	7.4
57.07061	14.3
57.39683	3.7
59.04972	4.3
64.48453	3.2
67.05499	64.0
69.03420	7.3
69.07071	48.6
70.06605	3.8
70.41855	12.3
71.04977	7.8
71.08617	4.5
73.06522	4.1
79.05494	33.4
81.03412	5.8
81.07050	100.0
81.07526	4.8
83.04972	8.6
83.08611	26.0
84.04504	4.0
84.08156	3.9
85.06532	15.4
86.09675	3.8
91.05469	31.9
93.07045	53.5
95.04962	8.6
95.08605	63.8
97.02856	3.9
97.06522	11.1
97.10168	19.3
99.08080	10.0
105.07057	25.3
107.04951	5.4
107.08598	36.1
109.06516	7.6
109.10143	40.0
111.08082	10.2
111.11708	5.5
117.03374	7.6
117.07026	9.9
119.08585	30.8
121.06483	8.4
121.10135	23.9
123.08055	11.2
123.11697	15.6
125.09596	16.3
131.08568	15.4
133.10135	21.2
135.08037	4.9
135.11642	13.3
137.05936	3.8
137.09691	5.5
137.13283	7.2
145.02824	11.7
145.10136	13.9
147.11667	13.3
149.09567	9.8
149.13240	14.1
151.11211	4.1
151.14922	5.6
153.12715	4.4
156.87799	4.1
157.10123	4.8
159.11678	13.9
163.11127	5.6
171.11656	5.6
173.11832	5.5
173.13287	6.9
177.05461	28.0
177.12808	4.1
189.11227	7.7
207.13657	4.2
213.16554	4.2
235.14671	4.0
247.86151	3.3
257.18985	10.5
265.21622	4.5
275.20059	56.5
293.21271	16.9
311.05414	12.4
312.12326	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03950	4.2
55.01867	14.0
55.05510	40.0
57.07069	4.1
65.46554	3.0
67.05507	35.5
67.38062	3.1
67.45217	3.7
69.03429	4.8
69.07070	36.6
71.04994	8.7
71.08621	10.2
79.05496	30.5
81.03406	16.8
81.07069	40.0
83.04971	22.4
83.08620	23.2
85.02911	5.1
85.06528	5.7
91.05484	23.4
93.07052	35.5
95.04966	63.2
95.08619	28.5
97.06525	9.5
97.10186	18.1
97.63467	3.2
98.21552	5.6
99.04464	10.0
99.08086	10.6
103.05490	3.0
105.07028	15.2
107.05007	7.0
107.08595	29.6
109.06520	5.2
109.10140	11.1
111.04433	25.6
111.08099	7.6
117.06992	8.2
119.08603	12.9
121.06515	4.2
121.10164	15.9
123.08116	3.7
123.11710	5.0
125.09641	13.9
129.07013	4.0
131.08588	15.1
133.10141	9.1
135.08051	15.5
135.11697	10.2
143.08632	3.8
145.10127	15.0
147.11697	6.9
149.09651	11.5
149.13261	7.7
151.11081	3.8
152.77615	3.3
153.09013	4.3
157.10170	4.3
159.11713	9.7
163.11208	16.9
167.14336	5.9
177.12766	13.5
187.11176	4.3
189.11159	5.4
193.12242	7.4
195.13870	11.0
201.12730	4.3
204.05800	3.3
209.11649	4.8
215.68268	3.6
223.13277	6.2
225.15013	3.5
237.14838	45.0
239.17992	4.8
240.04254	4.7
247.20670	3.9
251.16406	3.9
275.20032	46.6
293.21103	100.0
296.03152	9.1
298.63156	3.8
311.05499	10.6
311.09183	3.9
311.22238	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.12423	1.7
55.01860	4.1
55.05501	12.0
57.07069	4.3
63.86349	1.9
64.17970	1.8
67.05187	2.1
67.05508	18.3
69.03411	2.0
69.07071	14.5
71.54306	2.1
71.54641	2.1
79.05492	11.0
81.03388	2.8
81.07053	21.9
83.04961	6.0
83.08613	4.7
91.05473	16.8
93.07047	17.8
95.04956	6.5
95.08606	10.7
97.06548	3.3
105.07022	19.4
107.04931	6.3
107.08589	12.5
109.02752	1.6
109.06496	7.9
109.10132	8.3
111.04390	2.8
111.08071	2.1
115.05396	1.7
117.06998	4.5
119.08602	10.7
121.06507	8.3
121.10128	7.1
123.08050	4.4
123.11665	2.2
131.08572	9.4
133.06458	2.4
133.10127	9.3
135.08058	2.5
135.11627	4.5
143.63458	1.6
145.10115	9.2
147.11646	8.6
149.09633	3.5
149.13229	2.4
151.11160	6.6
157.10037	1.7
159.08029	2.4
159.11668	6.0
161.09663	2.9
161.13274	3.7
161.57391	2.0
163.11208	4.2
171.11632	2.4
173.09682	2.4
173.13213	4.5
175.11143	2.5
187.11192	2.4
191.10558	2.7
191.14313	2.0
209.11688	12.9
219.13698	3.8
233.34261	2.4
237.11092	12.7
240.04083	2.2
245.23602	1.7
255.12230	2.0
257.19058	10.9
275.20062	100.0
276.20285	2.6
277.78381	1.6
277.90750	1.9
293.21054	34.0
296.03134	3.1
311.05548	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	311.2213
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.01120	0.5
53.03927	0.8
55.01862	8.3
55.05510	17.5
57.03407	1.3
57.07073	30.2
59.89585	0.5
65.03926	1.0
67.05502	13.2
68.99761	1.5
69.03411	1.4
69.07063	6.6
71.01350	1.3
71.04971	1.8
71.08610	1.0
71.25082	1.3
78.66427	0.6
79.05491	13.3
81.03395	2.4
81.06598	0.7
81.07051	11.9
83.04510	1.0
83.04975	16.1
83.08166	0.9
83.08614	11.9
85.02904	2.8
85.06522	1.2
91.05488	6.4
93.06504	1.0
93.07040	13.6
94.07302	0.5
95.04961	26.7
95.05571	1.4
95.08591	6.1
97.02854	0.8
97.06522	4.4
97.09660	0.6
97.10172	8.3
99.04440	3.6
101.02347	1.0
105.07027	6.8
107.04955	6.7
107.08594	14.4
109.02867	4.3
109.06500	3.2
109.10145	4.3
111.04438	35.2
111.08083	4.6
117.06991	2.9
119.08575	7.3
121.06458	1.4
121.10144	9.3
123.08049	1.7
123.11674	1.1
125.05994	7.1
125.09615	10.4
127.07533	0.8
129.05434	0.7
129.06975	1.8
131.08546	5.3
133.10141	3.3
135.04413	3.6
135.08017	2.3
135.11673	4.6
137.09581	1.5
139.11133	1.7
141.09077	1.3
143.08548	1.3
145.10114	8.7
147.08012	2.0
147.11659	2.4
149.02309	0.8
149.09610	15.1
153.05458	18.4
153.09027	1.2
153.12711	2.2
155.08617	0.8
157.10040	1.2
159.11647	2.2
161.09476	1.1
161.13269	0.8
163.03879	1.6
163.11165	15.4
165.12831	0.8
171.10167	0.8
173.09602	1.4
173.11662	1.3
173.13170	0.7
175.07573	0.9
177.09074	1.2
177.12766	1.2
181.04973	3.9
181.12216	11.0
182.12560	1.0
187.11166	1.4
189.11195	7.9
191.10667	14.5
192.11000	0.7
193.04941	2.9
193.08568	1.6
193.12123	0.8
205.10495	0.7
205.12265	2.9
209.11716	100.0
210.11993	4.0
211.13177	0.8
219.10152	1.3
223.13281	28.3
224.13689	1.0
227.12642	1.0
229.19502	1.1
237.11203	86.6
238.11627	3.9
239.17906	1.8
247.20688	0.8
255.09520	0.9
255.12259	17.5
256.12598	0.7
257.19012	4.1
265.17957	1.2
275.20056	27.7
276.20203	1.3
293.17496	5.7
293.21097	28.7
294.21344	1.4
311.05450	1.4
311.18481	4.3
311.22025	2.7
311.25150	4.1
311.74823	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	310.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64309	1.1
53.03955	1.5
55.01867	4.2
55.05511	14.7
57.07070	2.0
59.29016	1.4
67.05505	8.8
69.07065	5.4
70.04080	1.5
70.06578	3.8
71.04990	2.2
71.51745	2.3
72.08152	100.0
73.08466	1.5
79.05499	6.8
81.07054	12.6
82.07370	1.5
83.04976	5.5
83.08613	2.6
83.84302	1.5
84.08120	2.2
85.95161	1.3
86.09691	3.4
86.40540	1.5
87.45338	1.3
89.64339	1.2
91.05486	13.6
93.07036	17.0
94.07350	1.6
95.04947	5.1
95.08617	6.8
97.06521	2.8
105.07028	15.8
106.07330	1.5
107.04957	1.6
107.08585	6.5
109.06519	10.7
109.10139	4.2
111.04454	4.1
111.08045	3.5
112.04766	2.2
114.09151	5.2
117.06975	1.7
118.08651	39.1
119.08559	5.6
119.12134	1.3
121.10190	3.4
123.08076	1.5
125.09615	2.0
131.08595	4.0
133.10106	22.1
134.10458	1.9
137.09688	1.5
142.08678	1.8
145.10107	1.9
147.11674	15.9
149.09607	2.7
149.13272	2.3
151.07512	2.4
151.09976	3.2
151.11172	50.0
151.12395	3.1
152.11455	2.6
157.10213	2.2
160.48810	1.7
165.12665	2.3
175.11238	4.7
193.12262	5.4
194.71826	1.8
222.45578	1.6
246.18440	8.2
264.19586	26.5
265.19849	1.6
280.14819	1.5
292.19150	8.5
304.73187	1.4
310.20239	19.7
311.05487	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	310.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
56.05029	0.6
69.07061	0.7
70.06599	5.6
70.80278	1.9
72.08165	3.3
74.06068	0.7
78.01795	1.3
79.05494	0.8
81.07042	0.9
83.04958	0.8
84.04505	2.1
84.08126	6.9
86.09710	6.5
88.03983	2.1
89.03918	7.6
91.05473	2.2
93.07070	0.8
103.05466	0.7
105.07007	0.7
107.04899	0.7
110.07161	0.9
117.03380	24.9
119.04929	0.8
120.08105	2.3
121.08417	0.8
129.10233	3.7
134.03604	1.7
135.04395	1.9
136.07567	1.8
137.04152	0.8
137.05971	1.3
145.02850	59.1
146.03180	0.9
149.05969	8.4
149.34644	0.6
157.34756	0.6
160.99945	0.6
161.13097	0.6
163.03802	0.9
177.05472	100.0
178.03242	1.4
178.05884	1.1
178.07410	0.7
181.04362	0.7
186.05490	1.4
189.12660	1.2
206.02640	0.8
207.03453	0.7
310.14438	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	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
55.01856	2.5
55.05515	27.6
57.03434	3.0
57.07079	28.1
65.01278	1.8
67.05505	37.8
69.03427	3.9
69.07069	56.9
69.34277	17.6
70.06604	2.1
71.04987	6.4
71.08637	17.3
79.05493	22.1
81.03407	2.4
81.07059	100.0
83.05000	10.4
83.08618	27.2
84.08148	2.2
85.06542	3.4
85.10176	7.2
91.05480	14.0
93.06497	2.4
93.07050	33.4
95.04971	6.5
95.08611	81.3
96.08926	1.9
97.06538	9.7
97.10173	19.1
98.21498	3.7
99.08109	2.1
105.07034	23.3
107.08592	28.9
109.06519	7.8
109.10155	47.2
111.08075	8.5
111.11721	10.0
117.06995	2.7
117.99601	2.2
119.08588	14.0
121.06487	2.0
121.10136	21.7
123.08116	8.8
123.08913	1.7
123.11713	35.6
125.09594	3.4
125.13223	2.5
127.07559	6.2
131.08606	3.2
133.10141	14.1
135.08058	3.6
135.11688	18.3
136.79591	1.9
137.06004	2.3
137.09598	8.2
137.13287	13.2
139.11159	3.3
145.10071	3.4
147.04433	4.0
147.11662	18.1
149.13217	11.3
151.11180	3.7
151.14844	3.6
153.12749	2.7
155.10649	4.7
161.13280	10.5
163.14813	8.1
165.12769	8.4
165.16356	2.7
175.14871	4.2
177.05424	2.7
177.16360	3.4
179.14267	2.3
179.17946	2.5
189.16435	3.5
191.17937	3.9
203.17960	4.6
206.04848	2.2
217.19518	5.3
273.18448	4.0
273.25775	17.2
277.08707	2.2
291.19708	4.3
291.26840	20.8
309.11179	3.7
309.20700	4.1
309.27896	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.29316	1.3
53.03929	3.6
54.17383	1.4
55.01855	3.1
55.05513	38.3
56.86193	1.3
57.03425	2.4
57.06839	1.6
57.07076	21.1
59.04983	5.5
67.05190	2.4
67.05507	33.8
69.03419	5.0
69.07067	94.9
69.90812	5.5
70.07372	1.7
71.05001	8.0
71.08620	10.3
73.06539	5.0
79.05492	17.4
81.03407	1.4
81.07054	100.0
83.04990	3.1
83.08163	2.7
83.08619	40.6
85.06548	11.0
85.10149	1.7
90.40650	1.3
91.05476	9.0
93.07038	33.3
94.07330	1.7
95.04954	4.7
95.08606	85.0
96.08932	1.7
97.06518	8.9
97.10179	14.8
99.08100	6.5
105.07026	16.7
107.08591	34.2
109.06513	4.3
109.10155	39.6
111.08083	35.7
111.11709	6.4
113.09618	2.6
119.04927	3.9
119.08558	9.2
121.10147	22.1
123.08037	2.4
123.11703	38.4
125.09614	4.7
125.13277	5.3
133.10114	6.7
135.11703	18.2
137.09674	1.8
137.13257	14.4
139.11151	4.5
143.14267	1.5
147.04411	14.8
147.11638	8.6
149.13263	14.9
151.11174	2.7
151.14821	2.7
153.12769	7.2
161.13283	7.3
163.14871	7.5
165.12730	10.8
167.14339	3.1
171.13689	1.6
177.05409	1.9
177.16379	4.1
179.14342	3.9
179.17886	2.0
182.15314	2.2
189.16379	2.8
191.17917	2.8
193.19540	1.4
195.09657	1.4
203.17940	2.9
205.45863	1.4
209.19055	2.7
217.19522	3.9
219.20944	1.4
234.06671	1.7
251.80998	1.5
273.25711	6.3
277.08676	2.4
279.27023	2.7
291.26733	17.7
309.21454	1.2
309.27893	28.0
311.37698	1.4
311.41315	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	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03923	3.9
55.01864	3.4
55.05512	17.2
57.03412	6.0
57.07059	2.1
60.74454	1.5
65.03925	2.3
67.05502	49.1
69.03415	1.9
69.07066	19.3
69.33750	3.2
69.34152	14.0
71.04976	3.6
71.08252	2.2
71.08629	53.9
79.05493	43.3
81.03407	10.4
81.07050	56.2
81.07529	2.7
83.04972	11.3
83.07206	1.5
83.08619	10.5
85.06524	4.2
91.05479	29.5
93.07037	56.3
95.04977	9.8
95.08599	41.2
97.06537	11.1
97.10150	6.4
99.08089	51.6
105.07027	21.0
107.04931	5.8
107.08586	33.3
107.47939	1.8
109.06496	6.0
109.10146	15.7
111.08076	3.3
113.09589	2.6
116.27468	1.5
117.06993	3.5
117.78989	1.6
119.08568	14.4
121.06519	1.9
121.10138	30.1
123.08049	2.3
123.11690	1.6
125.09730	2.1
127.11137	2.3
129.07024	2.3
131.08571	6.3
133.10144	13.4
135.11678	39.7
136.11929	1.6
137.09595	5.8
141.09100	2.6
143.08546	4.4
145.10100	4.7
147.11673	6.0
149.13254	10.5
151.11160	21.5
153.12695	2.9
157.10017	2.5
159.11696	4.3
161.13290	13.3
163.11163	8.1
165.12692	2.0
167.10646	2.2
171.11668	2.5
173.13280	2.4
175.14845	2.7
177.12712	5.4
179.14296	100.0
180.14595	3.4
185.13177	2.0
195.13802	2.4
199.14795	2.0
221.15456	2.5
235.16879	3.7
241.19638	2.2
259.20575	4.8
277.21616	51.3
280.83331	1.6
293.57770	1.6
309.24194	3.4
310.07089	2.0
312.13287	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	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	20.3
55.01860	7.6
55.05507	32.3
57.03417	3.1
57.07067	6.1
58.43539	2.6
59.04995	3.8
61.66393	2.6
66.89217	3.0
67.05502	67.3
69.03436	3.2
69.07067	38.8
69.30073	30.2
70.50551	2.3
71.04939	2.5
71.08619	6.6
79.05493	38.9
81.03414	68.9
81.07053	70.0
83.04977	23.9
83.08618	13.7
85.06541	3.8
85.10162	4.2
91.05479	26.4
93.07037	46.7
95.04961	41.9
95.08594	24.6
97.06516	7.5
97.10146	16.5
98.21513	5.3
99.08125	6.4
105.07033	24.0
107.08588	31.6
109.06501	9.5
109.10151	19.9
113.09577	4.0
116.86517	2.5
117.07034	5.7
119.08565	15.8
121.10155	14.0
123.08060	4.4
123.11720	7.3
125.09633	19.2
131.08534	7.1
133.10106	18.1
135.08037	4.6
135.11673	10.0
143.08597	3.2
147.04312	3.1
147.11670	12.7
149.13248	9.5
151.11194	47.8
153.09102	4.8
159.11732	2.9
161.13228	13.7
163.14783	5.1
165.12743	9.8
171.10297	4.0
171.11682	6.1
175.14929	4.1
179.14293	6.8
185.13300	3.8
189.12726	3.0
203.12819	9.3
207.13803	5.0
221.15462	3.2
231.21123	11.7
241.19511	4.1
249.22142	7.6
259.20529	9.9
277.21613	100.0
309.24072	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	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03943	5.2
53.64100	1.8
55.01870	7.2
55.05512	90.0
57.03440	34.6
57.07069	9.7
59.04996	3.3
59.24070	2.0
59.76910	1.8
65.03925	2.8
67.05502	61.4
69.07067	100.0
71.04980	4.0
71.08633	3.7
71.58643	3.3
73.13995	2.0
79.05492	19.2
81.07055	71.3
83.04967	7.5
83.08618	57.3
85.06567	2.2
91.05482	17.7
93.07039	40.8
95.04959	24.4
95.08604	76.8
97.06541	10.3
97.10164	33.9
99.08121	3.7
103.05444	3.0
105.07021	31.6
107.08580	18.2
109.06507	3.0
109.10149	35.2
111.11734	7.5
117.07008	5.1
119.08576	25.2
121.06503	3.4
121.10138	33.0
123.04433	2.4
123.08072	5.9
123.11694	6.9
128.06233	3.1
129.07028	3.8
131.08588	12.2
133.10123	17.7
135.11685	9.2
142.07803	5.3
143.08586	8.4
144.09314	2.3
145.10123	15.6
147.11694	7.2
149.13229	2.5
151.11168	2.2
155.08577	5.8
156.09355	3.3
157.10101	14.9
159.11667	11.6
161.09624	4.0
161.13297	4.4
167.08459	3.0
169.10103	8.8
171.11635	5.3
173.13280	8.6
181.10110	2.8
183.11693	5.8
185.13303	5.4
187.11124	2.5
187.14836	5.4
195.11745	4.1
196.12537	2.7
197.13287	5.3
199.14755	2.9
207.11649	4.1
209.13216	4.1
211.14819	7.9
223.14842	4.3
225.16313	2.8
235.14735	3.2
249.16409	3.5
253.15775	4.1
277.21646	3.1
281.22775	3.5
291.21021	5.0
309.21191	4.2
309.24597	96.2
309.28952	6.4
310.24911	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	309.221
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03930	7.8
55.01868	8.3
55.05516	100.0
57.03444	32.5
57.07082	6.5
67.05507	73.8
68.69970	3.9
69.03432	4.0
69.07070	90.7
69.80050	25.3
71.08641	4.4
79.05482	41.7
81.03407	4.9
81.06600	5.5
81.07053	87.6
83.04945	5.8
83.08619	53.9
85.91882	4.4
91.05487	42.1
93.07047	45.0
95.04970	38.8
95.08609	76.9
97.06523	13.7
97.10160	24.0
98.20857	5.4
98.23573	4.0
103.05435	4.8
105.07035	65.6
107.08611	28.1
109.06500	8.5
109.10161	39.3
111.11766	6.0
115.07616	3.4
117.07026	11.1
119.08555	47.1
120.09238	4.3
121.06497	6.4
121.10145	69.0
123.08056	6.2
123.11718	15.3
129.06987	11.2
131.08589	24.2
133.10143	31.1
135.08041	4.6
135.11688	15.5
137.13223	3.6
141.06972	8.1
142.07764	14.1
143.08546	25.9
144.09331	6.0
145.10115	37.4
147.08038	4.8
147.11647	7.7
155.08554	12.5
156.09334	10.2
157.10124	33.9
158.10857	5.6
159.11700	29.7
161.09543	5.3
161.13243	7.7
169.10049	13.8
170.10869	4.6
171.11630	20.6
173.09610	4.3
173.13243	16.5
175.14784	8.6
179.08629	6.1
181.10022	6.3
183.11684	13.4
185.13214	10.3
187.11217	9.4
187.14813	12.7
193.12224	4.4
195.11755	6.3
197.13220	9.0
199.14832	5.3
206.10786	5.9
207.11621	9.4
209.13246	13.2
211.14787	16.2
218.86868	4.1
221.13080	4.0
223.14752	7.1
225.16295	7.8
235.14844	5.6
239.14311	4.8
253.15898	4.7
281.22614	8.0
291.20804	13.4
301.74878	4.0
309.21649	31.8
309.24234	70.4
309.28937	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	5.5
55.01872	18.1
55.05511	32.3
57.03431	5.3
57.07071	2.8
65.03941	2.5
67.05503	71.1
69.03432	5.7
69.07066	29.5
70.07404	2.1
70.28268	1.8
71.04987	7.4
79.05019	2.3
79.05488	45.9
80.05836	2.3
81.03404	6.1
81.07051	91.1
82.07361	3.1
83.01331	2.7
83.04970	16.1
83.08607	11.9
85.06526	6.2
91.04896	4.0
91.05476	55.5
93.03365	2.4
93.07040	46.8
95.04959	13.4
95.08605	36.4
96.08982	2.0
97.06535	6.2
97.10152	4.9
98.20731	4.1
99.04443	5.6
105.07031	50.0
106.66076	2.0
107.04955	10.5
107.08592	51.8
109.06522	10.8
109.10152	78.5
111.04446	6.9
111.08100	9.9
117.07014	8.7
119.04972	2.7
119.08575	19.6
121.06533	12.8
121.10143	13.5
123.04415	4.0
123.08068	9.1
123.11689	11.4
125.06017	2.3
125.09608	6.5
127.07537	5.1
129.07016	4.3
131.08568	11.6
133.06490	6.9
133.10120	100.0
135.08061	6.7
135.11703	7.6
137.05983	4.8
137.09575	3.6
138.29387	2.1
139.07535	8.7
143.08534	4.1
145.10133	10.1
147.08052	13.0
147.11653	5.8
149.09610	6.9
149.13275	2.6
151.11185	51.1
157.10120	6.0
158.71805	2.3
159.08078	4.3
159.11714	3.6
161.09633	12.8
161.13277	5.0
163.11160	2.8
169.12242	12.0
171.11687	8.1
175.11171	5.9
177.09053	2.5
179.10713	5.4
189.12700	3.3
193.12296	2.8
203.14354	2.6
207.13799	4.2
215.12729	3.3
217.12180	4.6
227.17897	5.6
245.19006	13.9
255.17361	4.8
263.20081	14.0
273.18503	30.1
291.19464	66.4
291.22406	3.8
309.20590	25.1
309.24243	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03946	2.4
55.01873	4.4
55.05510	29.3
57.03435	1.5
65.03955	1.9
67.05502	19.2
69.03423	5.5
69.07074	14.3
70.22787	5.4
70.23207	2.4
79.05494	14.3
81.03406	3.5
81.07051	24.9
83.04976	5.7
83.08624	12.5
84.08101	2.1
86.09692	3.9
91.04984	1.8
91.05445	8.3
93.07040	13.6
95.04961	5.7
95.08624	9.2
97.02927	1.8
97.06565	2.6
97.10162	21.7
97.57976	1.5
99.08109	1.7
104.10737	1.6
105.07048	9.8
107.04957	4.5
107.08602	11.2
109.02916	2.6
109.06534	2.2
109.10139	6.0
111.08084	3.2
117.07021	2.6
119.04861	1.7
119.08565	7.6
121.06458	3.3
121.10155	3.8
123.08073	6.3
123.11699	1.8
125.09621	19.9
129.07045	2.6
131.08569	4.4
133.06468	2.9
133.10146	3.9
135.08046	4.0
135.11687	3.5
137.05952	2.5
137.09676	2.1
145.10139	4.9
147.08086	4.5
147.11685	2.5
149.09665	2.7
159.11781	1.5
161.09595	2.0
163.11195	3.4
165.09085	3.9
175.11166	2.7
189.11180	10.4
223.13234	2.3
245.19043	2.1
261.98709	1.6
273.18454	11.0
291.19516	100.0
292.19861	7.0
309.20599	5.0
309.24167	1.9
318.26276	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	309.206
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03936	2.9
54.12442	1.5
55.01867	4.2
55.05509	11.8
57.03427	4.9
57.07071	4.0
67.05501	23.1
67.91643	1.7
69.07063	8.1
70.06622	2.0
71.04980	2.7
71.08624	3.0
71.18802	3.4
71.19178	3.2
79.05489	10.7
81.03418	4.1
81.07048	32.1
83.04989	4.5
83.08624	5.7
84.04628	1.4
85.02922	1.6
85.06546	4.3
88.56758	1.5
91.05474	8.6
93.07041	11.8
95.04964	6.7
95.08601	19.2
97.10172	4.8
99.08096	3.0
105.07033	6.7
107.08637	8.0
109.06511	5.5
109.10148	7.2
111.04439	10.0
111.08121	2.0
117.07024	4.1
119.08595	7.4
119.93288	1.6
121.10157	4.9
123.03710	1.5
123.04426	9.8
123.08085	4.7
123.11720	2.8
124.05250	2.0
125.09585	1.6
125.17245	1.5
131.08578	1.7
133.10121	4.5
135.08069	2.4
135.11734	3.4
137.06018	8.6
137.09641	3.6
137.13281	2.4
139.07602	2.3
145.10135	4.3
147.08070	1.7
161.13269	2.4
163.11163	2.6
165.09122	2.5
167.10675	1.9
167.46899	1.7
173.09596	1.8
189.11267	1.6
193.12297	5.9
227.12878	2.5
247.09106	1.9
273.18588	6.3
291.19522	25.6
291.22626	2.9
309.20651	100.0
309.24255	15.8
310.21075	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	309.2057
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01863	4.8
55.05506	5.3
57.03160	2.7
57.03431	37.1
57.07064	2.6
60.71045	1.6
65.03932	2.2
66.64964	1.5
67.05499	31.3
69.03433	2.0
69.07058	3.9
70.76386	5.9
71.04981	5.3
79.05492	14.5
81.03408	2.7
81.07063	14.7
83.04973	1.8
83.08620	4.3
85.06538	37.0
91.05483	15.4
93.07030	10.1
95.04963	44.3
95.08603	6.1
97.06506	2.8
105.07029	10.3
107.04943	3.5
107.08618	10.5
109.06512	37.9
109.10161	2.4
113.06002	100.0
114.06322	3.5
117.07037	6.3
119.08562	6.6
121.06481	2.6
121.10143	3.5
123.08063	3.2
129.07014	6.0
131.08572	7.3
133.10132	4.5
135.08047	29.8
135.11736	4.3
143.08534	4.0
145.10106	6.2
147.08049	3.3
149.09602	4.8
149.13289	2.9
157.10091	3.2
159.11656	3.5
161.09631	5.0
163.11200	2.4
166.74287	2.1
175.11130	2.5
199.14793	2.9
217.15874	11.9
246.42094	1.7
273.18506	17.2
291.19547	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	2.4
55.01871	30.0
55.05508	15.9
57.03434	9.9
65.03936	2.5
67.03181	0.9
67.05502	39.0
69.03419	3.3
69.07067	13.0
70.06583	1.6
70.97787	2.2
70.98138	1.0
71.04980	3.9
79.05487	16.6
81.03415	7.5
81.07055	23.6
81.30406	1.0
83.04974	33.8
83.08621	7.0
84.08144	1.3
85.02908	1.9
85.06532	3.3
91.05476	21.9
93.03432	1.0
93.07039	22.8
95.04955	13.2
95.08602	24.7
97.06525	19.0
97.10163	4.3
99.04453	22.3
99.08086	2.1
104.45103	0.8
105.07027	15.4
107.04960	10.4
107.08586	14.8
109.06524	6.9
109.10150	20.3
110.10390	1.0
111.04436	100.0
111.08054	4.3
112.04766	1.7
113.05981	1.8
115.05516	0.9
117.07004	5.1
118.07303	1.0
119.08554	9.2
121.06496	4.8
121.10141	6.1
123.07265	1.3
123.08049	6.4
123.11695	2.7
125.09612	5.0
127.07555	0.9
129.06990	1.7
131.08575	7.9
133.06496	2.2
133.10117	18.9
135.08044	6.8
135.11662	2.8
137.09598	8.7
142.07742	1.0
143.08559	3.9
145.10126	4.2
147.08066	2.6
147.11717	2.6
149.09618	7.1
151.11182	7.8
153.09106	16.6
157.10086	2.6
159.11703	3.7
161.09625	8.0
161.13150	1.3
163.11177	2.1
169.12311	1.8
171.11665	2.4
173.11711	2.5
173.13251	2.3
175.11194	5.7
179.10649	2.7
181.12294	1.1
182.93361	1.0
185.13203	1.3
189.11235	1.8
189.12834	1.5
193.12245	3.2
199.14777	2.0
203.10641	1.1
203.14334	1.2
207.13821	1.3
213.12769	1.0
217.15854	2.9
227.17931	1.9
231.14024	0.9
233.06033	1.0
235.16936	2.4
245.18951	2.0
249.14809	2.5
254.53873	1.0
255.17470	1.3
263.20078	4.3
267.16028	1.3
273.18445	15.3
291.19537	26.8
309.20578	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03923	5.2
55.01872	18.0
55.05243	2.9
55.05510	54.3
55.13521	1.5
56.25969	1.3
57.03431	9.2
57.07058	2.8
59.04992	1.7
59.34472	1.4
65.03932	2.9
67.05504	44.2
69.03414	4.2
69.06692	1.6
69.07066	26.1
70.57632	4.9
71.04991	7.6
72.08127	1.9
72.66128	1.3
73.02938	1.6
79.05496	45.9
81.03418	20.1
81.07053	100.0
82.07369	2.6
83.04977	18.6
83.08156	2.5
83.08617	30.6
85.02902	5.7
85.06537	2.6
86.09695	2.7
91.05476	22.4
93.06489	2.6
93.07041	40.7
95.04969	20.9
95.08607	28.6
97.02885	2.3
97.06535	15.6
97.10163	40.1
99.04455	4.5
99.08092	6.0
105.07024	22.4
107.04974	7.6
107.08593	23.1
108.52524	1.4
108.99022	1.6
109.06543	12.8
109.10162	16.2
111.03728	2.0
111.04449	24.5
111.08069	10.6
113.06011	1.8
115.05507	1.6
117.06986	10.3
119.08567	21.8
121.06522	7.9
121.10138	13.0
123.04440	3.3
123.08064	37.4
123.11714	2.0
125.05976	2.0
125.09628	34.3
129.07007	3.6
131.08543	13.1
133.06485	3.4
133.10098	7.9
135.08063	9.3
135.11717	9.4
137.09624	10.7
139.11143	3.2
143.08533	3.6
145.06407	1.4
145.10136	9.5
147.04388	6.8
147.08069	9.0
147.11697	9.8
149.09633	8.1
149.13258	2.2
151.11113	3.1
153.09123	6.6
153.12709	4.5
155.08495	1.5
156.99684	1.6
157.10100	6.9
159.11659	4.2
161.09607	3.1
163.11182	24.7
165.09077	12.3
165.12778	2.2
171.11789	2.2
175.11119	7.2
177.12714	3.2
179.10567	2.1
181.12282	9.1
189.11235	24.5
189.12759	2.0
191.10628	6.4
193.12234	14.6
205.12244	2.0
209.11758	2.1
211.13225	5.3
217.15727	1.9
223.13210	6.5
227.12769	4.1
227.17841	3.4
237.18599	1.7
245.18967	4.9
255.17496	4.1
263.20050	5.1
273.18460	23.1
291.19537	70.7
292.20068	1.7
309.07571	2.5
309.20471	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01858	16.8
55.05511	56.7
57.03438	9.7
67.05500	46.8
69.03421	9.9
69.07061	28.1
70.06579	5.2
71.04993	9.2
71.60249	8.7
79.05489	53.2
81.03406	19.0
81.07049	100.0
83.04978	24.2
83.08613	38.7
91.05473	32.0
93.07038	38.5
95.04967	30.1
95.08607	35.5
97.06528	8.6
97.10161	38.4
99.25832	4.2
105.07022	22.4
107.04953	13.0
107.08594	37.6
109.06527	8.5
109.10136	17.8
111.04419	16.1
111.08076	16.0
117.06988	7.8
118.79115	4.2
119.08574	25.9
121.06503	12.5
121.10113	15.5
121.42758	4.3
123.04441	5.8
123.08064	40.8
125.09637	25.7
129.25504	4.6
131.08549	14.1
133.10141	15.4
135.08041	11.6
135.11661	12.8
137.09636	25.1
139.11142	6.8
139.38098	4.8
145.10126	13.6
147.08041	9.2
147.11656	8.9
149.09586	12.6
149.13118	5.1
159.11739	8.3
161.09688	5.7
161.13249	5.2
163.11154	22.4
165.09004	9.7
165.12733	4.6
171.11674	5.0
175.11235	7.6
181.12206	6.3
189.11246	19.8
189.12692	5.0
191.10669	7.7
193.12183	17.3
211.13242	7.1
227.12849	6.0
227.18036	4.8
232.59288	4.7
249.15015	4.2
254.28868	4.4
263.19986	5.4
273.18491	26.4
291.19568	74.8
292.19855	5.4
309.20667	25.1
309.23700	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	309.1079
Annotation	Indicaxanthin
Peak:m/z	Relative Intensity
59.40405	0.3
66.80201	0.4
68.05014	1.8
69.70400	0.3
70.06216	0.5
70.06588	10.3
70.86889	0.8
70.87225	0.5
72.08137	0.4
72.85094	0.4
79.05475	1.7
80.05022	2.3
80.29216	0.3
82.06569	1.0
84.08128	0.9
84.31092	0.4
91.05451	0.7
91.30674	0.4
93.05743	0.5
94.06539	1.5
96.04482	0.9
96.08128	2.4
98.06030	1.3
100.07619	1.0
104.04982	3.2
106.06552	8.3
108.08105	2.6
114.05512	1.6
116.07061	1.5
118.06513	0.8
119.06102	0.4
120.04426	0.4
120.08091	3.3
122.06016	1.6
122.09640	0.4
122.16908	0.4
124.03952	1.1
128.07043	1.0
130.06516	0.6
132.04433	1.8
132.08092	0.8
134.06035	1.8
134.09647	1.3
138.05562	0.5
145.07599	4.1
146.09688	0.6
147.05470	0.5
147.09140	0.6
148.03912	0.5
148.07536	0.6
148.11200	0.9
150.05504	5.0
151.06219	0.4
152.07072	2.7
154.08688	0.5
156.08075	0.4
158.09622	0.9
160.07547	0.4
160.11198	0.4
163.08627	1.6
164.07066	0.9
166.04977	1.5
166.08600	2.1
168.02933	0.9
168.06551	0.7
171.09177	1.7
173.10783	2.6
175.12302	3.1
178.08623	1.2
189.10239	4.5
190.08661	0.7
191.08131	1.7
191.11800	1.1
192.10217	0.5
194.04472	1.7
196.06026	0.8
199.08633	0.7
201.10248	0.6
204.10243	0.8
205.00435	0.4
209.65378	0.4
217.09711	6.3
219.11279	3.5
221.12807	0.5
222.07550	0.7
235.10747	4.3
263.10260	9.8
264.11069	0.5
265.11780	2.4
309.10788	100.0
310.11105	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	309.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01875	0.8
55.05497	2.1
56.02160	0.6
56.05034	3.2
57.03432	0.6
60.04508	1.7
60.05640	0.6
65.03935	2.2
67.05502	14.4
68.05019	1.6
69.03409	1.8
69.07070	4.5
69.52711	0.5
70.02962	0.8
70.06590	11.3
70.69954	1.0
70.70329	1.1
71.05023	0.6
72.08159	8.6
74.06066	3.1
76.02206	1.6
79.05474	1.8
80.05003	1.3
81.03413	4.5
81.07054	1.9
82.06572	6.0
83.04978	1.8
83.06100	1.0
84.04498	6.9
84.08138	15.8
85.02893	1.6
85.04828	0.7
85.08485	1.0
85.88834	0.6
86.09703	19.6
87.05607	0.9
87.10035	1.3
87.79193	0.6
88.03975	1.8
91.05466	5.4
92.04996	1.2
93.03400	3.4
93.07047	1.6
94.06587	0.9
95.04969	7.6
95.08566	0.6
96.04480	12.2
97.06509	0.9
98.06039	1.4
101.07113	0.6
102.05553	1.6
103.05455	1.1
104.05219	0.5
105.07044	1.0
106.06551	1.2
107.04938	1.6
108.08092	3.1
109.02789	0.8
109.06496	1.6
110.06035	34.1
110.07127	3.8
111.04432	2.0
112.07571	0.8
112.08734	1.4
115.08669	0.6
116.07071	1.9
117.03401	1.0
119.04926	2.0
120.08098	5.9
121.02853	1.0
122.06061	1.4
123.04408	1.1
124.07590	5.2
126.05495	1.7
128.07114	1.2
129.05505	0.7
129.10237	8.5
130.04977	0.9
130.06517	2.0
130.08638	0.9
130.10605	0.6
131.04889	0.5
131.06856	2.3
131.66116	0.5
132.04434	1.0
132.10229	0.6
133.06499	0.5
134.04620	1.0
134.05984	0.8
135.04424	1.2
136.07570	72.9
137.05989	2.8
137.07935	0.8
138.05490	45.7
139.03896	1.9
140.07056	2.0
141.05391	1.0
144.06577	1.0
144.08034	0.6
144.10266	0.8
145.02847	4.2
147.04398	7.7
148.07585	0.9
149.05942	1.7
150.05482	1.4
152.07060	5.8
154.08621	100.0
155.09001	1.2
156.06538	27.4
158.05989	1.0
159.06409	1.0
163.03862	1.0
164.07060	1.7
165.02332	3.2
166.08617	1.3
170.09682	0.6
172.11218	0.7
174.09140	1.1
175.07533	1.0
175.12053	0.8
176.07051	1.6
177.05460	11.1
177.07336	2.4
178.03230	1.7
182.04948	2.8
186.09155	1.6
190.08624	1.8
190.12129	0.6
197.12971	0.7
200.10719	1.9
201.09035	1.3
202.08681	1.1
203.07086	0.9
204.06532	0.7
205.04289	0.6
205.06834	0.7
206.02661	0.7
206.08229	0.6
207.06519	1.8
208.02870	29.3
218.08014	1.7
218.11801	1.2
220.06689	0.7
220.09863	0.6
222.07813	0.8
223.07755	0.8
227.08292	0.7
227.11691	0.6
228.10181	2.6
229.08455	1.0
230.08034	0.9
237.09180	1.0
246.08896	0.8
246.11145	5.1
247.09431	1.3
248.09140	0.7
249.12418	1.2
255.11337	1.1
256.09790	1.3
260.11575	1.1
265.05066	2.2
273.12292	4.5
274.10745	7.6
291.11371	0.6
291.13583	4.4
292.11734	13.6
309.07513	7.8
309.10980	2.5
309.14420	39.4
310.14743	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	309.1079
Annotation	Indicaxanthin
Peak:m/z	Relative Intensity
53.49154	0.2
55.96963	0.2
65.03917	0.3
65.79441	0.2
68.05040	1.5
70.06590	9.8
70.66084	0.6
72.08136	0.3
78.04785	0.2
79.05491	1.7
80.05015	2.0
82.06567	0.9
84.08122	0.8
91.05479	0.7
93.05768	0.6
94.06593	1.2
94.93002	0.4
95.04940	0.2
96.04478	0.5
96.08143	2.2
98.06065	1.3
100.07609	1.0
103.85191	0.2
104.04980	2.4
105.03378	0.3
106.06551	8.7
107.07352	0.3
108.04438	0.2
108.08115	2.8
110.06065	0.3
113.05892	0.2
114.05527	1.9
116.07081	1.8
117.05729	0.3
118.06506	0.6
119.06055	0.4
120.04438	0.5
120.08119	2.6
121.07630	0.3
122.06035	1.6
124.03943	1.5
128.07071	1.0
130.04985	0.4
130.31070	0.3
132.04454	1.8
132.08076	1.0
134.06029	1.6
134.09639	1.3
135.04393	0.3
135.27843	0.3
138.05478	0.5
140.07028	0.5
142.08644	0.4
145.07600	3.5
146.09641	0.7
147.09155	0.9
148.03931	0.7
148.07582	0.4
148.11192	0.8
150.05510	5.4
151.06250	0.4
152.07048	3.2
154.06451	0.3
156.08052	0.4
158.08421	0.3
158.09598	1.2
159.21460	0.2
160.07561	0.7
160.11221	0.8
161.10675	0.4
163.08636	1.0
164.07080	1.3
166.03755	0.3
166.04973	1.3
166.08638	2.1
168.02925	0.8
168.06584	0.5
171.09209	1.8
173.10722	2.5
174.09137	0.4
175.12317	3.0
176.07086	0.7
178.08627	1.0
186.09081	0.5
189.10220	4.1
190.08672	0.5
190.10428	0.3
191.08162	1.7
191.11806	1.0
192.10332	0.6
194.04478	1.2
194.44653	0.2
196.06041	0.8
199.08687	0.6
201.10205	0.8
202.08638	0.7
204.10191	1.0
204.88931	3.7
217.09705	6.1
218.10408	0.3
219.11273	3.6
221.12793	1.0
222.07587	0.5
235.10745	4.0
247.10767	0.4
248.09140	0.4
263.10254	10.7
264.10754	0.3
265.11859	2.6
309.10794	100.0
310.11148	2.4
330.19711	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	308.2219
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
51.02379	2.2
53.03941	11.1
54.03464	1.8
55.01865	7.2
55.05511	86.2
56.05029	2.2
57.07079	2.4
58.99594	1.5
59.05003	2.8
65.03941	5.9
67.05506	28.9
68.05031	1.8
69.03439	2.3
69.07068	34.9
70.06590	2.0
70.98343	4.7
71.04980	2.1
75.73870	1.5
76.02242	8.0
77.03942	2.0
79.05494	100.0
79.64785	1.5
80.05019	8.2
81.03397	1.5
81.07053	30.8
82.06589	16.8
83.04987	4.5
83.08617	29.0
84.04473	3.7
85.06564	2.0
91.05479	38.6
92.05009	14.9
93.05801	6.6
93.07047	64.6
94.06573	10.6
95.04973	12.7
95.08603	6.0
95.48692	1.9
95.53328	1.7
97.10171	45.4
98.06050	1.7
98.98436	1.7
103.05470	2.5
105.04508	3.6
105.07037	12.4
106.06558	23.0
107.07331	3.7
107.08579	21.4
108.08140	3.0
109.10128	2.2
110.06013	3.9
116.06296	2.3
117.07017	6.3
118.06596	9.6
119.07354	3.6
119.08592	3.9
120.08124	10.6
121.10141	14.1
124.11287	1.5
125.09628	35.0
129.07034	2.0
130.04979	1.6
131.08533	12.5
132.08073	5.4
133.08867	2.9
134.09651	5.2
137.06000	3.2
143.10680	4.7
145.10188	1.9
146.09625	3.9
148.11209	49.1
151.36752	1.4
159.11745	4.6
162.02191	3.1
162.12892	2.2
176.14377	12.4
186.12781	2.4
204.13869	11.9
222.14943	12.3
276.20013	1.9
290.21140	32.9
291.21744	2.4
308.22433	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	308.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25680	1.8
50.94654	1.8
51.02359	1.9
53.03954	9.8
55.01866	6.2
55.05510	55.7
56.05037	4.1
57.03426	4.2
57.07055	4.2
65.03931	8.5
67.04231	2.2
67.05190	3.3
67.05505	43.3
68.04999	3.8
69.03408	2.2
69.07067	100.0
69.79165	12.2
70.06583	3.9
70.07391	2.6
71.04969	3.7
75.08121	1.7
76.02191	3.8
79.05489	61.2
80.05016	16.8
81.03405	2.5
81.07051	42.0
82.06554	7.1
83.04964	5.5
83.08612	29.7
84.04516	4.1
84.08147	3.8
91.05481	36.2
92.05000	15.7
93.05772	15.4
93.07042	41.1
94.06580	10.9
95.04978	15.2
95.07349	2.0
95.08614	19.6
96.04472	6.0
96.08109	2.5
97.10155	24.0
98.06040	7.7
105.07007	15.1
106.06548	27.4
107.07313	5.7
107.08586	17.2
108.08091	7.7
109.06472	4.2
109.10130	10.7
110.06065	3.5
113.99964	1.9
117.07017	19.1
118.06551	10.8
119.07294	3.8
119.08578	7.3
120.08107	17.4
121.10155	9.5
121.93061	2.0
122.06023	2.7
122.09678	3.6
123.08020	2.4
124.11206	3.6
125.09615	15.7
129.07027	5.2
130.06546	2.5
131.08553	14.8
132.08081	8.4
133.08856	4.2
133.10106	5.8
134.09595	10.6
135.08009	2.0
135.10307	2.4
135.11696	3.1
136.07582	2.6
138.12743	3.8
139.66571	1.8
143.08498	2.1
143.10608	2.2
144.08092	2.9
146.09581	4.1
147.10484	2.5
147.11629	3.2
148.11206	84.7
158.09669	2.0
159.11664	9.8
162.02138	2.1
162.12773	5.5
165.12726	4.8
166.13077	8.0
169.10100	2.9
176.14330	32.6
179.04758	2.1
186.12709	9.3
204.13849	32.8
213.81462	1.9
220.13440	2.8
222.14882	31.5
269.94739	2.2
272.20105	3.6
284.26126	2.1
290.21149	76.6
291.21570	4.1
308.22290	29.2
308.28540	19.9
309.24283	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	308.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01852	1.5
55.05514	5.7
56.05833	0.9
56.96569	1.7
57.03427	3.2
57.07065	1.9
58.99580	1.3
60.95242	0.7
67.05502	13.2
69.03425	2.1
69.07065	18.0
70.04086	1.2
70.06577	1.5
70.07377	1.3
71.04974	1.9
71.27251	1.8
72.08164	1.5
74.02439	0.9
76.02228	9.5
79.05491	26.7
81.03436	1.1
81.07056	22.4
81.07533	1.2
82.07386	1.9
83.04974	1.8
83.08617	5.1
84.04494	4.4
84.08142	3.1
85.02901	0.9
85.06540	2.5
86.06085	1.2
86.09704	100.0
87.10045	1.7
91.05473	12.6
93.07040	42.5
94.07382	3.1
95.04957	7.5
95.08604	13.3
95.46524	0.8
96.05301	0.8
96.08926	1.2
97.06525	2.8
97.10165	2.3
98.97590	3.6
99.08138	0.9
102.50367	0.8
105.07020	8.1
107.04948	2.3
107.08595	25.5
108.08929	1.3
109.02836	1.0
109.06515	3.4
109.10154	4.5
111.08071	1.8
111.11731	0.9
112.99179	1.0
113.06010	8.7
113.60457	0.8
116.01678	1.8
116.98604	2.3
117.02371	0.9
117.07013	3.6
119.08572	5.3
120.25102	0.7
121.06492	1.6
121.10145	6.7
122.10496	2.2
123.04448	1.0
123.08063	1.6
123.11716	2.9
130.05022	1.2
131.00159	1.1
131.08580	5.5
132.10197	54.6
133.10129	9.9
134.99615	1.1
135.08107	3.8
135.11682	27.2
136.12001	1.5
137.06027	1.4
137.13240	1.4
142.03166	0.9
144.01183	1.7
147.04388	4.4
147.11688	1.6
149.01201	1.5
149.13260	22.4
151.14844	3.4
158.99654	0.9
159.11668	4.9
162.02171	3.2
167.74660	0.8
173.01375	1.0
177.00673	1.9
177.12741	15.1
178.91875	0.8
179.04877	5.0
179.14482	0.8
191.02386	1.6
233.05916	1.3
235.13293	1.3
244.99841	1.0
262.21634	19.2
269.35892	0.9
273.18317	1.2
290.20963	1.4
290.25565	1.1
291.19562	2.1
293.07541	1.0
297.39734	0.8
308.10110	1.5
308.22198	32.7
308.26038	1.5
309.11060	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	308.2218
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05503	1.0
57.07065	0.6
58.29160	0.5
67.05494	1.4
68.95757	0.5
69.07057	1.7
69.35353	5.1
70.04060	0.8
71.08660	0.8
76.02228	0.9
79.05487	1.0
81.07046	3.1
88.42944	0.5
90.89272	0.4
91.05471	1.2
93.07048	1.1
94.04187	1.4
95.08601	2.0
99.08069	0.5
107.04914	1.0
107.08562	0.5
108.37081	0.5
109.06546	0.9
109.10117	1.1
122.03653	6.4
125.09605	0.5
133.10054	0.6
135.28815	0.5
137.05972	100.0
137.13277	0.9
138.06313	3.4
166.99275	0.5
172.16971	0.9
184.17000	2.1
234.40352	0.5
245.11650	0.5
253.78223	0.5
291.19644	0.8
291.23138	1.3
308.22565	0.8
308.25961	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	308.1856
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
54.95783	0.5
55.01867	0.7
55.05513	3.5
56.05032	0.9
58.99580	1.1
60.04522	0.9
60.05647	0.6
60.92868	0.6
63.30161	0.5
67.05505	2.1
69.03422	0.8
69.07072	3.0
69.43620	3.6
70.06598	5.8
72.08152	6.6
76.02225	5.7
78.04693	0.8
79.05500	1.5
81.03397	0.9
81.07061	1.9
83.08622	1.7
84.04499	4.3
84.08139	9.8
86.09702	7.2
89.53555	0.5
91.05474	3.6
93.07041	2.4
95.04963	0.6
95.08614	2.9
97.06540	0.9
97.10151	0.7
103.05461	12.0
105.07056	1.0
106.04166	0.6
109.02877	0.5
109.10172	0.6
110.07166	1.6
111.08136	0.5
115.05456	0.9
115.08641	0.5
116.01698	1.2
116.07119	0.6
117.07019	6.2
119.04941	1.7
120.08104	7.1
121.06516	2.7
123.04419	9.2
124.05277	0.8
124.07607	1.9
129.07031	0.7
129.10237	6.4
130.05019	0.8
131.04922	27.9
131.08568	1.9
133.06544	0.9
135.06364	0.5
136.07584	1.2
137.05974	11.9
137.06967	1.0
137.09633	0.9
142.03271	0.7
142.08612	2.8
144.05740	0.7
144.10188	2.1
145.06482	17.0
147.04414	10.6
148.05194	0.8
149.05978	73.9
150.06396	1.1
151.07545	0.9
152.04630	0.8
157.06456	3.4
159.08073	3.8
160.05080	0.6
161.05957	5.6
161.12830	1.3
162.02228	1.2
162.05484	1.8
162.06711	0.9
163.03911	1.9
163.07535	21.3
164.04193	1.1
164.06998	2.9
165.05486	7.1
166.08653	1.8
167.07039	40.4
171.08060	1.1
173.05997	4.3
175.07556	7.9
176.07083	1.9
177.05417	1.4
177.07837	45.4
177.09084	2.7
178.08565	1.3
179.04890	1.8
179.08862	0.8
181.06421	0.6
187.07579	2.0
189.09090	2.4
190.08702	0.6
195.07983	0.7
199.07542	1.6
209.13075	0.6
213.09113	1.4
218.07312	0.6
223.07497	1.0
223.12047	0.5
233.05855	0.7
234.06743	1.1
237.12779	1.8
245.15482	0.8
246.14911	17.8
247.15398	0.6
249.09146	1.1
251.07016	3.0
255.13828	4.2
262.06247	1.1
266.09402	1.2
266.12122	0.5
273.14835	9.4
277.08701	2.7
279.06506	2.2
281.36902	0.6
290.14160	1.3
290.17447	11.5
291.15872	8.5
293.07965	1.1
294.08856	7.7
308.13077	3.3
308.14841	6.0
308.18515	100.0
309.07773	1.2
309.11206	15.4
309.14807	1.1
309.18933	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	308.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03629	1.5
53.03929	2.5
55.05511	70.7
56.05016	6.7
58.99342	1.9
58.99584	22.0
60.04507	2.4
61.01123	2.1
62.04121	1.7
67.05489	2.8
69.03408	5.1
69.07052	4.7
69.88059	3.3
69.88467	6.8
70.02930	1.8
70.06589	18.6
72.08135	7.2
74.00653	6.8
74.06043	1.9
76.01781	4.0
76.02226	82.5
77.35452	1.9
79.05476	4.3
81.07040	5.3
81.94118	1.8
82.30911	1.5
83.08617	69.1
84.04495	17.9
84.08142	26.0
86.02415	6.0
86.09710	25.1
86.99030	3.8
87.00821	6.3
88.03979	14.5
91.05458	3.4
97.06517	1.8
98.00599	3.1
98.21502	2.5
99.02649	2.8
100.02209	11.3
100.03986	8.4
101.00597	4.9
101.09631	4.3
102.00137	17.2
103.05457	5.2
104.03503	2.0
105.00077	4.4
107.08566	4.0
110.02386	6.1
110.07153	4.9
115.05733	3.9
116.01656	9.0
117.00077	2.9
119.05000	2.0
120.01160	12.2
120.08091	21.3
122.02695	11.3
128.03447	24.0
129.07326	2.8
129.10237	12.7
130.04991	6.1
131.04909	5.8
135.93721	1.6
137.05988	6.0
141.07326	8.7
142.03192	2.4
144.01141	42.0
144.10197	8.2
145.02754	1.7
145.06436	2.9
146.04449	5.8
147.04405	9.9
148.00642	15.9
149.05977	13.6
152.07068	15.7
156.02936	13.0
159.08389	88.1
160.08684	2.2
161.12822	6.3
162.02200	94.9
162.05446	3.5
163.03886	5.3
163.07518	4.8
164.04158	6.3
164.24039	1.8
174.03978	100.0
176.07103	2.2
177.05505	2.9
177.07860	53.8
179.04834	13.5
190.01701	46.0
205.08728	2.0
208.02745	41.0
233.05859	4.8
244.09909	5.7
246.14946	26.4
273.14700	3.1
290.17401	9.5
308.11682	2.3
308.18546	34.3
309.11002	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	307.2626
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03934	2.9
55.01874	2.4
55.05272	1.6
55.05513	18.0
57.03416	2.3
57.07078	11.1
57.68634	1.4
61.63963	1.3
67.05503	24.7
69.03417	7.1
69.06684	3.3
69.07066	64.6
70.06591	6.8
70.87842	4.0
71.04982	4.4
71.08624	2.8
76.02234	2.8
79.05498	17.8
81.07055	100.0
83.04972	4.1
83.08628	11.2
84.08130	3.3
85.06527	5.2
86.09705	4.0
88.07633	2.2
91.05479	11.0
93.07043	46.5
95.04980	6.6
95.08609	42.5
97.06528	11.9
97.10140	6.6
99.08088	2.1
105.07037	16.8
107.07885	2.6
107.08585	38.2
109.06516	11.2
109.10150	28.8
111.08086	32.8
111.11716	11.3
117.06969	2.8
119.08600	9.0
120.08110	2.0
121.10155	18.8
123.08084	3.0
123.11712	29.6
125.09619	3.8
127.11119	2.0
131.08606	1.7
132.10172	2.8
133.10121	20.7
135.11708	8.9
137.05956	1.9
137.13226	8.2
139.11168	19.7
145.10106	3.7
147.11649	7.7
149.13263	10.0
151.11179	34.9
153.12787	2.6
159.11702	2.9
161.13231	3.1
162.02206	1.9
163.03963	8.2
163.14825	3.6
165.12808	7.1
169.12251	5.1
173.13234	3.0
174.99463	1.3
175.14835	4.3
177.16354	3.3
179.04848	2.8
181.12263	1.8
187.14856	1.5
189.16510	2.5
200.20090	2.6
201.13167	1.6
201.16336	2.0
201.20435	5.5
203.17908	1.7
207.17415	2.0
215.17932	3.2
244.22803	2.3
245.23045	14.0
271.24142	5.6
277.25494	2.0
289.25201	13.9
307.09656	1.9
307.26459	68.9
313.94785	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	307.2265
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.44976	0.8
55.01873	6.3
55.05507	12.9
57.03429	1.7
57.07059	1.4
65.03921	2.2
67.05501	13.4
69.03392	1.0
69.07067	12.5
71.04984	2.2
71.08618	1.3
71.25548	1.7
72.04518	1.5
79.05495	9.2
81.07051	20.3
83.04978	1.5
83.08614	4.5
85.06531	0.8
91.05473	5.7
93.07038	12.8
95.04965	10.4
95.08600	15.9
97.06519	8.6
97.10165	3.4
99.08067	1.1
105.07031	8.7
107.04939	1.1
107.08592	7.7
109.06509	86.0
109.10148	5.3
110.06841	1.0
111.08091	1.4
117.06998	1.2
119.08559	7.7
121.06513	5.4
121.10119	5.6
123.08064	6.0
123.11708	2.2
125.09580	1.1
131.08543	4.6
133.10121	5.0
135.08031	2.9
135.11647	1.7
137.09596	3.4
139.11153	1.6
139.84703	0.7
143.08522	1.4
145.10109	4.7
147.11682	3.6
149.09616	2.5
149.13327	1.5
151.11183	1.2
157.10081	1.2
159.11696	2.0
161.13292	1.2
163.11192	3.4
165.12750	8.6
171.11768	0.8
173.13222	3.6
191.14268	2.7
197.13286	1.0
202.38748	0.8
215.14352	1.1
221.15298	0.8
233.15340	2.4
251.16397	26.6
252.16739	0.8
261.22061	1.0
265.17969	1.1
271.20547	1.2
275.20050	1.3
289.21600	13.2
291.23215	3.5
307.22653	100.0
308.22894	3.8
308.25928	3.4
319.73141	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.00301	0.9
53.03941	3.2
55.01870	1.8
55.05512	16.8
57.03429	1.8
57.07082	6.7
65.03934	1.3
67.05141	1.5
67.05502	30.8
69.03428	13.4
69.07066	41.5
70.05725	4.6
70.06580	3.1
71.04974	4.6
71.08640	2.5
72.04388	0.9
72.08141	1.2
76.02205	4.0
79.05488	18.3
79.82066	0.9
81.07052	100.0
82.07393	1.0
83.04974	3.7
83.08620	10.0
84.04498	2.4
84.08102	1.2
85.06526	3.0
85.10225	1.0
86.09690	2.2
89.03916	2.5
91.05470	11.9
93.07036	35.5
95.04964	5.3
95.08603	74.1
97.02870	1.5
97.06527	6.5
97.10182	5.4
99.04440	1.3
99.08106	1.9
101.05978	1.2
105.07020	15.8
107.04954	1.8
107.08590	29.2
109.06518	4.5
109.10152	40.4
111.08086	7.1
111.11697	4.1
113.09608	1.2
115.07587	1.2
117.03348	2.7
117.06989	1.7
118.46300	0.9
119.08573	14.2
120.09008	0.9
121.06503	1.2
121.10136	20.8
123.08039	2.3
123.11700	55.3
124.11945	1.2
125.09640	2.4
125.13217	1.3
127.03934	4.8
127.04756	0.9
127.07527	1.4
127.11163	2.0
129.10182	0.9
131.08592	4.7
132.10249	1.0
133.10107	12.6
135.04398	8.0
135.07999	1.1
135.11674	16.1
137.05888	1.0
137.09590	2.8
137.13245	19.5
139.11159	3.6
141.06900	1.0
141.12726	2.1
145.02835	6.1
145.10089	5.1
145.96619	1.0
147.11687	11.6
149.13258	13.3
151.11137	4.6
151.14796	2.2
153.12816	1.5
155.10631	2.7
159.11655	5.7
161.13258	6.5
162.02202	2.0
163.03897	45.6
163.05269	2.2
163.14819	5.8
164.04221	1.7
165.12715	2.3
165.14165	1.0
167.14313	1.5
173.13251	3.3
175.14767	5.0
177.12782	1.0
177.16356	3.0
179.17998	1.2
187.14819	2.7
189.16383	2.4
191.17889	2.1
201.16420	3.0
203.17900	2.1
215.17996	4.0
219.21039	1.1
245.22577	1.6
249.05429	1.2
264.07581	1.2
271.24185	7.0
277.25436	1.1
289.25217	10.9
307.09497	3.7
307.26297	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01863	22.2
55.05275	6.0
55.05508	79.7
55.66197	3.8
57.03412	5.3
57.07067	3.5
61.36501	3.6
67.05173	6.3
67.05499	60.2
69.03420	7.3
69.07054	23.0
69.34361	18.5
69.34795	23.6
71.04972	5.3
79.05488	100.0
81.03411	7.6
81.06658	5.1
81.07059	58.2
83.04994	20.8
83.08598	23.1
87.93243	3.9
91.05479	39.9
93.07041	55.9
95.04934	6.5
95.08615	22.3
97.06517	18.6
97.10162	46.7
105.07032	50.9
107.04948	44.0
107.08588	95.9
109.06453	9.6
109.10144	24.7
111.08073	7.5
117.06992	13.1
119.08561	32.2
121.10119	16.9
123.11646	9.0
125.09626	75.6
129.06940	4.5
131.08545	16.4
133.10136	26.6
135.08060	25.8
135.11639	9.9
145.10060	12.9
147.11702	20.5
147.12675	3.9
149.09613	69.5
153.09128	20.4
157.12225	9.9
159.11655	13.9
173.13194	5.3
197.13332	5.1
203.12773	66.2
209.15205	6.2
229.19524	7.4
239.10725	4.4
240.19792	4.2
257.18961	11.6
275.20026	69.4
296.37933	4.3
307.22711	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03948	1.6
55.01859	3.9
55.05508	17.3
57.03439	1.3
57.07081	1.9
65.03909	1.6
67.05505	30.8
69.03425	2.4
69.07070	22.5
69.79587	1.4
71.04983	2.9
71.58978	1.6
79.05494	21.0
81.03409	2.2
81.07055	39.4
83.04996	6.9
83.08617	5.9
85.06533	2.5
91.05482	20.4
93.07041	25.2
95.04980	9.5
95.08608	22.4
97.06525	5.9
97.10170	2.7
98.98472	1.5
105.07024	29.1
107.04973	7.7
107.08601	17.9
109.06509	12.2
109.10143	9.1
111.08077	2.0
116.78519	1.4
117.07010	7.1
119.08569	12.7
121.02859	2.2
121.06491	12.6
121.10144	11.4
123.07257	1.9
123.08032	8.0
123.11724	4.4
129.07014	3.8
131.08568	13.9
133.06479	3.7
133.10135	17.5
135.08015	4.4
135.11708	6.9
137.06018	2.9
137.09593	3.4
143.08577	3.1
145.10123	13.3
147.08003	2.2
147.11682	11.7
149.09621	4.4
149.13216	2.1
151.11168	8.3
155.01030	1.6
157.10130	3.6
159.08075	2.9
159.11694	5.8
161.09625	2.5
161.13243	4.0
163.11179	6.1
165.12816	3.0
173.09598	2.6
173.13284	6.9
175.11255	2.2
177.12730	2.5
183.11697	3.3
185.13312	1.7
187.11057	2.4
187.14848	1.8
191.14339	4.0
201.12697	4.5
207.13800	4.0
215.17989	2.9
219.13858	5.2
229.19490	2.9
231.17613	1.8
239.17992	2.5
247.20602	5.3
257.18988	15.7
275.20059	100.0
276.20398	4.5
289.21674	3.7
307.22702	44.5
307.25320	1.3
308.29413	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01849	9.0
55.05283	3.2
55.05510	39.2
57.03413	10.7
57.07069	5.7
59.04988	5.8
65.03918	4.6
67.05188	3.5
67.05505	47.9
69.03402	4.0
69.07067	25.7
69.96509	7.9
69.96925	4.9
70.04070	2.5
70.06600	4.9
70.07603	2.4
71.04990	19.4
71.51672	2.3
76.02204	6.0
77.03922	3.1
79.05085	3.4
79.05492	40.1
81.03407	9.2
81.06605	3.1
81.07058	52.8
83.04955	5.3
83.08590	11.1
84.04463	5.3
84.08145	4.9
85.06518	8.7
86.09689	4.8
87.04455	3.3
87.08100	2.9
91.05470	51.4
93.07040	47.7
95.04974	18.0
95.08612	36.8
97.06501	12.3
97.10145	11.1
99.08017	3.0
103.05442	5.5
105.07026	65.9
107.04948	29.5
107.08589	27.7
109.06520	26.0
109.10143	21.1
111.04417	4.4
111.08064	8.7
113.06031	3.4
117.07021	14.3
119.08574	47.1
121.02856	22.2
121.06487	20.7
121.10133	23.4
123.08060	19.3
123.11666	5.6
125.09628	9.9
129.07016	7.6
131.08539	19.1
133.06511	5.2
133.10130	32.4
135.08022	18.0
135.11688	11.6
137.09605	10.6
139.11067	3.1
141.06947	3.2
143.08542	4.8
145.06430	4.4
145.10123	21.9
147.07993	2.8
147.11664	26.3
149.09641	12.3
149.13210	5.3
151.07533	3.1
151.11165	16.4
157.06485	2.6
157.10121	5.0
159.08095	13.4
159.11714	11.7
161.09595	5.5
161.13254	6.8
162.02199	3.0
163.07501	6.8
163.11156	9.0
165.09082	8.7
165.12737	10.6
169.10120	3.8
171.11697	7.4
173.09634	6.6
173.13289	7.6
175.11203	4.8
175.14854	2.7
177.12732	3.9
179.14322	3.4
183.11581	3.5
185.09642	2.7
187.14828	3.5
189.11235	3.1
191.14264	4.2
197.13368	5.1
201.12610	3.6
213.05409	5.7
215.14391	3.2
219.13931	3.5
229.19571	8.1
233.15375	8.9
235.13292	8.0
239.17862	9.5
243.17468	4.9
247.20531	6.6
249.18419	3.4
257.18976	9.4
261.18408	4.7
271.16934	8.9
275.20050	67.7
289.18060	24.4
289.21133	4.8
289.24960	2.9
307.09473	10.0
307.18973	14.3
307.22635	100.0
307.26089	6.0
308.13263	3.1
308.23047	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03940	3.5
55.01862	2.8
55.05509	17.3
57.07057	3.3
57.98805	0.9
59.04990	4.7
65.03921	3.0
67.05502	25.2
69.03397	1.2
69.07063	16.8
69.26461	10.1
70.06580	1.5
71.04989	9.8
73.06544	2.5
76.02224	2.3
79.05006	1.7
79.05488	28.3
81.06596	2.0
81.07052	29.8
82.38931	1.0
83.04965	3.2
83.08606	6.6
84.04477	1.7
84.08149	2.1
85.06537	4.4
86.09692	3.9
87.04450	1.9
90.81447	1.0
91.05476	33.4
91.69967	1.0
92.05843	1.2
93.07040	34.6
94.04148	1.2
94.42638	0.9
95.04964	6.0
95.08609	23.4
97.06531	9.0
97.10163	4.2
99.08081	2.4
103.05434	2.1
105.07022	42.8
107.04935	2.1
107.08588	23.3
109.06520	15.4
109.10149	14.2
110.07292	1.1
111.08093	4.9
117.07008	10.3
119.04921	1.2
119.08577	35.7
121.02854	11.5
121.06516	7.5
121.10138	12.6
123.08070	11.1
123.11719	5.0
125.09629	4.4
125.37835	1.1
127.07516	1.3
129.07086	1.4
131.08571	13.4
132.10231	3.0
133.10126	21.5
135.08049	10.3
135.11703	6.5
136.08835	1.3
137.09622	11.2
137.13295	1.5
137.49893	1.2
139.11134	2.7
141.06967	1.1
143.08531	4.1
145.10115	11.6
147.08029	1.2
147.11665	18.8
149.09639	6.8
149.13252	4.4
151.11180	15.4
155.08591	1.8
157.06506	1.2
157.10123	3.4
159.08025	1.8
159.11696	8.5
159.42633	1.0
161.09660	1.6
161.13203	5.6
163.11165	11.1
163.14746	1.2
165.12720	12.7
169.10098	3.5
171.11661	2.2
173.09666	2.1
173.13210	5.5
175.14851	1.3
177.12744	5.3
179.14368	4.8
183.11615	2.1
185.13281	1.2
187.11131	1.7
187.14833	2.3
189.12727	1.6
191.14296	2.9
195.02643	1.1
197.13216	5.4
201.12776	1.3
213.05515	3.3
213.16322	1.5
215.14278	1.6
215.17854	1.8
229.19463	5.6
233.15437	1.8
239.17987	10.4
247.20644	6.4
257.19012	13.0
275.20050	51.7
276.20300	2.2
289.17953	2.6
289.25220	1.2
307.09573	5.2
307.22672	100.0
308.09882	1.2
308.22903	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	307.1901
Annotation	Corrin
Peak:m/z	Relative Intensity
52.07927	7.2
55.01872	14.5
55.05511	51.0
57.03430	29.1
57.07076	10.2
65.56487	7.6
67.05502	48.2
69.07066	27.2
71.51429	12.7
76.02226	13.8
79.05495	62.6
81.03412	7.8
81.07064	52.8
83.04977	13.7
83.08624	15.1
91.05482	37.4
93.07052	50.5
95.04990	18.6
95.08603	32.2
97.06532	13.5
97.10165	26.1
105.07038	34.3
107.04942	11.4
107.08589	32.5
109.06515	15.3
109.10176	18.1
111.08110	11.2
111.43323	8.4
117.07010	17.5
119.08585	32.1
121.02864	36.7
121.06483	23.0
121.10136	17.0
125.09623	19.2
131.08589	28.5
132.21152	7.3
133.10118	15.0
135.08022	17.8
137.05968	13.0
137.09601	8.3
143.08521	15.5
147.08029	11.7
149.05965	19.5
157.10118	12.5
159.08060	32.6
162.02246	13.7
163.07597	12.1
169.10095	13.1
173.09645	20.1
173.13188	12.1
175.11284	8.2
185.13419	9.4
189.11198	11.6
215.14333	8.1
233.15425	17.3
243.17401	13.1
271.16919	35.6
274.94730	8.3
289.17917	100.0
307.09595	13.1
307.20432	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	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	3.0
58.06601	4.6
60.04504	0.8
60.98793	0.8
69.03425	1.3
69.07059	1.3
70.06595	4.8
71.56581	1.0
72.08150	2.5
74.06071	0.8
76.02229	1.7
77.74046	0.7
81.07080	0.7
82.96669	0.6
84.04501	26.6
84.08138	100.0
85.02846	0.8
85.08453	1.3
85.84251	0.5
86.06062	7.3
86.09698	8.9
88.03989	2.4
91.05508	0.8
95.08602	0.7
99.09234	1.2
110.07188	1.9
116.01698	0.8
129.10243	1.7
130.05061	0.8
130.06595	0.7
130.08629	1.1
135.04442	0.9
137.74809	0.6
141.13849	6.3
144.10188	0.8
146.06068	0.8
158.06012	0.8
162.02202	0.9
163.03893	2.4
169.13345	9.9
171.93301	0.7
176.07092	2.3
198.11293	2.5
205.11038	2.5
215.13910	35.1
216.14276	1.0
243.17038	46.6
244.07053	0.6
244.17477	1.2
245.12808	2.7
262.10971	3.3
289.15488	1.3
307.16806	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	307.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05500	2.0
56.05031	2.4
57.05819	0.6
60.04519	2.0
60.05667	0.6
64.51725	0.6
68.99795	0.8
69.03420	1.1
69.07066	1.7
70.02962	0.8
70.06208	0.9
70.06590	18.6
71.06920	0.6
71.43041	1.0
72.07758	0.8
72.08147	11.1
74.06071	1.8
76.02232	3.8
79.05468	0.9
79.07660	0.6
81.03418	1.8
82.02930	0.6
82.06554	0.8
83.06084	1.0
84.04497	6.6
84.08135	9.0
85.02898	1.3
85.08440	0.7
86.00618	0.6
86.09703	11.4
87.00836	2.5
88.03986	0.7
91.05474	2.1
93.07005	0.8
94.06537	3.3
95.06062	1.0
95.08591	0.8
97.02910	0.8
103.05463	1.4
105.06989	0.6
107.04925	1.0
109.02876	1.1
109.06600	0.5
110.07152	6.0
112.08720	1.3
115.05473	1.7
116.07082	1.3
117.03375	1.0
119.04939	1.9
120.08106	8.6
121.06443	0.7
121.08315	0.7
123.04422	7.3
124.04742	0.6
127.03908	1.6
129.10228	6.0
130.06519	97.1
131.04918	0.8
131.06856	1.9
132.01205	0.8
132.04448	26.5
133.26718	0.6
135.04366	1.5
136.06129	0.8
136.07570	1.7
137.05957	1.0
139.03911	3.7
141.10208	0.6
143.11774	0.6
144.06601	1.2
145.02858	1.7
146.06010	7.6
147.04391	3.4
151.03929	0.5
155.03389	11.2
157.07605	81.7
158.06007	100.0
159.04747	1.1
159.06322	2.6
161.09238	0.8
162.02217	1.5
163.03886	6.5
165.05421	1.9
173.05939	0.7
173.07147	5.2
175.08665	46.7
176.07033	2.4
176.08920	1.0
177.05469	3.4
179.04803	1.7
196.15958	0.5
197.07092	2.6
199.08662	2.2
200.06932	0.8
201.06601	3.8
201.12398	0.5
202.08925	1.9
202.89026	0.7
203.08171	4.4
221.09250	3.2
225.06493	1.1
226.08954	1.2
235.11569	0.6
243.07622	11.1
244.10069	0.7
245.09181	2.4
246.13712	0.7
247.07202	2.4
249.54106	0.6
249.68332	0.5
254.97740	0.6
261.08704	42.7
262.08929	1.7
271.07297	2.7
272.09439	1.6
289.08200	8.8
289.15210	0.7
289.96530	0.6
290.10492	1.5
307.09094	4.8
307.12872	1.3
307.16379	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	306.9018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76167	0.6
63.56112	0.6
71.41647	0.9
78.02520	0.6
78.95644	3.2
94.93011	28.0
94.93636	1.3
112.89601	23.5
123.29464	0.7
150.91943	1.4
174.89558	1.0
190.91115	3.5
202.89088	100.0
206.88753	1.0
212.85172	1.0
214.94818	0.8
216.90642	2.6
218.92268	3.3
232.92235	29.7
244.90202	4.0
246.88078	3.0
248.89629	8.9
288.88824	1.1
306.85477	1.4
306.90363	3.8
306.93585	1.1
307.10049	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	307.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31798	0.5
71.17355	1.6
84.08116	0.7
95.48901	0.5
101.00869	1.5
116.41148	0.5
119.01921	5.8
134.99899	0.9
137.02939	1.9
145.45113	0.6
158.99876	0.7
177.00940	16.0
178.00963	1.3
179.00743	0.7
201.00896	1.0
216.05794	0.6
217.04173	2.4
219.01985	21.7
220.02202	0.8
221.01758	1.2
225.00870	2.8
240.05695	0.8
242.03586	0.6
243.02045	6.6
258.03174	0.5
258.06720	1.1
261.03055	100.0
262.03271	4.6
269.83020	0.6
284.02167	0.6
284.04721	9.6
296.82288	0.6
302.03275	1.0
302.05649	2.4
324.28644	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	307.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05487	2.4
56.05025	2.8
58.99575	2.0
60.04506	2.3
60.05634	2.5
67.05489	1.2
68.99779	1.0
69.03416	2.4
69.07066	2.2
70.02951	13.8
70.06590	17.2
72.08154	14.8
74.02441	1.4
74.06069	2.0
76.02225	7.3
79.05479	0.8
81.03408	5.2
82.02926	1.3
82.06567	0.9
84.04505	7.0
84.08136	11.0
85.02887	1.4
86.09705	15.5
86.99032	1.0
87.00834	1.6
87.10016	1.5
88.03988	5.0
89.03912	2.2
91.05478	3.4
94.06557	2.0
95.04939	1.1
97.02886	1.2
101.80296	0.9
102.05526	1.4
105.03395	1.6
107.04948	1.4
109.02901	1.3
110.07172	6.9
112.08743	1.2
114.10299	8.6
115.05429	2.0
115.08659	2.1
116.01688	1.0
117.03381	8.7
117.89388	0.8
118.06538	1.7
119.04958	1.7
119.08554	1.0
120.08109	4.3
122.07146	1.0
123.04440	5.2
127.03938	1.1
128.04938	3.1
129.10251	7.2
130.05003	1.9
130.06517	66.9
131.06836	1.7
131.12924	2.4
131.80717	0.8
132.04465	16.1
134.04486	2.1
135.04408	3.0
136.07578	3.6
137.05981	1.3
139.03905	3.4
144.01147	1.0
145.02847	24.7
146.06001	100.0
147.04419	2.8
147.06311	3.6
149.05966	3.7
155.03383	6.1
157.07605	55.4
158.06007	67.3
159.06311	1.1
162.02191	2.4
163.03879	11.1
165.05472	1.2
173.07135	2.1
174.05493	15.9
174.06917	1.3
175.07230	1.7
175.08678	30.1
176.07059	2.3
176.08966	1.5
177.05460	39.0
179.04857	2.8
183.11325	1.0
187.14598	1.0
192.06511	2.5
195.08817	1.2
197.07196	1.6
199.08716	1.5
201.06583	3.7
202.09087	1.1
203.08241	2.7
204.06281	1.0
219.99017	0.8
221.09270	1.6
233.06064	1.3
243.07607	8.7
245.09302	1.7
247.07076	1.2
261.08698	35.9
271.07098	2.5
272.09555	0.8
272.17264	1.4
289.08188	9.2
290.14957	2.1
307.09488	5.2
307.12546	1.3
307.13678	1.6
307.17639	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	306.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
54.64869	0.2
55.01857	0.7
55.05510	7.1
56.05013	0.3
57.07060	0.7
60.70592	0.2
67.05501	10.7
68.01433	0.2
69.05977	0.2
69.07063	7.6
70.10588	1.0
72.04511	0.5
79.05486	2.5
81.07050	8.1
82.06558	0.4
83.08615	2.2
85.05279	2.3
86.06065	0.9
90.76884	0.2
91.05463	1.0
93.07037	2.0
95.04969	0.4
95.08600	5.4
95.67135	0.2
96.08164	0.3
96.08885	0.2
97.06521	0.2
97.10165	0.9
98.06048	15.2
98.09684	0.2
99.06875	0.3
105.06976	0.7
107.08583	0.9
108.08092	0.3
109.10145	1.7
110.09670	0.5
112.07597	2.0
119.08566	0.5
121.10120	0.7
122.09657	0.2
123.11756	0.3
124.07596	0.5
124.11189	0.3
125.08350	0.3
126.09132	0.7
131.08551	0.2
133.10103	0.7
134.09560	0.2
135.11681	0.4
137.05954	2.2
137.13315	0.2
138.09146	0.6
140.10692	1.0
152.10645	0.3
154.12193	0.5
166.12184	0.3
168.13863	0.4
178.06911	0.2
180.13765	0.4
182.15387	0.5
194.15372	0.2
196.16946	0.7
208.16963	0.8
210.18446	0.3
222.18466	0.6
236.20143	0.4
250.21732	0.3
253.22377	0.2
306.27893	100.0
307.22986	0.2
307.28256	2.4
323.35666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.05510	3.9
58.92418	0.3
65.03944	0.6
67.05502	5.0
69.03428	0.8
69.07065	5.8
69.88103	1.9
70.06594	0.3
74.02441	0.6
79.05492	6.4
79.05955	0.2
81.03410	0.3
81.07051	5.2
83.04958	0.4
86.09704	63.0
87.10026	0.5
91.05479	38.8
92.05798	0.3
93.07043	3.8
93.87698	0.3
95.04980	0.9
95.08582	0.5
98.21463	0.4
103.05464	0.7
105.07027	52.3
106.07348	0.5
107.04964	1.0
107.08572	1.2
115.05428	0.8
116.06226	1.0
116.65974	0.3
117.07016	1.9
119.08577	6.3
121.06516	0.8
121.10167	0.4
124.24168	0.3
128.10684	0.6
129.07014	4.0
130.08633	0.4
131.08563	59.5
132.10201	30.8
133.10124	100.0
134.10492	1.7
134.11307	0.3
135.04378	0.6
142.07755	2.0
145.02927	0.4
145.10088	0.5
147.08046	0.4
147.10507	0.7
147.11681	13.5
148.11967	0.4
149.13245	1.8
157.10133	2.1
163.03882	3.4
175.11185	17.8
176.57468	0.3
188.67690	0.3
191.16229	0.3
192.12277	0.6
192.13840	5.5
193.12221	0.6
204.13730	0.4
220.13354	0.5
238.14392	3.6
260.20093	7.6
278.21188	1.1
306.20624	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	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51052	0.4
53.33733	0.5
55.05508	4.7
67.05510	2.6
69.03413	0.6
69.07072	5.3
69.29703	4.3
70.06590	2.2
72.08150	1.0
74.02457	0.5
79.05495	5.5
81.03420	0.5
81.07067	3.8
83.38177	0.4
84.04502	1.0
84.08134	1.1
86.09705	55.1
87.10028	0.5
91.05480	35.2
91.62757	0.4
93.07042	3.5
95.04953	1.3
102.38028	0.5
103.05441	0.5
105.07030	53.5
107.04933	1.0
107.08568	1.2
110.07127	0.7
115.05432	0.9
115.83971	0.4
116.06236	1.4
116.07059	0.6
117.07012	1.8
118.07787	0.6
119.08589	4.6
120.08068	1.0
128.10716	0.5
129.07024	4.1
131.08565	61.0
132.10202	29.4
133.10127	100.0
134.10463	1.7
135.04361	0.8
137.05989	1.0
142.07794	2.3
147.11690	11.7
149.13235	1.0
157.10091	1.5
161.05946	0.5
163.03865	2.0
175.11182	15.0
176.04643	0.9
192.13852	5.1
220.13326	0.5
238.14386	3.1
260.20102	5.9
274.12039	0.4
288.16092	0.6
306.05945	0.5
306.17175	0.9
306.20575	7.8
307.09482	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	306.1661
Annotation	Ser Ser Ile
Peak:m/z	Relative Intensity
52.60162	1.2
55.05486	2.1
56.05032	4.9
60.04522	100.0
61.01171	1.4
69.07040	1.7
70.02944	2.7
70.06590	11.6
70.29855	2.3
70.30271	3.4
72.08150	8.8
72.16634	1.2
74.06079	14.0
82.06586	1.5
83.00246	1.4
83.06126	1.5
84.04503	22.3
84.08146	12.2
85.02909	2.0
86.07073	1.4
86.09703	86.3
87.05579	3.8
87.10052	2.1
91.05471	1.8
94.18750	1.3
96.37309	1.5
98.09653	1.4
99.05571	2.8
101.07146	3.6
102.05537	59.2
103.05386	1.3
104.05331	1.5
110.07169	5.7
110.09659	3.3
120.08105	3.0
127.03842	1.3
127.12357	2.3
129.06589	26.0
129.10245	5.0
130.04993	1.9
132.08023	1.4
132.10193	47.7
136.07652	2.3
137.05983	2.7
138.09109	1.4
144.10197	3.3
147.07645	59.3
155.11819	4.2
157.06125	4.0
159.09125	2.1
163.03844	1.9
173.12856	11.8
175.07143	63.1
177.03262	2.2
183.11299	6.1
201.12352	3.9
203.12117	1.6
219.13385	27.4
229.11850	3.7
255.10982	1.2
270.14581	4.3
288.15381	8.2
289.12207	1.5
306.16351	4.8
306.19998	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50739	0.4
66.04688	0.3
69.07054	1.3
69.91668	0.8
69.92076	1.3
73.34309	0.3
79.05448	0.4
81.07049	1.1
83.29303	0.4
91.05453	0.5
94.04169	2.2
97.06527	0.8
103.17712	0.4
107.08605	0.6
109.10167	0.6
121.95068	0.4
122.03636	6.3
132.34419	0.3
133.10100	0.8
135.11679	1.7
137.05972	100.0
138.06314	1.6
153.12769	1.0
170.15416	2.1
182.15485	2.4
192.80464	0.4
234.23666	0.4
289.20865	0.4
306.20602	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	305.2473
Annotation	Vitetrifolin G
Peak:m/z	Relative Intensity
53.03929	3.1
53.16140	2.4
54.45452	2.5
55.01851	3.6
55.05510	28.4
57.03427	2.7
57.07061	11.6
59.04998	6.1
67.05500	34.5
67.38496	2.8
69.03416	8.0
69.07061	42.3
69.85977	15.2
71.04984	23.2
73.06562	3.5
79.05493	38.4
81.03380	3.6
81.06601	5.7
81.07054	89.6
82.07401	2.7
83.04974	6.4
83.08607	16.4
85.06564	13.7
85.06992	2.7
91.05480	24.9
93.07040	82.6
95.04954	11.7
95.07992	4.2
95.08604	85.8
96.67324	2.3
97.06520	12.2
97.10161	10.0
98.20808	3.5
98.97570	7.4
99.08078	19.4
99.92443	2.8
102.80693	2.9
105.07028	50.0
107.04959	4.3
107.08585	84.8
109.06527	16.6
109.10151	49.5
111.08068	8.2
111.11645	4.0
112.32706	3.2
113.09650	6.7
117.07002	7.5
119.08578	59.6
121.06492	5.2
121.10133	53.5
123.08054	5.7
123.11694	20.3
125.09616	7.4
127.07543	7.4
127.11172	8.2
129.07004	3.0
131.08549	29.0
133.10136	38.2
135.08116	3.4
135.11678	29.7
137.09590	4.9
137.13223	8.1
139.11183	5.0
143.08551	10.9
143.10687	5.8
145.10103	54.8
147.11707	37.9
149.09593	5.8
149.13255	44.1
151.11113	4.4
153.12811	3.6
154.02457	3.0
155.10660	4.9
157.10124	16.8
159.11687	39.7
161.13252	23.4
163.07607	3.1
163.11169	9.6
163.14780	18.8
171.11713	11.3
173.13252	23.0
175.14751	14.4
177.12752	4.1
177.16426	6.4
179.14227	3.1
185.13229	8.0
187.14816	11.9
189.16420	15.9
191.14316	6.6
191.17998	4.2
193.15883	4.1
199.14771	10.0
201.16379	100.0
202.16721	3.0
203.17993	16.9
203.66353	2.6
205.15990	4.9
207.17422	3.3
213.16336	17.1
215.17874	24.1
217.15865	9.1
217.19293	3.4
219.17459	34.3
227.17932	3.5
229.19534	3.1
231.17554	3.6
235.16980	17.9
269.22632	32.9
287.23679	65.8
288.23932	3.7
305.05539	6.8
305.24741	98.4
306.25140	3.9
324.55618	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	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.05521	0.4
65.03945	0.6
67.05499	1.3
69.07059	0.5
70.06590	0.5
77.03925	0.4
79.05480	0.8
80.05046	0.3
81.07050	2.2
84.04471	0.4
86.09700	0.5
91.05459	3.7
93.05799	0.7
93.07034	3.2
94.06562	0.7
95.04942	1.4
95.08584	0.6
96.08154	0.6
97.70601	0.3
105.06981	0.4
107.08590	0.6
108.04472	0.3
108.08111	1.5
109.06557	0.3
109.10149	0.9
110.07129	0.4
115.93200	0.3
119.08575	0.6
120.38619	0.3
121.10114	0.5
122.06032	4.0
123.11671	0.5
124.07577	9.3
125.09600	0.4
126.05486	1.3
135.11714	0.3
136.07565	100.0
137.07884	1.2
138.09122	0.8
139.11189	0.5
140.07033	1.7
145.10095	0.3
150.05476	0.8
152.07048	17.8
164.07050	81.2
165.07399	1.3
166.08633	0.7
170.08121	4.1
182.08124	15.8
200.10724	0.4
217.13371	0.5
242.11806	0.4
245.12874	1.7
287.10953	0.5
287.13867	6.0
305.05460	1.4
305.14972	1.6
305.24673	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	305.211
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
53.03938	3.1
55.01868	4.7
55.05510	13.9
57.07071	3.9
58.06581	9.0
59.04995	3.5
67.05498	22.5
69.07048	10.8
70.06584	3.5
71.04998	4.1
71.51694	2.3
75.59288	2.6
79.05489	20.6
81.07043	18.8
83.04963	5.4
83.08611	3.6
85.06534	3.0
91.05476	41.4
92.05799	8.6
93.07029	19.0
95.04935	5.3
95.08589	14.5
95.69291	2.2
97.06548	2.3
98.06032	3.6
103.05471	2.9
105.06998	20.0
105.85979	2.8
107.04951	5.3
107.08586	11.4
109.06501	7.2
109.10160	5.9
111.04429	4.7
115.05482	2.9
117.07017	10.9
119.04956	2.7
119.08596	11.5
121.06485	19.9
121.10137	7.9
123.08104	4.2
125.06007	5.8
126.06725	4.4
129.06969	7.2
130.07756	2.7
131.08554	9.1
133.06467	5.5
133.10135	9.0
135.08093	12.6
135.11696	4.9
137.05945	20.8
137.09627	4.1
143.08549	5.1
145.10097	11.8
147.08046	9.5
147.11667	5.2
148.08830	3.1
149.09613	5.9
151.07576	4.9
157.10155	4.5
159.11684	5.5
161.09631	10.6
163.11198	5.7
165.09166	2.4
171.11734	4.6
175.11220	4.2
177.12874	3.9
185.70703	2.2
193.12268	2.9
194.11740	3.6
197.08110	2.6
207.13884	6.8
213.24135	5.4
245.18991	4.0
250.18176	3.5
259.20609	4.1
273.18417	7.8
287.19989	3.9
305.21106	100.0
305.26688	25.0
305.30515	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	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
54.90192	0.4
55.05513	1.2
67.05498	3.3
68.01636	0.4
69.03413	0.6
69.07056	2.3
69.76523	3.2
70.06596	3.6
71.04975	0.5
71.56030	0.4
72.08160	1.6
77.03909	0.6
79.05482	2.4
80.05003	0.7
81.06620	0.6
81.07047	4.1
83.04974	0.6
84.04509	2.1
84.08140	2.0
85.02904	1.2
86.09703	4.5
91.05479	6.5
92.30418	0.4
93.05767	0.5
93.07029	4.6
94.06561	1.7
95.04980	3.0
95.08600	1.6
96.08128	1.4
97.06526	1.4
102.05559	0.7
103.05462	0.6
105.07027	2.0
106.06533	0.7
107.04996	0.6
107.08588	1.7
108.04461	0.5
108.08117	1.5
109.06474	1.0
109.10161	1.8
110.06010	0.6
110.07159	1.8
112.08714	0.7
117.07077	0.5
118.06495	0.9
119.08588	1.6
120.08086	1.8
121.10133	1.1
122.06026	4.9
123.04428	1.0
123.11728	1.1
124.07584	9.2
126.05525	1.5
129.07028	0.6
129.10243	1.4
130.04997	3.7
131.08556	1.4
132.10205	0.6
133.10149	2.2
135.04483	0.6
135.08023	0.5
135.11720	0.7
136.07573	100.0
137.06003	1.0
137.07922	1.7
138.09145	1.2
139.11226	0.9
140.07050	1.3
144.08006	0.6
147.11655	1.8
149.02388	0.5
150.05475	1.2
151.11099	0.6
152.07060	17.7
153.01756	0.9
159.11656	0.6
164.07062	73.1
165.07405	1.2
166.08693	0.9
170.08141	5.1
173.45239	0.4
175.11172	0.7
176.14308	6.5
182.08133	15.0
183.08501	0.5
200.10565	1.1
214.12245	1.1
217.03168	0.9
217.13370	1.5
226.07372	0.7
231.14920	0.7
232.12001	0.5
234.07626	1.7
235.07976	4.7
241.09686	0.6
242.11742	1.3
245.12900	3.6
257.05493	0.5
259.14380	1.0
269.09238	0.5
269.12552	0.6
269.22687	0.6
287.10184	6.8
287.13815	9.3
287.23676	0.7
288.12280	1.0
305.05389	1.1
305.11502	1.0
305.15292	7.7
305.18701	1.4
305.24719	2.0
307.78842	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	304.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35944	0.4
53.03938	0.5
54.05094	0.4
55.05508	0.6
58.06590	0.5
62.10303	0.4
65.03926	0.8
67.05505	4.1
68.10252	0.4
69.07061	3.7
70.02927	0.5
70.06567	1.6
72.08129	0.7
78.60973	0.4
79.05488	3.1
81.03403	0.7
81.07038	1.7
82.64857	0.4
84.04489	0.7
84.08127	1.9
85.02885	0.6
86.09699	39.3
87.09991	0.7
91.05473	19.2
92.05808	0.6
93.07038	0.8
94.06570	0.8
95.04969	1.0
95.08597	0.7
96.08102	0.7
103.05471	2.6
105.07030	9.3
109.06509	0.5
110.07152	1.0
115.05459	3.6
116.06210	2.6
117.07010	22.8
119.04918	1.8
119.08573	1.4
120.08089	1.0
122.05977	1.1
122.09662	0.6
123.04428	2.7
124.07594	0.6
125.09605	0.6
128.06200	1.3
128.10701	0.5
129.07007	5.8
129.10236	0.9
130.07785	5.9
130.08658	0.9
131.04895	1.0
131.08559	35.6
132.10190	16.3
136.07574	4.0
137.05986	4.9
138.06287	1.4
142.12277	2.3
143.08577	2.8
145.06494	5.1
145.10112	65.9
146.10442	1.3
147.04396	7.1
147.11649	3.1
148.05257	0.8
150.05447	1.6
151.05835	1.5
152.07045	1.3
155.08522	1.2
161.05943	1.3
163.07486	3.1
164.07016	3.5
165.05470	6.0
168.10164	2.9
170.36211	0.5
173.09618	7.7
175.06232	0.7
175.07588	0.8
178.08580	0.8
188.07103	1.5
190.08566	0.6
191.09401	1.4
202.12274	0.9
212.07933	0.4
230.01619	0.5
234.07593	100.0
235.07956	4.1
256.13370	0.8
258.08246	0.7
258.11151	0.7
258.18512	17.3
287.10968	1.2
302.13812	1.7
304.05396	1.6
304.15469	91.5
304.19037	14.2
305.15778	5.1
305.19296	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	304.1652
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
55.05276	1.0
55.05512	14.2
56.05030	2.2
56.41771	0.8
57.05807	1.1
60.04532	1.4
60.05649	0.9
60.14158	0.7
69.07062	1.6
69.97113	3.8
70.06259	1.0
70.06596	12.0
71.74396	0.8
72.08153	100.0
73.08488	1.7
79.05483	1.1
80.04990	0.9
84.04508	4.2
84.08148	12.2
85.02891	1.3
86.09702	13.4
91.05476	2.7
92.64472	0.8
94.06562	0.9
95.06126	0.8
97.02840	0.8
98.06053	3.0
99.09210	1.0
103.05470	1.7
107.04929	0.8
110.07172	2.9
112.08713	1.3
115.05451	1.9
116.07088	3.3
117.05758	1.4
117.06942	1.1
118.06513	6.2
119.04928	1.4
120.08098	17.9
122.06014	1.1
123.04432	1.4
127.08689	3.2
129.10226	7.5
130.06514	11.5
130.08665	1.3
132.08086	24.3
136.07564	1.7
137.05983	2.9
142.06485	4.1
143.07315	1.1
144.07236	0.6
144.08080	21.7
146.06007	23.6
150.05550	0.9
158.09363	1.1
159.09177	45.2
160.07570	2.7
166.08682	1.4
170.06036	11.6
171.14923	3.4
177.10220	1.1
188.07069	53.5
204.13525	2.2
205.09714	37.7
217.55637	0.9
230.08072	1.7
232.14005	1.5
258.11429	1.0
258.16046	1.4
259.14386	1.6
287.11023	3.0
287.13867	19.5
304.05447	1.2
304.11780	3.3
304.16522	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	304.1867
Annotation	Leu-Thr-Ala
Peak:m/z	Relative Intensity
55.05503	0.6
56.04838	0.5
56.05037	5.5
58.06589	1.4
59.89899	0.5
60.04526	1.7
60.05651	0.8
67.05502	0.8
68.05047	0.9
69.07070	2.1
70.02953	1.0
70.06595	17.4
71.58663	0.8
72.08144	4.9
73.02918	0.7
74.06081	12.8
76.03996	1.2
76.73274	0.7
79.05487	0.9
80.05009	1.5
81.03401	0.7
81.07058	1.1
82.90517	0.6
83.06105	1.3
83.65462	0.6
84.04508	7.9
84.08138	4.9
85.02929	0.9
86.06065	1.3
86.09705	100.0
87.05583	0.9
87.10033	1.9
88.03983	4.0
91.05470	1.4
93.87280	0.6
94.06572	1.2
100.04015	0.7
101.07137	3.8
102.05540	2.6
104.05293	1.1
106.06589	1.0
107.04969	1.2
110.06042	1.3
110.07149	4.2
112.07592	0.6
112.08743	1.5
112.63623	0.6
114.05506	1.8
116.07121	1.3
119.04939	1.3
120.06580	5.4
120.08114	2.5
120.46519	0.6
122.06075	1.8
123.04454	1.5
123.06353	1.0
127.04113	0.8
127.05051	2.4
127.08681	2.2
129.10249	3.1
130.04990	2.9
132.10236	2.1
133.02840	0.7
134.06012	1.3
135.04388	1.4
136.07576	1.4
137.05991	2.2
138.09158	1.0
139.03877	0.7
140.07101	0.7
141.10243	2.2
142.08661	2.2
142.12311	2.8
143.11797	1.6
145.06107	1.1
149.05988	1.0
150.05511	3.8
151.05997	2.0
152.07059	1.3
155.08229	1.2
156.10205	1.2
157.13364	32.8
158.09444	0.7
169.13321	0.7
173.09250	4.0
175.11926	0.8
183.11327	1.3
185.09203	4.5
185.12845	11.0
187.10823	1.9
187.14413	18.6
191.10309	2.9
201.08740	2.1
201.12341	14.0
203.13947	1.2
215.13905	10.6
229.11845	1.0
231.03963	0.7
233.14989	0.8
258.08353	1.0
272.09488	0.7
286.13962	2.1
286.17667	5.8
287.05771	0.6
287.11356	4.5
288.12067	0.8
293.81451	0.7
304.11182	1.0
304.16299	1.0
320.06833	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	304.1542
Annotation	Carinatine
Peak:m/z	Relative Intensity
52.00100	0.3
55.01844	0.3
55.05468	0.5
56.04977	0.4
56.45750	0.3
67.05505	2.5
69.07063	2.1
70.06544	1.1
70.85064	1.1
72.08111	0.4
74.02377	0.4
79.05441	1.4
81.07021	0.8
84.04493	0.6
84.08080	1.2
86.09703	21.2
91.05479	10.3
95.04930	0.7
95.45753	0.4
103.05390	0.8
105.06418	0.4
105.07023	5.6
107.04951	0.4
107.08521	0.4
115.05419	1.9
116.06186	1.4
117.07010	12.1
119.04958	1.8
119.08548	0.9
120.08046	0.7
121.33993	0.3
122.05992	0.8
123.04402	2.4
124.07563	0.7
128.06178	0.5
129.06966	3.3
129.10190	0.6
130.07797	3.4
130.08664	0.6
131.08560	18.0
132.10187	8.6
136.07558	1.8
137.05960	5.3
138.06248	1.4
142.12260	0.6
143.08527	1.2
144.04385	0.4
145.06491	4.5
145.10118	34.2
146.10457	0.6
147.04401	7.1
147.11681	1.9
150.05473	2.1
151.05777	1.4
153.06926	0.4
155.08502	0.5
160.07568	0.6
161.05930	1.3
163.07559	2.7
164.07060	2.4
165.05486	5.6
168.10202	3.2
173.09615	5.1
175.06128	0.5
178.08536	1.2
188.06995	1.8
190.08574	0.5
191.09366	0.8
197.10596	0.4
199.62614	0.4
202.90663	0.4
234.07596	100.0
235.07967	2.8
256.13403	0.5
258.11139	0.6
258.18524	8.6
276.44647	0.3
286.14539	0.6
287.11240	0.8
294.95587	0.3
302.14050	1.2
304.05740	2.9
304.15448	90.0
304.18982	7.3
305.15799	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01853	2.2
55.05509	1.3
56.05038	1.8
57.03423	4.1
58.06592	2.4
60.04520	9.4
61.02913	4.6
62.32484	1.2
69.03427	16.7
69.07066	46.3
69.79544	8.1
70.06590	3.7
71.04980	2.6
71.08627	23.5
72.08147	2.6
73.02913	2.4
81.03432	6.3
83.08623	1.4
84.04493	4.4
84.08120	1.9
85.02904	74.7
86.02409	6.3
86.09697	2.1
96.08109	3.2
97.02889	47.0
97.06531	7.2
99.04440	3.8
103.03932	7.0
109.02884	12.0
110.07169	1.5
114.09170	18.7
119.04927	1.6
122.78506	1.2
123.04453	1.7
126.09115	1.7
127.03885	12.8
137.05968	3.7
138.09128	4.2
142.08629	100.0
145.04964	7.0
152.10728	2.3
154.08595	1.3
156.10149	4.2
166.08646	2.6
183.08026	3.6
184.09686	85.1
191.27719	1.2
195.08163	1.6
208.09682	13.8
222.09050	1.7
223.07529	12.6
238.10692	2.5
250.10742	13.2
251.07091	1.7
268.09717	4.1
286.12817	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	304.154
Annotation	Carinatine
Peak:m/z	Relative Intensity
55.05486	0.5
56.04988	0.3
65.63309	0.3
68.05004	0.4
69.07060	0.3
69.71642	1.6
70.02937	0.3
70.06561	0.8
71.05006	0.3
72.08128	0.6
79.05463	0.2
80.04990	0.7
81.07049	0.4
84.08109	0.7
86.09678	1.1
91.05478	2.7
93.06956	0.3
95.08593	0.4
98.20840	0.4
98.97534	0.4
105.07031	0.4
115.05457	0.8
116.98537	0.2
117.07014	2.1
119.04945	1.9
120.08104	0.6
122.05972	0.5
122.09617	1.1
122.10395	0.2
123.04420	2.7
124.07626	0.3
127.16965	0.2
129.10243	0.5
136.07576	1.9
137.05963	6.0
142.08566	0.3
143.04910	0.2
145.06464	2.4
145.10120	0.3
146.05937	0.3
147.04396	7.2
148.05112	0.5
152.07100	0.6
153.01793	0.2
159.09267	0.3
161.05952	0.8
163.06351	0.3
163.07475	1.6
164.07022	2.5
165.04189	0.5
165.05478	6.1
165.06880	0.4
167.76024	0.3
168.10194	9.1
170.05913	0.6
178.08662	0.9
188.07071	1.7
190.08627	0.3
234.07593	100.0
235.07933	2.7
245.12918	0.4
256.13242	0.5
258.08099	0.6
258.14944	0.4
276.18088	0.3
287.11108	1.4
287.13757	0.3
299.99078	0.3
302.13708	1.3
304.05872	1.8
304.15414	91.2
305.15652	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	303.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.24394	0.6
55.01832	2.5
55.05471	1.4
65.03932	1.3
67.05497	4.3
69.03378	1.1
69.07032	1.4
70.06564	1.7
70.13052	2.6
71.04951	1.1
77.14362	0.6
79.05481	3.7
80.05011	5.8
81.03402	1.7
81.07046	4.9
82.06554	0.7
83.04964	1.6
84.04490	0.9
84.08102	1.6
85.06461	0.9
86.09682	2.5
90.82206	0.7
91.05000	0.8
91.05479	9.7
92.04977	1.4
93.05756	1.0
93.07066	4.4
94.06555	5.8
95.04964	3.6
95.08609	3.7
96.08099	1.4
97.06475	1.0
99.04446	1.2
103.05462	4.4
104.04964	1.0
105.07056	3.5
106.06523	1.4
107.04952	3.4
107.08569	2.9
109.06507	1.4
109.10136	1.9
110.05999	2.3
110.07124	0.8
110.10398	0.7
111.00802	1.1
111.04407	1.6
115.05408	1.6
117.06981	1.6
117.88406	0.7
119.04926	4.0
119.08529	2.9
120.04439	2.3
120.05721	0.7
120.08034	1.0
121.02839	1.4
121.06504	4.7
121.10096	2.2
122.05212	0.7
122.06036	12.1
122.06894	1.4
123.04390	3.1
123.06780	0.7
123.08045	1.1
123.11668	1.5
124.07541	2.8
127.03890	1.5
128.06195	1.0
129.06979	1.7
131.04950	5.3
131.08545	1.0
132.04427	2.6
133.06441	1.2
133.10146	1.8
134.03590	0.9
134.05968	2.8
135.04420	4.0
135.08090	1.4
136.05185	0.9
136.07625	1.3
137.02342	5.1
137.05966	11.2
137.09561	1.1
138.09064	2.6
141.06985	1.3
143.08534	2.3
144.08046	1.1
145.06454	2.1
145.10078	2.9
147.04362	2.1
147.11642	2.1
148.04012	0.8
149.05965	2.7
149.21887	0.7
150.05496	13.4
151.03972	0.7
151.06224	2.4
151.07510	5.6
151.11107	0.9
152.07040	2.9
153.01810	4.7
153.05492	3.7
153.06940	4.3
154.06543	0.9
154.07722	1.1
155.08556	4.0
156.08000	1.5
157.08827	0.8
157.10092	1.9
158.09637	1.7
159.11729	1.0
161.05954	1.8
162.05489	2.3
163.07492	3.1
165.01791	2.0
165.06984	10.3
167.03384	4.1
167.07098	1.2
167.08496	1.1
168.05724	3.9
168.08025	0.7
169.06476	1.2
169.10106	1.3
170.09656	0.9
171.10437	2.0
171.11714	1.0
172.07591	1.3
172.09908	1.1
172.11223	1.6
173.05853	1.4
173.07094	1.7
173.13206	1.1
174.09102	1.5
175.07497	1.3
175.11174	1.0
177.05356	0.9
181.06429	2.9
181.08670	1.1
182.07217	1.3
183.06517	1.1
183.08047	12.7
183.11497	0.9
184.07547	1.7
184.11226	2.0
185.05803	1.5
185.07156	1.4
185.13272	0.7
186.09157	1.7
186.11418	1.8
186.12794	1.6
187.08630	2.6
187.12260	1.9
189.10204	1.4
193.06442	2.1
196.05093	1.7
197.05934	1.0
197.08258	1.7
198.09090	2.2
199.05038	1.8
199.08636	2.2
199.14825	1.2
200.09381	3.2
200.10916	1.5
201.05396	2.0
201.10214	1.2
201.13855	5.7
201.16385	0.9
202.12239	1.5
207.04311	2.1
210.06810	1.1
211.07489	12.5
212.08728	1.3
212.10712	8.3
213.06573	3.0
214.07364	1.7
214.10782	2.3
214.12306	3.1
215.08202	10.3
215.11943	4.3
216.10201	1.0
225.09157	2.2
226.08574	1.5
227.08104	2.6
227.11687	1.9
228.08994	7.6
229.04947	5.2
229.09634	5.9
229.13347	33.0
230.11757	1.8
239.07008	4.6
239.11807	2.0
240.10182	3.1
242.10448	4.6
243.11496	17.2
245.08174	1.4
247.06078	1.0
253.08829	0.8
257.04456	4.7
257.08176	8.0
257.12845	100.0
258.08749	1.4
258.11197	13.0
258.13312	1.1
259.14459	3.5
268.09641	2.8
269.08206	1.1
271.09680	11.9
272.10339	1.7
274.04642	0.7
274.10739	1.5
275.13696	1.8
285.12338	84.4
286.10635	28.7
287.11108	1.8
288.10010	1.0
303.04996	45.9
303.13361	29.8
303.23077	4.8
304.05316	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	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.8
55.01865	5.5
55.05499	5.5
56.05019	4.3
60.04515	8.4
65.03934	5.1
67.05501	18.4
68.04999	1.9
69.03432	3.7
69.07059	6.1
70.06593	33.4
71.57437	2.7
72.08155	8.7
79.05491	10.6
80.05018	11.8
81.03413	3.3
81.07045	7.1
83.04961	2.6
84.04501	5.6
84.06107	1.9
84.08138	26.2
85.02920	2.1
85.08481	2.0
86.09174	1.9
86.09695	35.4
90.16722	1.7
91.05486	36.7
93.07045	9.8
94.06568	24.3
95.04974	9.9
95.08604	7.9
96.04444	4.6
97.06522	5.6
98.06048	2.3
100.56236	1.7
102.05484	1.9
103.05462	6.1
104.05345	1.7
105.07053	9.5
106.06537	2.3
107.04948	6.9
107.08604	5.6
108.04483	3.5
108.08108	3.6
109.02848	3.2
109.06487	2.2
109.10153	3.6
110.06045	5.4
110.07178	11.4
111.04411	2.4
114.05556	2.6
115.05455	2.7
115.08701	2.5
117.06997	10.1
118.06537	1.9
119.04953	10.9
119.08572	4.2
120.08095	19.9
121.02850	2.0
121.06514	6.4
121.10175	3.6
122.06024	51.8
123.04424	16.4
123.08113	2.2
124.03918	2.1
124.07558	4.0
124.11194	1.9
126.05581	2.2
129.07004	4.4
129.10233	15.7
130.06598	3.1
131.04932	4.2
131.08560	12.9
132.04468	5.5
132.08084	2.2
132.10207	4.5
134.06023	7.2
135.04413	9.9
136.07576	100.0
137.02371	6.7
137.05977	71.1
138.05461	2.6
139.03874	2.5
141.06996	3.1
142.12283	3.1
144.08087	2.9
144.12068	2.3
145.06445	4.9
145.10127	17.8
146.06033	8.8
146.11809	2.6
147.04378	10.2
148.07607	3.5
149.05965	4.9
150.05502	74.1
151.03941	9.6
151.06361	8.8
152.07092	11.2
153.01849	9.7
153.05504	2.3
153.07021	2.3
155.08516	4.3
160.07593	8.0
161.05969	5.2
162.05519	2.2
162.09158	3.4
163.03871	3.3
163.07436	2.4
164.07060	48.8
165.01826	3.3
165.05473	4.4
165.06941	4.0
166.02550	1.8
166.04999	5.7
169.08836	2.6
170.09636	5.2
172.09998	2.0
173.09613	3.3
174.09062	2.4
177.05457	4.0
179.07048	1.8
181.99939	2.2
182.08124	18.9
183.08115	7.4
184.07445	2.9
184.11313	3.0
187.07457	2.7
187.12369	6.7
188.07098	5.7
188.10876	1.9
189.05394	2.0
198.09140	30.0
200.09438	3.2
201.05479	3.6
201.08926	2.0
206.08133	2.2
207.11246	3.3
211.07571	11.5
212.10750	6.1
215.11832	19.8
216.10201	5.0
219.06459	3.9
226.08585	7.4
229.04962	7.9
229.08614	6.7
229.13387	2.2
234.07605	44.2
239.07066	4.9
240.10225	5.8
243.06247	2.4
243.11316	75.6
243.17081	5.2
244.11729	2.4
245.08099	2.3
257.04544	2.0
257.05515	2.8
257.08093	22.5
257.12793	16.4
258.11258	8.8
258.18536	3.3
268.09698	6.8
269.08023	3.4
271.09720	4.6
274.10831	4.2
285.12329	96.0
285.22272	1.8
286.10696	77.0
287.11206	2.6
290.27698	2.1
303.05032	88.0
303.08749	8.7
303.13385	47.8
303.17062	2.9
303.22916	3.4
304.05423	4.7
304.11993	3.2
304.15463	37.7
304.18796	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	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01867	2.5
55.05499	2.5
56.05023	0.8
60.04522	1.5
65.03946	1.1
67.05501	4.9
68.05051	0.6
68.99785	1.2
69.03423	0.9
69.07063	1.5
69.72302	2.7
69.72717	1.1
70.02946	1.9
70.06587	4.7
72.08158	3.2
73.02904	0.6
73.64759	0.6
76.02242	0.7
79.05481	2.9
80.05012	4.7
81.03423	1.1
81.07047	1.6
83.06107	1.3
83.08619	1.1
84.04493	2.4
84.08146	4.5
85.02898	1.8
86.09697	3.3
91.05489	7.0
93.07033	2.1
94.06564	7.2
95.04958	3.3
95.08586	1.7
96.04478	1.7
96.08117	0.8
97.06519	0.7
98.20839	0.9
99.04470	0.7
101.02383	1.3
103.05460	1.9
104.04952	0.8
105.07034	1.8
106.06560	1.5
107.04953	2.5
107.08513	0.6
108.08086	1.7
109.02889	1.1
109.06519	1.4
109.10231	0.6
110.06046	4.2
110.07157	5.0
111.00792	0.9
112.08755	0.6
113.73263	0.6
117.06989	1.4
119.04921	2.1
119.08578	3.1
120.04444	1.2
120.08092	5.9
121.02856	1.7
121.06513	3.5
121.10056	0.6
122.02724	1.0
122.06028	16.4
123.04401	3.3
123.08084	0.9
124.07603	5.2
127.03931	0.9
129.06932	1.1
129.10208	2.7
130.04968	1.2
130.06506	4.0
131.08531	1.3
132.04462	1.1
133.10126	3.1
134.06026	3.3
135.04407	3.4
136.07574	16.4
137.02321	4.7
137.05977	7.7
138.05498	7.4
138.09146	7.9
140.07030	1.3
142.07732	0.8
143.08540	1.7
144.08080	1.2
144.09262	0.6
145.06512	1.0
145.09088	0.8
145.10120	4.7
147.04381	1.9
147.08089	3.0
148.07552	2.9
150.05504	14.1
151.03893	1.5
151.06363	1.2
151.07426	0.8
152.07091	4.9
153.01775	2.8
153.06981	1.1
155.08531	1.3
156.07813	0.8
157.10188	1.2
158.09673	0.7
158.21935	0.6
159.08000	1.4
159.11662	3.0
160.07533	1.3
160.11238	1.1
161.05988	1.1
161.09608	2.2
162.05484	9.5
163.03909	5.4
163.07535	1.0
164.07047	3.2
165.01849	1.0
165.07025	1.9
165.09123	3.2
166.05022	1.6
167.03377	3.3
169.08862	1.5
169.10170	0.8
170.09572	1.0
171.08046	1.2
172.07597	1.5
173.05974	1.4
173.09589	3.4
174.09119	1.5
175.07529	0.8
175.11124	0.9
178.05003	1.6
180.06584	1.4
183.07959	1.3
183.10278	0.8
184.07489	1.0
184.11243	1.8
185.09569	0.9
186.09143	1.7
186.12733	1.0
187.07471	1.2
187.11192	4.6
188.06967	0.9
188.10651	3.1
189.09088	3.5
194.09752	0.8
195.09290	0.9
196.09924	2.7
198.09256	1.3
199.08815	0.9
201.05420	1.4
201.10394	0.8
201.13847	0.9
202.12338	1.3
206.08357	6.9
209.10625	0.7
211.07535	2.1
211.12331	3.4
212.10764	3.5
213.10292	1.9
215.10611	3.3
216.10172	9.5
218.11639	0.9
220.09869	1.2
221.10696	2.3
223.08662	2.0
224.09447	2.9
227.11748	0.8
229.04958	2.0
229.08543	1.1
229.13379	4.7
230.11800	3.8
237.10208	1.2
238.11020	2.8
239.07004	0.9
239.11778	8.7
240.10222	2.4
241.09566	2.1
242.11797	1.2
243.09929	3.7
244.09663	2.5
247.14412	1.2
255.11263	2.4
256.12143	1.7
257.04480	1.0
257.05453	1.0
257.08105	5.6
257.12857	11.0
258.08704	0.5
258.11237	11.9
260.12769	2.7
267.11313	11.0
267.14063	0.9
268.09717	2.2
269.08170	0.9
271.09708	1.0
274.10556	1.1
274.13168	1.2
275.13934	4.4
285.03955	0.6
285.09116	1.4
285.12320	27.4
286.10706	31.4
303.05051	32.5
303.13376	100.0
304.05200	2.0
304.13577	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	303.1227
Annotation	CHEBI:70191
Peak:m/z	Relative Intensity
53.03929	3.3
53.07291	0.7
55.01873	20.7
55.05504	0.9
67.05502	2.0
69.03419	1.1
69.07044	0.9
70.06597	1.6
70.48225	3.1
72.08146	0.8
72.37076	0.8
74.69630	0.8
79.05496	12.1
80.05018	1.6
81.03387	1.0
81.07049	2.2
84.08151	1.2
86.09701	1.9
91.05482	6.0
93.07028	3.7
95.04967	6.0
95.08607	3.9
96.61302	0.8
100.66919	0.8
103.05447	3.2
105.07045	5.5
107.04955	100.0
107.08584	2.2
108.05263	2.2
109.06525	2.1
109.10145	1.7
117.07044	1.2
119.04936	2.7
119.08611	1.5
121.05675	1.3
121.06502	15.7
121.10163	1.3
122.06017	2.7
123.04408	2.3
123.08062	1.5
129.06825	0.8
131.04930	13.1
131.08553	1.3
133.06477	2.5
135.04376	1.1
135.11687	1.3
137.05988	8.1
140.04716	0.9
145.06427	1.0
147.04416	1.8
149.05978	17.1
149.09706	0.8
150.05516	6.8
151.06367	1.6
151.07495	6.1
152.07007	1.1
153.05457	2.6
155.07034	45.2
163.07535	1.3
165.06946	2.5
167.07001	6.7
175.07593	0.8
179.07053	6.4
181.05029	1.9
181.08597	7.1
182.07262	1.0
183.08031	2.9
184.07253	1.6
191.07068	1.3
196.05222	1.1
197.08072	10.8
201.09055	1.2
209.06122	1.1
209.08081	19.8
210.06703	1.2
211.07536	2.9
211.76251	0.8
225.09120	2.0
225.76474	0.8
239.06975	1.5
243.10216	2.3
253.08670	4.3
257.08139	2.3
257.11673	1.6
257.22849	0.8
269.08206	0.8
271.09650	3.0
285.11209	48.7
286.10779	13.5
303.04950	7.0
303.12244	11.3
303.23093	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	303.1226
Annotation	Phoyunbene A
Peak:m/z	Relative Intensity
53.03932	2.5
55.01856	7.7
55.05505	6.6
65.03934	4.0
67.05485	9.5
68.05022	2.6
69.03416	4.0
69.07072	9.2
69.54780	10.3
69.55195	3.4
70.06590	2.5
71.05003	4.7
79.05508	12.6
80.04996	7.7
81.03414	2.4
81.07046	15.3
83.04976	4.7
83.08608	2.4
84.04500	2.0
84.08145	3.5
85.06528	2.1
86.09708	2.3
91.05473	40.4
93.07042	14.7
94.06577	5.2
95.04957	14.5
95.08601	15.8
97.06526	2.4
99.04436	5.3
103.05455	23.7
105.03371	3.1
105.07028	13.8
106.04166	1.7
107.04953	8.8
107.08575	10.9
108.05743	2.9
109.06506	6.7
109.10148	7.8
110.06023	3.1
110.07181	3.1
111.04432	10.1
113.05976	2.8
115.05459	7.9
116.06258	1.8
117.03364	1.8
117.07002	5.1
118.97231	1.7
119.04939	17.3
119.08564	11.8
120.05822	1.8
121.02870	3.2
121.06503	19.4
121.10120	12.7
122.03652	4.4
122.05988	13.0
123.04424	9.8
123.08075	4.0
123.11703	4.6
125.05962	3.0
125.09611	2.0
127.03935	4.0
129.05428	2.5
129.06966	6.0
129.10240	3.3
131.04913	31.4
131.08592	4.5
132.04417	4.4
133.02824	5.1
133.06514	3.7
133.10126	7.6
134.03688	3.1
134.05925	2.4
135.04411	7.9
135.08040	5.7
135.11705	6.0
136.05214	4.2
137.02353	4.4
137.05978	42.6
137.09619	4.0
140.06184	3.2
141.06982	10.7
143.04900	3.3
143.08505	3.8
145.06499	7.2
145.10123	7.3
147.04405	6.1
147.11697	8.0
149.05981	19.4
149.09654	3.0
149.13222	1.7
150.05492	25.5
151.03889	5.1
151.06323	4.1
151.07523	44.3
151.44009	1.8
152.04857	1.6
152.06183	7.7
153.01859	4.2
153.05472	22.2
153.06979	34.4
154.07683	5.6
155.08554	24.6
157.06433	4.9
157.10168	4.0
159.11702	5.6
160.05119	2.0
161.06004	2.7
161.13234	5.2
162.06758	3.2
163.03937	3.9
163.07533	25.9
165.05475	4.7
165.06973	76.8
166.07420	3.1
167.03435	3.0
167.07022	5.0
167.08498	3.5
168.05696	24.1
169.06453	9.4
171.08041	2.9
171.11713	3.5
173.13272	1.8
175.07520	8.7
175.14830	2.2
176.08286	2.2
177.09093	6.7
179.04900	2.8
179.07054	6.1
181.06479	21.7
181.08618	6.5
182.07271	13.4
183.04471	2.4
183.08043	80.9
185.05937	8.7
187.07501	4.8
187.14824	1.7
193.06299	13.2
194.07300	2.6
196.05162	19.3
197.05997	11.1
197.09621	5.1
198.06728	3.0
199.07550	6.3
199.14862	3.9
200.08316	6.8
201.09096	6.4
201.16411	3.1
203.06999	2.3
207.04404	18.4
207.06238	2.9
209.05937	3.3
210.06718	10.0
211.07533	85.9
211.14775	2.2
212.08240	10.3
213.05389	11.7
213.09056	3.6
215.10658	15.9
221.05989	5.5
224.04721	2.5
225.05563	3.3
225.09085	15.7
227.07019	6.0
228.07794	7.6
229.04933	2.4
229.08531	7.5
239.07004	28.8
241.04965	5.2
241.08620	3.0
242.09355	2.7
243.10129	58.9
245.08080	8.8
253.08569	8.1
256.07260	4.9
257.08090	20.8
257.10892	2.0
257.12000	2.3
267.21146	2.6
268.09729	3.7
269.08170	2.7
271.09613	100.0
272.10184	12.8
273.07526	1.9
275.12766	6.0
285.12097	7.6
285.22195	6.2
286.10727	50.0
288.09930	7.6
303.04980	35.7
303.12247	46.2
303.23123	20.3
304.05429	5.1
304.12656	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.65954	0.1
53.03948	0.1
55.01860	0.4
56.07130	0.1
58.48708	0.1
65.03930	0.6
67.01846	0.5
67.05493	0.4
68.99442	0.2
68.99789	2.5
69.97012	0.5
69.97420	0.3
71.01350	0.2
72.08148	0.2
76.05090	0.1
79.05500	0.1
80.05004	0.3
81.03402	0.8
81.07037	0.2
84.04433	0.1
84.08147	0.2
86.09703	0.2
91.05507	0.6
93.03407	0.7
94.06573	0.3
95.04961	1.0
95.08592	0.1
97.06528	0.1
105.03386	0.4
105.07043	0.3
107.01315	0.2
107.04948	0.3
107.08575	0.2
109.02881	1.3
110.03654	0.2
111.00795	2.1
111.04430	0.2
115.05464	0.4
117.06968	0.5
119.04930	0.4
120.08076	0.2
121.02866	2.0
122.06036	0.5
123.04436	1.1
127.03899	0.5
128.06226	0.1
129.07033	0.1
131.04921	0.5
133.06485	0.2
135.04422	0.6
137.02344	8.5
137.03413	0.5
137.05972	1.3
143.04886	0.2
145.02841	0.3
145.06488	0.9
147.04364	0.2
149.02354	0.8
150.05505	1.5
152.07091	0.2
153.01825	10.7
154.02177	0.3
155.04910	1.4
155.06038	0.2
157.06453	0.2
159.04436	0.3
161.06017	0.9
163.03928	1.3
165.01830	4.3
166.02638	0.6
167.03384	0.1
170.66576	0.1
171.02934	0.2
173.05980	1.4
177.05455	0.3
179.03368	0.5
183.02887	1.7
183.04413	1.1
183.08035	0.1
184.05196	0.1
185.06007	0.1
187.03882	0.8
191.03369	0.4
191.07092	0.2
194.02028	0.1
195.02930	0.5
200.04686	0.2
201.05467	4.3
202.05717	0.2
203.03314	0.1
205.04912	0.7
207.02835	0.3
211.03893	0.5
211.07594	0.1
213.05464	0.2
215.03355	0.3
217.64023	0.1
219.02945	0.2
219.06509	0.5
228.04262	0.6
229.04964	10.1
229.13290	0.1
230.05363	0.3
233.04460	0.2
239.03468	0.4
243.11305	0.2
245.04515	0.2
247.06038	1.4
257.04437	5.5
257.07916	0.3
257.12720	0.2
258.04886	0.3
267.02942	0.1
274.04703	1.3
275.05490	0.4
285.03949	2.5
285.12387	0.3
286.04477	0.2
286.10678	1.2
303.04974	100.0
304.05347	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	303.0487
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.02385	0.1
53.03933	0.3
55.01870	0.9
55.05505	0.3
65.03925	0.6
67.01852	0.4
67.05502	0.7
68.99403	0.1
68.99781	2.3
69.03423	0.3
69.07072	0.3
69.87637	0.6
70.06574	0.4
71.01362	0.1
71.04986	0.3
72.08138	0.1
75.01582	0.1
77.03911	0.1
79.05468	0.5
80.05003	0.9
81.03410	0.9
81.07061	0.7
83.04993	0.2
83.08602	0.1
84.04511	0.2
84.08116	0.4
86.09697	0.6
88.03963	0.1
91.05475	1.8
93.03417	0.8
93.07038	0.7
94.06563	0.6
95.01331	0.1
95.04965	1.5
95.08585	0.5
97.06558	0.2
99.04485	0.3
100.11223	0.3
103.05442	0.9
104.04977	0.1
105.03394	0.4
105.06988	0.7
106.06532	0.2
107.01318	0.1
107.04958	0.8
107.08581	0.4
109.02878	1.0
109.06525	0.3
109.10120	0.3
110.03631	0.2
110.06010	0.3
110.07160	0.3
111.00789	1.9
111.04401	0.4
111.08037	0.1
115.05448	0.5
117.07037	0.6
119.04926	0.8
119.08557	0.4
120.05703	0.1
120.08080	0.3
121.02844	2.4
121.06496	1.1
121.10112	0.2
122.03647	0.1
122.06010	1.0
123.04430	1.1
123.06706	0.1
124.05179	0.1
126.02990	0.1
127.03922	1.0
128.06166	0.2
129.05479	0.1
129.06995	0.3
129.10210	0.2
131.04904	1.4
131.08504	0.2
132.04433	0.3
133.02812	0.2
133.06465	0.3
133.10098	0.3
134.03661	0.2
134.05995	0.2
135.04407	1.2
135.11708	0.1
136.05188	0.1
137.02332	8.5
137.03404	0.5
137.05943	2.1
139.03853	0.1
139.05342	0.1
141.06970	0.4
141.32198	0.1
143.08545	0.2
145.02808	0.2
145.06462	0.9
145.10144	0.2
147.04395	0.5
147.11668	0.2
149.02345	1.0
149.05974	0.9
149.61894	0.1
150.05495	1.9
151.03888	0.3
151.06267	0.3
151.07521	1.6
152.06049	0.2
152.07079	0.4
153.01811	10.0
153.05458	0.9
153.06894	1.1
154.07703	0.2
155.04887	1.1
155.05977	0.2
155.07309	0.2
155.08508	0.9
157.06494	0.3
157.10170	0.2
159.04344	0.3
160.05162	0.2
161.05946	0.8
163.03899	1.3
163.07558	0.9
165.01822	3.6
165.05592	0.2
165.06970	2.5
166.02594	0.3
167.03406	0.2
167.04962	0.2
167.07063	0.2
167.08553	0.1
168.05695	1.1
169.06393	0.3
171.02875	0.4
171.08058	0.2
171.11501	0.1
173.05986	1.6
175.07515	0.2
175.11108	0.2
177.01767	0.2
177.05479	0.5
177.09105	0.2
179.03409	0.4
179.08455	0.1
181.06468	0.7
181.08600	0.1
182.07268	0.3
183.02866	1.6
183.04422	0.9
183.08031	2.9
184.05136	0.2
185.05968	0.5
185.13277	0.1
187.03949	0.8
187.07515	0.2
187.14865	0.2
189.05428	0.1
189.09128	0.1
191.03368	0.5
191.07018	0.2
191.60561	0.1
193.06480	0.3
195.02879	0.4
196.05127	0.7
197.05989	0.4
197.09575	0.1
198.12834	0.1
199.07521	0.3
200.04642	0.2
200.08293	0.2
201.05446	4.1
201.09029	0.2
205.04973	0.5
207.02734	0.1
207.04474	0.6
210.06758	0.4
211.03908	0.4
211.07526	3.6
212.04683	0.1
212.08214	0.3
213.05473	0.6
215.03365	0.3
215.10611	0.6
216.10185	0.1
217.04944	0.1
219.02893	0.3
219.06485	0.6
221.05989	0.3
225.05539	0.1
225.09149	0.5
227.07022	0.4
227.17584	0.1
228.04247	0.5
228.07787	0.4
229.04947	9.5
229.08615	0.5
229.13374	0.1
230.05472	0.2
232.03676	0.1
233.04503	0.1
239.03473	0.6
239.06992	1.0
240.10155	0.2
241.04916	0.2
242.09305	0.2
243.10074	2.1
245.04515	0.2
245.08081	0.2
246.05336	0.1
247.05989	1.2
253.08606	0.3
255.06500	0.2
256.07324	0.3
257.04422	5.1
257.08026	1.3
257.12756	0.5
258.04962	0.2
261.03790	0.1
268.09723	0.3
269.07996	0.2
271.09610	3.3
272.10419	0.4
274.04718	1.2
274.10739	0.3
275.05444	0.2
285.03955	2.3
285.12329	1.1
285.21902	0.2
286.04547	0.3
286.10715	4.3
288.09946	0.8
303.04953	100.0
303.22900	0.7
304.05350	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	302.3051
Annotation	Sphinganine
Peak:m/z	Relative Intensity
52.17282	0.3
53.44377	0.3
57.07076	7.9
58.06580	0.6
62.06079	0.7
70.06589	14.0
70.20253	1.6
70.20592	0.5
71.08623	2.9
75.93152	0.4
79.04333	0.4
83.01483	0.3
85.10170	1.4
88.07625	17.3
96.41710	0.4
101.81669	0.4
102.09177	4.8
106.08665	9.5
240.26881	0.4
258.27972	1.3
262.48727	0.4
284.29468	6.6
302.30508	100.0
303.30869	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01863	0.9
55.05495	0.3
56.05017	0.2
65.03942	1.0
67.01848	0.5
67.05498	0.7
68.05030	0.1
68.99445	0.2
68.99786	2.4
69.03419	0.3
69.07051	0.4
70.06586	0.8
71.01347	0.2
71.59855	0.2
72.08164	0.3
72.77187	0.1
79.05482	0.5
80.05013	1.0
81.03417	0.9
81.07052	0.3
82.06575	0.2
83.04965	0.2
84.04507	0.3
84.08121	1.1
85.02908	0.1
86.09692	1.0
87.10024	0.1
91.05476	1.9
93.03394	1.0
93.07024	0.5
94.06567	0.8
95.04967	1.3
95.08568	0.4
96.04539	0.1
97.02876	0.2
103.05439	0.4
104.04993	0.2
105.03396	0.4
105.07045	0.6
106.06549	0.2
107.04945	0.7
107.08559	0.4
109.02880	1.6
109.06493	0.2
109.10143	0.2
110.06044	0.5
110.07140	0.3
111.00793	2.0
111.04433	0.4
115.05434	0.4
117.06999	0.7
119.04930	0.7
119.08530	0.4
120.08126	0.9
121.02851	2.5
121.06503	0.5
121.10102	0.3
122.06020	1.8
123.04432	1.3
127.03908	0.5
128.06212	0.2
129.06969	0.3
129.10229	0.4
131.04926	0.7
131.08553	0.2
132.04433	0.4
133.02882	0.2
133.06427	0.2
133.10101	0.3
134.06039	0.3
134.88681	0.2
135.04407	1.1
135.11635	0.3
136.05151	0.2
136.07507	0.2
137.02338	8.5
137.03362	0.4
137.05959	3.2
138.02618	0.2
141.07040	0.2
143.04906	0.2
145.02820	0.4
145.06496	0.8
145.10107	0.3
146.05922	0.2
147.04376	0.5
147.11624	0.2
149.02341	0.9
149.05969	0.4
150.05496	3.8
151.03896	0.2
151.06273	0.5
151.07486	0.3
152.07066	0.5
153.01822	11.6
153.07001	0.3
154.02118	0.3
155.04884	0.9
155.06059	0.3
155.08533	0.2
157.06496	0.3
159.04385	0.4
159.11661	0.2
161.06018	0.7
163.03922	1.4
163.07452	0.2
163.11327	0.2
165.01825	3.8
165.07004	0.5
166.02649	0.7
166.08632	0.3
167.03307	0.2
168.05713	0.2
171.02910	0.3
171.04323	0.1
173.02452	0.1
173.05962	1.7
173.07352	0.2
173.87306	0.2
175.07497	0.2
177.01840	0.3
177.05478	0.4
179.03346	0.4
183.02858	2.0
183.04424	1.2
183.08009	0.8
184.07306	0.7
185.07718	0.2
187.03925	1.1
191.03398	0.4
191.07018	0.3
193.06445	0.2
195.02921	0.5
196.05023	0.2
199.07370	0.2
201.05460	4.7
202.05923	0.2
205.04913	0.6
207.02885	0.2
211.03929	0.4
211.07533	1.2
212.10750	0.1
213.05444	0.3
215.03383	0.2
216.10147	0.2
219.02911	0.3
219.06570	0.7
220.17081	0.1
227.06862	0.1
228.04167	0.8
229.04950	9.9
229.08632	0.4
229.13216	0.2
230.05267	0.3
231.02924	0.2
233.04222	0.2
239.03337	0.6
239.06992	0.3
240.10260	0.2
241.08493	0.2
243.11128	0.2
245.04492	0.2
247.06050	1.4
253.97038	0.1
256.09967	0.2
257.04431	5.4
257.08072	1.9
257.12909	0.5
258.04892	0.3
258.11264	0.2
261.03961	0.2
267.11337	0.3
268.09659	0.5
269.08109	0.3
271.09680	0.4
274.04733	1.4
274.10724	0.6
275.05493	0.3
285.03964	2.5
285.12302	1.8
286.07465	0.2
286.10730	7.3
303.04968	100.0
303.22934	0.5
304.05322	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	302.2074
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
50.48521	0.4
55.05510	1.0
56.05030	0.7
60.04521	0.6
65.15691	0.4
67.05506	1.0
69.07065	4.2
70.06599	4.3
70.80892	0.8
71.04984	0.4
72.08139	2.5
74.06039	0.4
75.05607	6.0
79.05490	1.1
80.05011	1.4
81.07068	0.6
83.04990	0.6
84.04513	1.4
84.08142	2.8
86.09704	100.0
87.10033	1.1
91.05490	2.3
93.07063	0.5
94.06546	1.2
95.04959	1.2
95.08613	0.5
98.06046	0.5
102.84003	0.4
105.06988	0.4
106.06545	0.8
107.04951	1.3
109.02882	0.4
110.06051	0.9
110.07155	1.5
115.54207	0.4
119.04982	0.7
120.08097	1.4
121.02858	0.5
121.06522	0.6
122.06041	2.2
123.04405	1.0
128.05954	0.4
129.10255	1.4
130.06531	0.5
130.08662	0.7
132.04462	0.8
132.10201	11.6
134.06018	1.3
135.04425	1.5
136.04846	0.4
136.07582	1.1
137.02316	1.0
137.05972	4.2
143.11795	47.6
144.12126	0.6
146.06009	0.6
147.04430	0.6
148.07552	0.5
150.05504	5.1
151.03928	0.5
151.06166	1.3
151.07442	0.4
152.07074	2.6
153.01857	1.0
153.07338	0.6
162.05449	1.1
165.01891	0.5
165.07082	0.5
171.11295	13.8
183.07935	0.4
184.07376	0.9
189.12343	6.4
211.07568	1.5
216.10127	0.4
227.06647	0.5
229.04927	1.5
239.07040	0.9
243.11287	0.7
244.09468	0.5
257.04443	0.5
257.08096	2.5
257.18643	0.4
268.09741	0.6
269.08038	0.6
274.10788	0.9
284.11148	0.6
285.12399	1.2
286.10739	9.0
302.04208	0.8
302.11890	0.5
302.14288	0.5
302.17230	0.6
302.21399	1.9
303.04990	10.6
303.13306	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	302.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83053	0.4
55.01868	0.5
55.05496	0.7
56.05023	1.0
57.03443	0.5
58.43534	0.4
60.04525	0.8
63.88533	0.4
67.05498	1.3
69.07076	5.4
70.06598	5.0
72.08151	2.8
75.05602	7.4
79.05476	1.0
80.05027	1.5
81.03405	0.6
82.06573	0.6
84.04517	1.2
84.08157	3.1
86.09707	100.0
87.10075	1.1
88.03988	0.7
91.05490	2.6
92.45994	0.4
93.07045	0.7
94.06564	1.7
95.04937	0.7
95.08602	0.9
97.06523	0.8
99.04460	0.7
103.05473	0.8
105.74636	0.4
106.06554	1.1
107.04964	1.2
109.02873	0.7
110.06045	1.0
110.07179	1.1
116.07043	0.5
117.07052	0.7
119.04949	1.2
120.08126	1.4
121.06516	1.1
121.08476	0.5
122.05286	0.4
122.06027	2.8
123.04408	1.0
129.10266	1.4
130.08664	1.1
132.04443	0.8
132.10193	10.6
133.06493	0.6
134.06010	0.9
135.04451	1.3
135.06406	0.7
136.07568	0.7
137.02350	1.0
137.05968	3.3
143.11798	48.0
147.04416	0.7
149.58084	0.5
150.05513	6.0
150.06598	0.8
151.06161	1.5
152.07088	2.5
153.01880	1.3
153.07346	1.0
156.04729	0.4
158.06056	0.5
163.03915	0.6
165.07129	0.4
171.11288	14.6
184.07378	0.7
189.12357	4.3
201.05565	0.7
211.07545	1.2
216.10118	0.7
229.05003	0.7
229.08696	0.6
239.07100	0.6
243.11368	0.6
257.04703	0.7
257.08136	2.8
257.18628	0.6
258.11267	0.6
262.79456	0.4
271.09637	1.0
274.10605	0.6
285.12506	1.5
286.10739	9.0
297.10748	0.5
302.04355	0.8
302.11993	1.0
302.21637	2.3
303.04971	10.6
303.08371	0.8
303.13550	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	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58429	0.3
53.27405	0.2
55.01861	0.5
55.05503	0.9
56.05022	0.7
57.05818	0.3
58.06613	0.3
60.04512	0.6
67.05501	1.1
69.03407	0.4
69.07065	9.5
70.06589	4.5
71.54566	0.4
72.08148	4.1
73.08492	0.6
74.06075	0.5
75.05598	0.4
76.02223	0.3
79.05470	0.7
80.05023	0.9
81.07063	0.6
84.04498	1.8
84.08148	3.9
85.02871	0.3
85.06499	0.3
86.09702	100.0
87.10046	1.1
90.05519	0.4
91.05476	2.5
92.21758	0.3
93.07047	0.6
94.06564	1.4
95.04961	0.6
95.08607	0.5
96.78012	0.3
98.06062	0.3
105.07018	0.4
105.61845	0.3
106.06564	0.4
107.04958	1.3
107.08617	0.3
109.02892	0.4
110.06072	0.6
110.07143	0.9
111.00807	0.3
114.05544	0.3
119.04948	1.2
119.08559	0.3
120.08069	0.9
121.06519	0.8
122.06018	2.1
123.04402	1.0
129.10240	2.9
130.05037	0.6
130.06520	0.5
130.08662	0.7
130.10594	0.4
132.04401	0.4
132.10191	8.3
134.06042	1.1
135.04417	1.2
136.07570	0.9
137.02354	0.9
137.05972	7.0
138.05504	0.3
139.04005	0.3
141.07071	0.3
143.11789	8.7
147.04420	0.8
148.07639	0.4
149.05931	0.3
150.05489	4.2
151.06232	0.7
152.07094	2.2
153.01842	1.1
153.07240	0.4
159.09200	0.6
162.05556	0.5
163.04001	0.6
164.07095	0.4
171.11278	8.8
173.05920	0.3
173.09477	0.4
181.06366	0.3
183.08052	0.6
184.07436	0.4
189.12323	8.6
195.13052	0.3
201.05400	0.4
211.07558	1.2
213.05391	0.4
229.04970	1.1
239.07086	0.4
239.11847	0.4
257.04886	0.4
257.08105	2.3
257.18610	0.3
258.11203	0.4
267.11075	0.3
268.09579	0.4
269.08267	0.4
271.09659	0.5
273.09564	0.7
274.10510	0.4
285.09512	0.3
285.12222	1.7
286.10727	7.1
302.04156	0.5
302.11856	0.7
302.17789	0.5
302.21518	2.4
303.04959	7.8
303.08395	0.5
303.13391	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01854	2.8
55.05493	2.3
56.05023	4.2
57.02698	1.2
57.03420	2.8
57.26875	1.1
58.06568	1.0
60.04510	3.4
61.02909	3.0
65.03924	3.2
67.05142	2.3
67.05501	41.9
69.03423	17.6
69.07064	23.7
70.06263	1.4
70.06590	16.8
71.04997	1.7
71.06017	1.2
71.06340	2.1
71.06907	1.4
72.07822	1.2
72.08157	15.6
73.02911	1.9
74.06047	3.2
79.05479	2.3
79.70310	1.3
80.04999	3.0
81.03420	7.5
81.07064	2.2
82.06554	1.8
82.95866	1.1
84.04501	20.8
84.08135	17.5
85.02904	53.1
86.02431	2.0
86.09701	37.2
88.04008	1.6
91.05463	3.4
94.06572	2.7
95.04959	64.5
96.99987	1.3
97.02886	43.3
99.04415	1.8
99.05585	1.5
99.83003	1.0
102.05518	2.3
103.03927	5.0
105.07014	1.6
106.06561	1.2
107.04945	1.8
108.08141	1.3
109.02868	9.4
110.06008	4.3
110.07130	2.4
112.07600	41.0
113.05994	5.1
115.08689	1.4
116.07083	1.5
120.08085	3.6
120.60320	1.0
122.06052	6.7
123.04433	9.5
124.04785	3.1
124.07609	2.8
127.03925	8.9
129.10207	9.0
130.04993	2.5
130.08653	2.3
134.06001	5.2
135.04404	2.7
135.06392	1.5
136.07558	5.0
137.05960	5.5
140.07060	100.0
141.07408	1.6
145.04958	2.5
146.05997	3.1
150.05492	7.6
150.09113	2.2
151.06253	1.1
151.09402	1.7
152.07013	5.2
154.08577	8.4
155.08090	1.3
159.11366	2.2
160.07561	1.3
164.07033	2.9
178.08620	4.2
182.08122	56.4
183.08286	1.2
199.18054	2.6
206.08083	11.6
207.08397	1.2
211.07600	1.4
214.58128	1.2
218.08063	3.1
236.09279	1.6
243.12062	2.0
244.13139	1.6
248.09106	8.4
255.12006	1.7
257.08066	3.1
268.09589	1.4
271.11661	2.3
273.09705	1.6
284.11426	2.2
284.14624	1.6
285.12546	2.2
286.10803	7.2
297.09897	1.8
300.07031	1.2
302.15762	97.1
302.21548	3.9
303.05112	1.8
303.13440	4.2
303.16382	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	302.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
56.05024	1.7
57.05800	0.7
60.04512	1.1
67.05502	1.2
69.07061	1.1
70.02942	1.7
70.06586	7.5
71.54278	0.6
72.08151	100.0
74.06102	1.0
79.05490	0.9
80.05028	1.6
81.03413	0.7
81.07050	0.9
82.06591	0.8
84.04495	3.4
84.08141	5.0
85.08428	0.6
86.09705	39.0
87.10016	0.6
88.03984	2.1
91.05487	1.8
94.06579	1.3
95.05002	0.6
95.08617	1.2
100.07610	1.2
105.07031	1.2
106.06555	0.6
107.04967	1.2
107.08622	0.8
110.06087	0.7
110.07185	1.6
112.08756	0.6
118.08656	1.0
119.04957	1.1
120.08109	2.2
121.06514	0.6
122.06025	2.6
123.04460	2.0
123.08087	2.6
129.10274	2.4
130.05083	0.9
130.06584	0.9
130.08672	1.4
130.81572	0.5
132.10197	8.1
133.06621	0.5
134.04509	1.3
134.05960	0.7
135.04442	1.3
136.07527	1.0
137.05948	3.7
137.33698	0.5
138.09148	1.5
139.04019	0.5
143.11792	55.8
147.04410	1.2
149.73561	0.6
150.05492	4.6
151.03931	1.0
151.06349	1.1
151.07576	2.8
152.07079	2.0
157.13358	8.2
158.34801	0.6
164.07124	0.8
166.08690	1.2
171.11281	25.5
172.10831	1.2
177.05591	0.7
183.08142	0.6
185.12866	4.9
185.16498	1.1
189.12286	1.1
203.13942	4.5
211.07500	1.0
229.08585	1.4
231.17113	1.6
238.10744	1.3
257.08124	1.2
268.09586	0.6
273.09521	0.6
278.46097	0.5
284.11377	0.9
285.12329	1.0
286.10764	8.4
302.10019	1.0
302.21817	3.8
303.05081	1.2
303.08679	1.0
303.13416	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01852	1.3
55.05510	8.2
56.05033	2.4
60.04528	1.2
60.08165	1.2
65.03935	1.4
67.05494	3.2
67.29729	1.1
68.05040	1.3
69.03426	3.8
69.07058	2.1
70.02943	1.7
70.06594	13.4
70.20059	2.3
70.20451	2.1
72.08150	100.0
74.06080	1.6
79.05488	1.7
80.05021	3.3
81.03405	2.6
81.07063	2.7
84.04513	8.3
84.08140	9.1
85.02899	17.5
86.09701	41.6
87.10033	2.1
91.05482	12.8
93.07047	1.6
93.64360	0.9
94.06580	2.0
95.04971	2.8
95.08606	2.8
97.02902	8.6
97.06539	1.3
98.21471	1.1
102.05521	1.6
103.03908	1.0
105.07056	1.0
107.04966	1.8
108.08117	2.9
109.02886	4.0
110.06038	2.0
110.07161	1.9
110.11392	0.9
116.07094	1.2
119.04932	7.5
120.02108	1.1
120.08099	4.1
121.02860	1.9
122.05989	5.5
123.04433	2.2
123.08044	2.2
125.00053	1.4
126.05450	1.1
126.09158	1.6
127.03894	2.9
129.10194	5.2
130.05011	3.3
130.06546	1.4
130.08598	1.0
132.04466	2.1
132.10191	13.7
134.04590	1.0
134.05960	1.9
135.04388	3.3
136.07593	4.8
137.05975	24.9
138.09114	17.7
140.07047	8.1
143.11789	35.2
145.04942	1.1
146.06017	1.0
148.07581	1.3
149.05971	2.2
150.05492	7.3
151.06261	1.6
151.07452	1.0
152.07085	5.8
153.07472	1.1
154.08635	1.9
157.13292	5.8
159.09193	1.3
162.05428	1.2
163.05930	1.0
164.07040	6.0
166.08630	37.4
171.11281	24.8
172.10822	1.9
173.05952	1.1
173.12648	1.0
177.07890	1.7
178.08659	3.0
180.06664	1.2
182.08130	20.8
184.07343	8.3
185.12891	1.7
186.12521	1.0
188.07233	1.0
203.13913	9.2
206.08130	7.7
225.58607	1.1
229.08536	1.4
231.17178	1.5
248.09233	1.6
252.10298	1.0
256.12000	1.2
257.07892	2.8
267.11221	1.8
268.09454	1.2
274.10605	1.3
284.11044	1.1
285.12317	5.6
286.10706	12.2
302.21872	6.1
303.05002	3.9
303.13251	2.3
320.18713	1.1
321.19040	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	301.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91941	0.2
53.74126	0.2
55.05504	0.5
56.05013	0.3
60.04512	0.2
61.02967	0.2
67.05493	0.3
69.07041	0.8
70.06593	2.9
70.81874	0.5
71.06915	0.2
72.08150	1.8
74.06055	0.2
79.05494	0.3
80.05007	0.3
82.06553	0.3
84.04482	0.8
84.07714	0.2
84.08145	2.3
85.02886	0.9
86.09700	2.4
91.05479	0.2
94.06547	0.5
95.04926	0.3
95.08559	0.2
97.02876	0.5
101.07083	0.3
102.05537	0.2
105.07032	0.2
106.06535	0.6
107.04924	0.4
110.06026	0.7
110.07166	0.3
112.07581	0.6
112.08735	0.2
117.05755	0.2
120.08090	0.7
121.10136	0.3
122.06027	0.6
122.09653	0.4
123.04409	3.8
129.10252	1.2
130.08626	0.2
131.08394	0.2
132.04410	0.2
132.08078	1.2
133.08893	0.3
134.06009	1.4
134.09615	0.7
135.04422	0.5
135.06831	0.2
136.07558	0.3
137.05945	0.4
140.07022	1.1
143.11783	0.3
146.06001	0.3
147.04326	0.3
148.07539	1.3
150.05461	0.7
150.09126	2.3
151.06302	0.4
152.07039	0.9
155.08334	0.2
160.07555	1.1
161.10712	0.7
162.05492	0.2
164.10681	0.4
179.08592	0.2
181.06477	0.3
182.08121	0.7
202.08727	0.2
206.08017	0.2
214.08557	0.6
215.09383	1.8
216.10226	0.3
224.10672	0.3
226.08612	0.2
226.12215	0.4
228.10164	0.9
238.08661	0.2
238.12263	0.4
240.10168	0.4
242.11739	2.8
243.12524	2.3
252.10149	0.7
254.11780	1.6
255.12578	0.4
256.13303	0.3
258.05182	0.2
258.11404	0.3
270.11292	2.4
272.09323	0.3
272.12753	0.6
283.10739	0.6
283.14426	1.3
284.12747	0.3
301.15439	100.0
302.15778	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	301.1179
Annotation	Phenmedipham
Peak:m/z	Relative Intensity
55.01867	4.1
55.05500	4.5
56.05038	3.0
58.99591	1.8
65.03933	3.6
67.05503	5.2
68.05023	5.0
69.07046	6.9
70.02947	4.6
70.06255	2.6
70.06591	26.7
70.95370	5.2
71.06922	1.6
72.08154	19.1
79.05477	7.1
80.05000	10.4
81.07062	2.8
82.06557	6.9
83.04957	2.0
84.04495	8.0
84.08150	35.5
85.02868	1.7
85.07672	2.2
86.06042	2.3
86.09703	23.5
88.03983	4.8
91.05437	9.1
92.04977	1.9
93.07006	2.2
94.06564	13.5
95.04940	3.9
95.06023	1.8
95.08609	9.2
96.04509	3.5
97.02863	2.4
97.04000	3.2
104.04980	3.5
105.07043	3.2
106.06560	12.2
107.04947	19.5
107.08604	3.2
108.04454	3.7
109.02881	1.7
109.03923	1.8
109.06471	1.8
109.10156	2.4
110.06043	21.8
110.07166	4.9
111.04457	2.9
115.08675	2.3
118.06577	2.1
119.04933	1.9
119.08601	2.5
120.04429	4.6
120.05729	2.2
120.08086	2.3
121.06489	2.3
121.10126	2.7
122.06015	25.0
123.04424	8.9
123.06812	4.0
124.07578	3.5
125.03476	2.2
128.90997	1.8
129.10226	16.9
132.04482	10.4
132.08066	2.2
133.10146	2.9
134.06020	19.9
135.04427	21.4
135.06758	3.8
135.11705	1.9
136.06194	5.2
136.07613	3.0
137.02220	2.2
137.05856	8.8
138.05412	3.2
138.06375	9.1
139.03879	3.4
140.07048	4.9
142.06133	3.7
142.42482	1.9
143.11844	2.2
146.05997	3.2
147.11662	3.3
148.03902	3.0
150.05499	58.1
151.06284	29.3
152.07054	42.2
153.03651	2.9
159.06783	2.8
159.11575	2.0
162.05499	8.7
163.02138	2.3
163.08765	3.3
164.01685	2.0
164.07080	5.4
166.05074	2.3
168.71915	2.0
169.03154	2.7
179.09386	13.4
180.04811	14.2
181.03226	3.5
181.06526	2.9
199.07594	3.2
201.12352	2.2
203.72162	1.8
207.04700	5.2
209.06238	6.1
210.09334	2.6
212.07115	2.8
214.08682	4.0
226.08690	2.6
227.06960	3.3
238.08775	6.6
238.11916	5.7
240.10446	6.4
254.08188	2.6
255.06398	2.2
255.11415	3.0
256.09982	14.6
258.05246	3.8
266.08163	3.3
272.09158	27.8
283.10730	14.1
283.13464	2.4
283.17191	2.5
284.09232	11.6
286.04675	5.9
301.07028	7.9
301.11841	100.0
301.15433	31.7
301.18512	4.7
301.21558	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	301.1182
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
51.70715	0.3
51.93386	0.3
55.05414	0.6
57.27702	0.3
65.03825	1.0
67.05369	1.6
67.05750	0.4
68.04929	0.3
69.03339	0.4
69.06946	0.4
70.06479	0.8
71.04903	0.6
72.08037	0.3
75.58469	0.3
79.05348	1.1
80.04909	0.6
81.06962	0.7
81.07410	0.3
82.02789	0.3
83.08524	0.5
84.04380	0.4
84.08015	0.7
86.09588	0.6
91.05336	1.1
92.04858	2.2
92.05473	0.6
93.06874	0.9
94.06455	0.7
95.04848	0.5
95.08472	1.0
97.06403	0.3
105.03255	0.5
105.06883	0.9
106.06439	0.7
107.04832	0.8
107.08459	0.7
108.04325	0.4
109.10019	0.7
110.05940	0.8
115.05358	0.4
117.05588	0.3
117.06913	0.5
118.06438	0.7
119.08453	0.8
120.04313	2.3
121.09963	0.5
122.05869	2.3
126.44527	0.3
128.06131	0.4
129.06877	0.6
129.10020	0.4
130.06448	0.4
131.08493	0.4
132.04256	0.4
133.10081	0.6
134.05852	1.2
135.04292	0.7
135.11601	0.5
136.07542	2.0
141.06912	0.7
142.06389	0.4
143.07190	0.4
143.08440	0.8
144.07932	0.4
145.07588	0.3
145.08740	0.5
146.05920	0.8
147.11620	0.4
148.03812	0.4
150.05507	1.6
151.06165	0.7
152.05959	0.5
152.06981	0.8
153.06845	0.9
154.06366	0.7
154.07605	0.6
155.07210	0.3
155.08466	0.7
156.07924	0.5
157.08771	0.5
157.10008	0.4
158.09514	0.3
159.06633	0.3
159.09012	0.5
159.11615	0.5
160.07417	0.4
161.07021	0.5
162.05377	1.3
165.06902	1.2
167.07170	1.9
167.08470	0.6
168.08089	1.7
169.07523	1.0
169.08769	1.2
169.10062	0.7
170.08253	1.7
170.09576	0.9
172.07494	0.5
172.11136	0.4
173.06946	0.9
173.08284	0.5
181.06473	1.5
181.08792	0.5
182.05852	0.4
182.09653	2.7
183.06673	0.4
183.09163	2.9
184.07544	0.7
184.09845	2.8
184.11441	1.5
185.06963	0.7
185.10614	0.9
186.09035	0.8
187.08664	2.2
190.46417	0.3
194.09721	0.3
195.06636	0.6
195.09227	0.5
196.07480	0.8
197.06955	3.0
197.08507	0.6
197.10689	0.7
198.07843	4.1
198.09396	0.3
199.08473	1.2
199.12300	7.2
200.10622	0.8
201.10204	0.5
209.10696	0.8
210.09143	7.1
211.08629	6.3
212.09250	10.5
213.06693	0.5
213.10246	5.3
222.07864	0.5
223.08647	0.5
225.06613	2.4
225.10168	1.2
226.07420	3.0
226.10934	1.1
227.08148	0.7
227.11783	27.0
228.10066	0.6
228.12167	0.6
237.10194	2.5
238.08611	2.2
239.08148	2.4
240.08922	13.1
241.09758	17.1
242.10239	0.5
253.09669	0.6
254.10481	1.0
255.11276	100.0
256.11807	2.0
257.12848	3.0
258.05368	0.4
259.10803	0.9
266.07974	0.3
269.08075	0.6
272.09113	0.6
273.12393	0.7
283.10773	26.3
283.20569	0.5
286.04810	0.6
301.07150	1.7
301.11844	21.9
301.21445	1.8
301.24756	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	301.1181
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
51.98066	1.0
55.05508	2.2
65.03926	3.0
65.38910	1.0
67.05497	4.5
68.05019	1.3
69.07049	1.8
69.73199	7.1
70.06586	2.8
79.05494	3.6
80.05034	1.0
81.03395	1.0
81.07055	4.0
83.08625	1.5
84.08135	2.3
91.05474	3.1
92.05001	2.8
93.07025	4.7
94.06532	1.9
95.04958	1.9
95.08616	6.4
100.98392	1.3
105.07032	3.6
106.06531	3.0
107.04947	3.2
107.08600	2.7
109.10155	2.2
110.06033	3.6
111.04459	1.5
117.07011	1.7
119.08544	2.9
120.04466	5.9
121.10151	2.7
121.47609	1.3
122.06025	4.4
123.04430	1.2
124.07609	1.1
130.06401	1.2
131.08591	2.6
132.04364	1.9
134.06003	4.7
135.04395	2.5
136.07585	2.9
143.08528	1.3
145.10138	2.2
147.11710	1.5
148.03972	1.8
149.05875	1.5
150.05513	9.0
151.06273	3.3
152.07141	5.4
157.08910	1.2
157.10091	1.6
159.11725	1.8
160.25050	1.1
161.13264	1.8
162.05499	4.4
166.04965	1.2
167.07220	2.0
167.08531	1.3
169.08858	1.4
181.04910	2.5
181.06432	1.3
182.09671	3.0
183.09195	2.3
184.09897	2.7
187.08635	3.2
187.14897	1.2
198.07835	2.3
199.08737	1.4
199.12343	5.5
209.10756	1.6
210.09119	5.6
211.08636	5.9
212.09242	8.7
213.10269	4.0
225.06578	2.3
227.11789	29.3
237.10246	1.5
238.08643	1.5
239.08203	3.5
240.08894	11.0
241.09680	9.2
254.10423	1.2
255.11282	100.0
256.09497	1.6
256.11859	1.8
257.12799	2.8
258.05231	4.2
272.09033	2.6
283.10779	19.6
283.20587	2.2
284.09000	2.0
286.04797	5.4
286.33954	1.3
301.07016	12.4
301.11789	30.7
301.15179	1.5
301.21490	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	301.1069
Annotation	77744-53-7
Peak:m/z	Relative Intensity
51.02393	0.2
51.48344	0.2
53.03939	1.8
55.01866	2.7
55.05500	0.5
66.96319	0.2
67.01852	0.3
67.05499	0.6
68.99795	0.4
69.03425	0.6
69.07069	0.3
69.93558	1.2
70.06593	0.3
70.21956	0.2
77.03912	0.7
79.05486	12.1
80.05781	0.3
81.03399	0.4
81.07040	0.5
83.06075	0.2
84.08133	0.6
86.09657	0.4
89.05247	0.2
91.05465	1.9
93.07043	1.1
95.04949	4.1
95.08601	1.1
99.04394	1.2
103.05434	1.0
105.04504	0.8
105.07014	2.4
106.06516	0.3
107.04945	100.0
107.08575	0.6
108.05279	1.0
109.06495	0.4
109.10168	0.4
110.06055	0.5
111.04410	0.7
111.08073	0.3
115.05447	0.8
117.07007	0.9
119.04967	0.4
119.08563	0.6
121.06503	0.7
121.10119	0.6
122.06002	0.4
123.08053	0.6
125.02376	0.4
125.06006	0.4
129.06955	0.4
131.04906	1.4
133.06476	2.1
133.10124	0.3
134.06017	0.3
135.04401	0.5
137.05962	1.6
139.07549	0.7
141.05438	3.5
141.07001	0.3
144.05676	0.4
145.10138	0.3
147.04398	0.2
149.05919	0.4
150.03099	0.2
150.05499	0.8
151.03906	0.3
151.06308	0.4
151.07518	4.6
152.07039	0.6
153.05434	1.0
157.06476	2.4
161.05972	2.0
165.05489	0.7
167.03375	4.7
167.07047	4.2
171.11737	0.3
177.05440	1.6
179.07013	1.7
181.04994	0.2
181.06522	0.4
183.07918	0.2
185.04379	0.6
185.05957	1.5
193.04938	3.5
195.06511	37.5
196.06854	0.7
196.88908	0.3
199.14757	0.3
207.06506	38.9
208.06822	1.2
223.07640	0.3
229.08516	0.5
237.08965	0.4
240.07846	0.4
245.15584	0.3
255.10873	0.2
258.05286	0.6
265.08530	0.4
272.09039	0.4
275.47174	0.2
283.09619	66.8
284.09933	1.7
286.04724	0.8
301.07153	1.9
301.10645	26.4
301.21603	1.4
302.11002	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	301.0701
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.03930	0.3
55.01867	0.6
55.05499	0.9
57.07051	0.4
65.03931	0.4
67.05508	1.4
69.03434	0.5
69.07065	0.7
70.06574	0.7
71.52145	0.3
72.08138	0.7
79.05487	1.8
81.07056	1.7
83.08603	0.3
84.04468	0.3
84.08120	1.0
86.09687	0.6
90.19476	0.2
91.05463	1.1
93.07043	1.3
94.06579	0.3
95.04955	1.2
95.08610	2.1
97.10154	0.3
105.03379	0.5
105.07018	1.0
106.06535	0.3
107.04221	0.4
107.04951	8.1
107.08577	1.1
109.10153	0.8
110.06028	0.5
111.04437	0.6
115.82678	0.2
118.04165	0.5
118.57162	0.2
119.08577	1.1
121.02853	4.2
121.06503	0.3
121.10144	0.9
122.06003	0.6
123.00794	0.6
123.04432	0.7
123.11676	0.4
124.01575	1.9
124.07494	0.2
125.02314	0.3
129.10219	0.3
130.04869	0.2
131.08546	0.5
133.02779	0.6
133.10086	0.7
134.02661	0.3
134.03616	0.6
134.05994	0.8
135.04385	1.0
135.06743	0.3
135.11682	0.6
137.05977	0.6
141.05424	0.5
143.08521	0.5
145.10118	0.8
147.04384	0.8
147.11624	0.4
149.05962	0.4
149.13280	0.4
150.05516	1.5
150.06567	0.3
151.03888	1.6
151.06264	0.6
152.07033	0.9
153.07024	0.5
157.06491	0.3
157.10080	0.3
159.11665	0.3
161.05949	0.3
161.13239	0.5
162.05400	0.4
165.09071	0.3
167.03400	5.7
167.08527	0.3
168.05684	0.4
168.81049	0.2
169.06477	0.3
171.04399	0.3
171.11617	0.3
173.13254	0.4
179.03357	1.7
181.04941	3.3
181.06470	0.8
184.05228	0.7
185.13249	0.5
195.06516	0.9
195.08156	0.4
197.04381	1.3
197.06017	0.3
198.06749	0.5
199.07510	0.6
199.14778	0.3
207.06534	1.0
210.06699	0.2
212.04675	2.0
223.03886	0.3
226.06133	0.4
227.07022	2.0
230.05704	0.2
231.13786	0.4
241.04976	0.4
241.08650	0.6
243.06619	0.4
245.08142	0.7
255.06493	1.2
255.11273	0.4
257.04416	1.8
258.05234	13.3
259.05621	0.4
268.61856	0.3
269.08026	0.5
272.06796	1.1
272.09274	0.6
283.06308	0.4
283.09814	1.8
283.20563	0.4
284.09167	0.5
286.04733	7.8
286.07730	0.4
288.86600	0.3
301.07062	100.0
301.21579	1.9
302.07458	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	301.1069
Annotation	77744-53-7
Peak:m/z	Relative Intensity
52.19197	0.4
53.03949	2.1
55.01870	2.8
55.05506	0.9
57.39877	0.4
65.03947	0.4
66.41940	0.3
67.01859	0.6
67.05495	1.5
68.99806	0.4
69.03434	0.5
69.07056	1.1
69.48814	3.6
70.06596	0.9
70.29888	0.4
72.08141	0.4
77.03940	0.9
79.05491	12.2
81.03417	1.0
81.07046	1.6
84.08131	0.9
84.68331	0.4
85.14264	0.4
86.09724	0.5
91.05478	3.9
93.07043	1.7
95.04962	4.2
95.08601	2.5
103.05469	1.0
105.04533	0.7
105.07053	2.3
106.06587	0.5
107.04952	100.0
107.08588	1.6
108.04414	0.4
108.05235	0.6
109.06502	0.7
109.10133	0.9
110.06053	0.8
111.04433	1.0
115.05471	1.1
117.07009	0.6
119.04955	0.9
119.08577	1.1
120.05710	0.4
121.02821	0.5
121.10158	1.1
122.06037	1.1
123.04421	0.8
123.11724	0.5
125.06011	0.6
129.06976	0.6
130.94106	0.4
131.04898	1.3
132.04420	0.5
133.05258	0.4
133.06499	2.4
133.10121	1.4
134.05975	0.6
135.04411	1.1
135.08119	0.5
135.11662	0.8
137.05965	1.4
139.07504	1.0
141.05467	3.3
143.04823	0.5
144.05661	0.6
145.10129	1.0
147.11664	1.0
149.06026	0.6
149.13203	0.5
150.05467	2.1
151.06378	0.7
151.07527	4.0
152.07060	1.7
153.05478	0.8
157.06476	2.2
157.10092	0.6
159.11687	0.9
161.05988	1.9
163.14812	0.4
165.05492	1.2
165.06871	0.6
166.07614	0.4
167.03400	5.4
167.07050	4.0
167.08511	0.6
169.77037	0.5
177.05450	1.0
179.07018	1.8
181.04927	1.5
181.06473	0.9
185.04483	0.6
185.05974	0.9
185.13242	0.8
193.04948	2.8
195.06532	37.8
197.13142	0.5
199.14813	0.7
207.06523	40.1
208.06894	1.0
214.08559	0.5
227.07092	0.6
227.10579	0.5
229.08728	0.5
234.06781	0.5
255.21028	1.0
258.05228	1.4
272.09122	1.8
283.09641	65.3
284.09665	2.2
286.04648	1.6
301.07047	3.1
301.10635	29.2
301.21454	2.7
301.24564	0.6
302.11020	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	301.1069
Annotation	77744-53-7
Peak:m/z	Relative Intensity
51.02378	0.4
53.03944	2.1
55.01861	2.5
60.46875	0.3
65.03915	0.4
69.03430	0.6
69.59762	2.1
77.03926	0.3
79.05489	10.4
81.03398	0.4
91.05478	1.1
93.07051	0.3
95.04958	3.9
95.08586	0.3
99.04425	1.1
103.05461	1.1
105.04495	0.8
105.07015	1.9
107.04947	100.0
108.05246	1.3
109.06481	0.5
109.10211	0.3
111.04440	0.3
115.05453	0.8
117.06991	0.8
119.04900	0.6
121.02904	0.4
123.08022	0.4
125.02319	0.6
125.06012	0.5
131.04915	1.2
132.05641	0.4
133.06479	2.2
135.04356	0.5
137.05971	1.3
138.03064	0.4
139.07526	0.9
141.05446	3.8
144.05664	0.5
148.05211	0.4
149.05827	0.3
150.05565	0.3
151.03850	0.4
151.07536	4.5
153.05452	0.9
157.06471	2.1
161.05977	1.9
165.05482	1.1
165.11496	0.3
167.03395	5.4
167.07037	4.7
177.05478	1.2
179.07053	1.5
181.04955	11.7
184.03737	0.4
185.04492	0.4
185.05971	1.5
193.04938	4.0
195.06519	38.7
196.06793	0.4
207.06516	41.8
208.06798	0.8
223.07516	0.4
227.10707	0.5
229.08551	0.4
233.05721	0.3
237.09174	0.3
283.09631	67.5
284.09946	1.6
301.07690	1.0
301.10669	27.7
301.21683	0.6
302.11023	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	300.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05505	1.4
56.05028	1.5
58.06607	0.5
60.04536	1.1
61.65336	0.4
67.05500	0.5
68.05031	1.1
69.07068	1.0
69.83942	1.5
69.84353	0.6
70.06590	100.0
71.06927	1.1
72.08154	13.0
74.06085	1.2
74.09721	1.2
79.05493	0.7
80.05021	0.8
80.53352	0.4
81.03444	0.6
82.06592	0.7
84.04510	6.4
84.08141	7.8
85.02924	0.6
86.09702	23.0
87.10014	0.5
88.03995	0.8
91.05484	1.2
94.06556	0.9
95.04940	0.6
97.06520	0.5
98.06050	0.7
102.05567	0.8
105.03437	0.4
105.07055	0.5
106.06547	1.3
107.04984	1.2
109.02881	0.5
110.05283	0.7
110.06013	3.8
110.07156	2.0
111.04427	0.8
112.08759	0.9
113.07099	0.6
115.08677	0.7
116.07089	20.5
118.34969	0.4
119.04942	0.9
120.04477	0.6
120.06523	0.4
120.08112	1.2
121.06513	0.4
122.06023	1.2
123.04437	1.7
123.06830	0.4
128.38257	0.4
129.10245	4.6
130.05005	0.6
130.06580	1.3
130.08658	1.4
132.04462	0.6
132.10176	2.0
134.06055	1.3
135.04457	1.4
136.06201	2.2
136.07603	0.6
137.02452	0.6
137.05983	1.1
138.05518	3.6
141.10225	12.1
144.06502	0.5
147.04451	0.8
150.05508	3.9
150.09090	0.6
151.06252	1.3
151.32471	0.4
152.07068	2.1
157.07693	1.0
157.13370	6.9
159.11281	0.4
162.05519	2.0
163.03915	0.7
169.09724	13.2
175.11926	0.7
177.10248	0.5
179.07114	0.6
181.13246	0.4
183.14885	0.6
185.12862	2.0
187.10820	0.8
187.91847	0.4
190.05110	0.4
191.11867	0.5
201.12392	0.7
203.13878	2.6
209.06061	0.6
214.08577	0.5
229.15369	2.1
242.66626	0.5
243.12686	0.6
247.65662	0.5
254.11615	0.4
255.11523	0.6
264.08618	0.5
266.08228	0.5
270.21875	0.4
272.09247	2.0
272.14767	3.2
282.07358	0.5
283.07959	0.7
283.10828	1.5
284.09225	0.6
288.20358	0.6
300.09052	0.7
300.14731	2.6
300.19128	5.3
301.07071	0.7
301.08115	0.7
301.11938	4.6
301.15564	12.8
307.70377	1.5
308.20557	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	300.1592
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
51.05101	0.4
51.06023	0.3
53.03931	0.6
55.01859	0.4
55.05525	0.5
56.05039	0.5
65.03937	0.9
69.07064	0.7
70.06590	5.0
72.08167	2.0
79.05478	1.6
80.35152	0.3
84.04518	0.8
84.08141	1.6
86.09704	4.5
91.05473	7.7
93.07049	0.4
95.04964	1.1
95.08591	0.4
97.06541	0.5
103.05472	0.7
105.07047	0.6
107.04951	100.0
108.05283	1.3
115.05442	0.8
117.07005	2.0
119.04942	10.9
120.08102	0.5
121.06476	2.4
128.06190	0.4
129.10223	0.9
130.08641	1.5
131.04910	1.1
133.06496	0.9
135.04359	0.7
135.72569	0.4
136.05179	1.2
136.06134	0.5
136.07584	0.6
137.05981	3.7
143.04834	0.4
144.05713	0.6
145.06479	10.4
146.07269	0.9
147.04404	37.0
147.14742	0.4
148.03908	1.2
148.04863	0.7
150.06721	0.6
151.06421	0.4
151.07541	8.7
155.06032	0.8
158.07269	4.3
159.04393	1.6
159.08041	0.9
161.05931	1.0
163.03862	0.5
165.09108	2.8
166.05013	1.2
173.12946	0.4
174.06754	6.7
176.06854	0.4
176.08348	1.3
177.09120	1.6
189.09102	14.6
190.09601	0.4
191.08588	0.4
192.10251	1.0
207.07915	0.4
209.09641	0.6
219.08041	0.5
221.09546	0.5
225.09120	0.8
235.07565	0.6
237.09059	4.5
239.06975	0.6
251.10706	1.3
252.11426	8.6
253.08644	1.1
253.11961	0.4
268.10934	7.8
270.13446	0.4
283.13284	43.6
284.13461	1.1
300.12488	1.3
300.15909	29.9
301.11694	1.2
301.16174	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	300.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.2
51.02394	0.2
56.96566	0.3
65.03929	1.0
70.06597	1.6
70.59875	0.5
72.08153	0.5
74.48853	0.2
81.07058	0.2
84.04475	0.3
84.08138	0.6
86.09709	1.4
91.05476	14.0
107.04950	3.7
109.06469	0.2
119.04936	26.7
120.05251	0.3
120.08111	0.5
120.69980	0.2
121.06478	0.3
130.08640	0.6
136.07582	0.2
137.05963	7.7
145.06444	0.3
147.04402	100.0
148.04768	1.0
150.05452	0.2
151.07451	0.2
164.07065	0.4
189.09068	0.4
237.09099	0.2
241.08757	0.2
252.11508	0.2
256.06018	0.2
268.10840	0.2
283.13348	1.8
300.09125	0.3
300.12305	3.5
300.15869	0.9
301.11694	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	300.123
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
51.02374	0.5
51.45068	0.2
53.03950	1.7
55.01879	0.4
55.05511	1.6
58.88253	0.3
70.06583	1.0
72.08155	0.5
77.03930	0.4
78.04766	0.3
79.05479	1.1
81.03387	0.3
81.07049	0.4
82.06569	0.8
83.04990	0.4
83.08624	0.7
84.04507	0.5
84.08142	0.4
86.09692	0.5
89.03910	4.6
91.05483	8.4
93.07043	10.7
93.64898	0.3
95.04976	2.7
100.07607	0.5
100.11263	2.0
103.05469	8.9
104.05822	0.3
105.04515	0.5
107.04956	2.3
110.06033	0.7
111.04424	1.0
117.03384	7.2
119.04926	2.2
121.06502	53.6
122.06090	0.3
122.06871	0.5
128.07077	0.5
134.06026	0.3
135.04414	15.5
137.05991	0.9
138.09125	3.3
141.11494	1.0
145.02841	11.8
147.04408	9.1
148.04861	0.3
150.05533	0.5
162.05473	0.3
163.03897	100.0
164.04266	1.6
175.07057	0.3
180.06607	0.6
182.15433	1.3
186.05496	0.3
199.17993	0.6
204.66489	1.1
205.16603	0.5
209.16534	0.4
210.14857	1.4
218.66222	3.1
219.16373	0.3
255.11176	0.4
259.10828	0.7
282.19257	0.4
295.46011	0.3
300.12323	18.6
301.12103	1.1
307.86279	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	300.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27936	0.5
54.93819	0.8
55.01867	1.1
55.05507	0.6
60.04513	1.0
63.00713	0.7
65.03924	0.6
68.05022	0.7
69.03419	0.6
70.06593	7.5
71.01323	0.9
71.50781	0.9
71.94112	1.1
72.08155	5.4
73.02917	7.2
79.05475	0.6
80.05015	0.9
81.22110	0.5
82.06565	1.0
84.04496	4.2
84.08144	3.4
85.02878	0.7
86.09703	2.6
90.05551	1.9
91.05481	18.9
93.06966	0.6
94.06535	0.9
96.04466	0.6
96.75597	0.5
97.02881	0.9
101.02364	4.8
103.96687	1.3
106.64245	0.6
107.04954	2.1
108.04430	0.5
109.06518	2.0
110.06043	1.9
110.07149	1.4
111.04457	0.7
112.06220	1.5
112.96635	0.7
113.04650	1.1
116.07088	1.4
119.04948	12.2
120.04466	1.0
121.06514	3.2
122.06041	2.6
123.04420	1.1
124.03912	1.6
125.04595	1.3
129.01854	2.9
129.10233	1.4
131.03406	1.0
131.04976	0.6
132.04410	0.7
134.06015	1.5
135.04424	3.3
136.06183	8.4
136.07539	1.2
137.05972	100.0
138.05486	1.9
138.06384	0.8
138.09116	0.9
139.03958	0.8
140.05647	2.8
148.03940	1.0
150.05505	2.7
151.04932	1.1
151.06219	1.3
152.05753	1.1
152.07033	2.4
161.05925	1.3
162.05557	1.0
163.03943	0.6
164.07013	0.9
166.04979	2.2
166.08632	2.2
168.05161	9.0
168.10239	0.8
169.91739	0.7
183.11270	2.7
187.92789	4.7
189.05452	2.6
193.03168	1.9
198.00758	0.6
205.93858	1.0
217.04968	1.8
219.06548	1.3
229.93774	0.9
235.06064	0.9
239.92432	0.7
241.08682	0.7
247.06059	1.2
257.93320	0.8
258.13327	0.8
265.06989	5.8
267.14911	0.7
272.09021	0.8
282.06177	0.9
282.09882	1.2
282.13501	1.0
282.16934	0.6
283.08121	40.0
284.08939	1.2
300.10852	7.9
300.14417	0.9
300.18158	1.8
301.11697	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	299.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.7
55.05508	22.2
57.03442	2.9
57.07074	7.6
65.03929	4.5
67.05502	82.9
69.03422	3.5
69.07063	24.7
70.06577	6.9
70.61523	7.8
71.04990	96.8
79.05490	50.1
79.05921	4.3
81.07050	100.0
83.04979	5.6
83.08615	13.9
83.56338	2.3
84.04503	2.7
84.08136	9.6
85.06534	14.3
86.09700	5.8
91.05476	29.6
93.07041	70.9
95.04977	4.9
95.08602	71.3
97.06526	30.9
97.10165	6.4
99.08093	4.3
104.28811	2.4
105.07004	21.1
107.04994	3.6
107.08587	37.2
109.06510	3.5
109.10148	32.9
110.07141	2.7
111.08063	9.5
117.06964	3.1
119.08585	18.0
121.06553	4.0
121.10136	70.1
123.04446	2.8
123.11708	14.7
125.09686	2.4
129.09134	4.8
129.10228	3.4
133.06503	5.6
133.10075	14.6
135.11684	45.7
136.06212	16.9
137.05869	4.9
137.13239	3.9
139.11177	5.4
145.10098	3.9
147.04408	2.8
147.11665	7.6
149.13292	14.4
161.13232	7.4
163.03888	5.5
163.14778	11.5
167.03430	10.0
167.08505	2.2
169.10162	4.4
171.11670	3.4
175.14909	3.8
183.11708	3.0
194.68034	2.7
199.14845	2.2
199.16765	2.7
213.18437	2.5
245.22661	4.1
263.23633	19.9
271.09448	3.2
281.24808	25.1
284.06937	2.4
299.05856	5.2
299.09323	15.2
299.12973	3.2
299.16754	3.2
299.20169	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	300.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
61.38099	0.4
65.04544	0.4
67.09867	0.4
70.06593	2.4
70.95900	0.5
70.96213	0.7
71.01340	1.5
72.08150	1.7
84.04501	0.6
84.08125	1.1
86.09661	0.7
91.05468	1.2
98.03461	0.4
107.04919	0.6
109.05131	0.7
110.07188	0.8
119.03574	0.7
119.04932	0.8
122.05994	0.6
129.10236	0.6
133.05148	1.1
135.05382	0.6
136.06180	100.0
137.04527	1.0
137.05966	6.9
138.07776	0.7
148.06161	0.9
150.05486	0.7
150.07703	1.0
151.06128	2.7
152.05673	1.6
152.06879	0.5
164.05676	6.2
168.05214	0.7
168.08820	4.5
170.06548	0.5
178.07231	16.7
180.05162	0.7
190.07201	1.1
201.00322	0.5
231.22955	0.4
252.07254	3.4
254.08746	0.9
255.05913	0.7
272.09384	0.5
282.08365	0.9
283.08203	1.9
286.41031	0.5
300.09436	5.0
300.12970	2.1
300.17966	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	300.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
56.05037	0.7
57.03428	0.9
57.05799	1.8
58.06589	1.5
58.55958	0.5
60.04504	0.8
60.92953	0.6
61.02908	0.8
65.03934	1.7
67.05490	1.0
68.05012	2.1
69.03420	1.2
69.53635	4.5
70.06215	0.6
70.06589	10.9
71.01337	2.0
71.94084	1.1
72.08176	3.9
73.02909	5.2
77.73175	0.5
79.05487	1.4
80.05020	1.1
81.03408	1.2
81.07028	1.0
82.06570	2.2
83.04964	0.7
84.04507	3.1
84.08146	3.3
85.02888	2.6
86.09681	1.8
88.03980	1.9
89.02377	0.6
90.05553	1.4
91.05476	20.7
92.04989	1.6
93.07014	1.3
94.06572	1.4
95.04956	0.9
96.04469	2.2
97.02879	1.4
101.02391	4.0
103.05434	0.6
105.07074	1.2
106.06467	0.8
107.04956	6.9
108.04408	1.0
109.02887	2.8
109.06513	2.1
110.06052	3.7
110.07122	1.1
111.04453	1.9
112.06166	0.8
115.05455	1.1
116.07097	1.4
117.06979	0.8
119.04940	14.6
119.05784	0.8
120.04465	5.3
120.08099	2.8
121.06495	7.2
122.02420	1.2
122.06011	2.6
122.09608	0.7
123.04418	2.3
124.03949	3.9
127.03916	1.4
129.01823	3.0
129.10231	0.9
131.03371	0.9
131.04941	1.2
132.04442	0.9
133.06506	0.8
134.06059	1.3
135.04408	7.8
135.08168	0.7
136.05219	0.9
136.06177	6.9
136.07166	0.8
136.07637	1.1
137.05968	100.0
138.05461	5.9
138.06334	0.6
138.09152	1.0
139.02184	0.8
139.03958	0.7
139.05014	12.8
140.03415	6.2
143.04910	0.8
145.03545	0.6
145.06421	0.9
147.04399	1.5
148.03940	3.6
148.07547	2.1
149.02306	1.1
149.05983	1.8
150.05504	2.5
151.06285	4.2
152.05739	0.7
152.07080	2.0
153.05493	2.8
155.03398	2.2
157.09723	1.0
161.05981	3.5
161.97302	0.6
162.05508	1.0
164.07072	1.7
166.04984	8.2
166.08632	30.9
167.03358	1.8
168.05147	2.1
168.06441	0.6
168.10167	1.7
176.07030	0.9
177.05457	4.0
179.07005	1.2
183.11272	1.0
184.06087	0.8
185.09180	0.9
187.92735	1.2
189.05449	6.8
193.03128	0.6
193.04947	0.8
201.05576	0.9
203.99757	0.6
206.08102	3.3
207.06482	1.4
208.99040	0.7
213.12482	0.7
217.05016	2.6
235.05869	2.9
241.08289	0.6
247.06061	1.7
265.07074	9.7
271.39432	0.6
282.06607	0.9
282.09796	2.7
282.13474	2.3
282.16959	0.6
283.08096	47.1
284.08728	1.6
300.07227	1.4
300.10852	11.1
300.14606	3.2
300.17871	1.2
300.20584	1.2
301.11816	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	298.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05505	1.4
56.05032	1.2
57.03435	0.6
57.07067	2.2
58.02958	3.6
58.06603	0.5
60.04534	2.8
64.89221	0.5
67.05491	1.6
69.07082	2.3
69.90850	1.9
69.91263	0.9
70.06596	0.7
71.08623	1.4
72.04515	100.0
72.09901	0.4
73.04833	0.5
74.06078	1.0
79.05500	0.7
80.11982	0.5
81.03468	0.4
81.07049	1.7
82.83295	0.4
83.04990	0.6
83.08624	1.0
85.10197	0.7
88.07634	0.8
91.05482	1.0
93.07038	0.9
93.69454	0.4
94.37202	0.6
95.08625	2.1
97.10212	0.7
105.07023	0.6
109.10154	1.2
111.11769	0.4
119.08616	0.7
121.10139	0.6
134.25012	0.4
136.06184	5.6
168.99333	0.3
176.30411	0.4
242.24828	4.1
252.26877	0.7
263.23770	1.4
280.26364	5.1
283.27637	0.4
296.59592	0.4
297.60522	0.4
298.27676	2.2
298.30753	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	299.0914
Annotation	Lawinal
Peak:m/z	Relative Intensity
54.95449	0.3
55.01845	0.3
62.92111	0.3
67.01858	1.4
68.99796	0.4
69.77056	1.4
71.89379	0.3
79.01856	0.3
79.05505	1.6
83.04967	0.5
91.05483	0.5
95.04958	0.4
102.92326	0.3
103.05453	1.2
105.07030	17.6
106.07327	0.3
107.04948	0.3
111.04423	0.9
115.05470	0.5
121.02893	0.4
131.04900	0.7
133.06487	44.2
134.06798	0.9
151.85944	0.3
159.04456	0.4
167.03397	100.0
168.03777	1.6
177.05461	0.4
204.37666	0.3
205.05020	1.9
223.06075	0.4
223.45833	0.3
281.08054	2.3
281.26666	0.5
299.09140	13.3
300.09546	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	298.1437
Annotation	Anibacanine
Peak:m/z	Relative Intensity
61.01142	1.5
63.85582	1.0
69.07068	1.3
70.68839	0.8
71.51276	1.4
75.02705	1.1
79.05489	6.5
81.07047	1.7
84.08179	1.0
89.03923	5.0
91.05479	3.3
93.07051	1.2
95.04993	1.1
95.08581	1.4
100.78716	0.9
103.05457	3.5
105.07030	46.7
107.04955	1.4
117.03378	22.1
119.04972	0.9
120.08137	1.0
134.03644	1.6
135.04433	1.8
136.05241	2.1
136.06175	40.8
137.05945	1.5
145.02840	58.0
149.05995	6.7
151.07475	1.1
163.03995	1.7
177.05466	100.0
186.05487	2.3
205.04996	2.4
223.06085	1.2
223.10460	0.8
274.97345	1.0
298.09915	2.2
298.14386	42.4
299.09201	3.5
299.14536	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	298.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	2.9
56.96555	0.7
60.04496	1.0
61.01161	4.0
61.01411	0.9
67.05507	0.8
69.07063	1.2
70.06583	10.2
70.50741	0.7
71.53918	0.9
71.54308	0.7
72.08158	6.7
74.06062	1.2
75.02696	2.3
81.07044	1.2
82.06599	0.7
83.06084	0.6
84.04488	3.0
84.08136	8.1
86.09700	5.3
91.05448	1.7
95.58037	0.9
97.02908	1.7
103.05451	1.6
105.07012	0.9
107.04961	1.0
110.07188	3.7
116.07138	0.9
119.04951	1.3
120.08093	2.0
123.04422	1.4
128.98769	0.7
129.10231	3.1
131.04941	3.3
131.08549	1.7
134.05978	1.0
136.06183	71.9
136.07460	2.1
137.05876	1.3
145.03152	0.9
145.06520	1.0
147.04405	2.1
149.05974	1.6
153.06900	0.7
158.09639	1.0
159.04405	2.3
159.08034	2.7
161.05919	1.2
162.05525	7.4
163.04031	1.2
164.06963	0.8
166.09769	1.1
175.06297	12.0
175.07704	1.0
176.06981	1.1
176.10577	1.2
177.07840	1.7
177.09143	1.7
178.03136	0.8
186.09047	1.2
187.07536	2.1
189.07831	6.4
193.10826	2.8
196.04184	1.1
201.12386	0.8
204.10197	100.0
205.10553	2.1
206.11758	8.8
213.45271	0.8
226.08348	0.8
227.11870	1.7
236.12793	1.7
239.11481	4.2
248.12823	17.8
255.11272	1.6
256.06213	0.8
266.13928	9.7
271.14420	18.0
280.15463	2.3
281.12708	1.0
298.06885	1.0
298.10034	3.1
298.16193	8.8
299.06021	1.3
299.10236	2.8
299.13892	9.0
300.06192	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	298.1144
Annotation	Nelarabine
Peak:m/z	Relative Intensity
55.01857	0.4
56.05036	0.6
57.03424	0.5
58.06577	0.4
59.04992	0.8
61.01149	5.1
69.03426	0.8
69.07051	0.4
70.06593	2.2
70.15471	0.6
70.15854	1.6
72.08144	1.4
72.08516	0.4
73.02917	0.6
74.06084	0.5
75.02696	2.5
81.04550	0.5
83.06074	0.4
84.04492	1.1
84.08146	2.3
85.02877	0.6
86.09694	1.3
94.04029	0.3
94.06543	0.5
97.02854	1.9
101.06001	0.6
103.02156	0.5
109.05115	1.2
110.03494	0.5
110.07156	2.9
111.04440	0.4
119.03558	0.7
119.04827	0.4
119.07071	0.5
120.08093	1.3
121.20906	0.5
123.04375	0.6
126.05352	0.6
128.04620	0.7
129.10251	1.4
130.05045	0.4
133.07631	0.5
134.06020	0.4
135.02994	0.5
135.05507	0.3
136.06178	100.0
137.04607	0.8
137.06622	0.7
139.03868	0.8
145.03171	1.1
147.04425	0.4
148.08693	1.2
149.04582	3.4
150.07733	0.4
151.06042	0.5
152.05675	9.5
153.04082	3.3
157.80498	0.4
162.05440	0.4
163.04205	1.2
165.08908	0.5
166.07240	98.5
167.04243	0.5
167.05653	9.4
167.07629	1.0
177.06563	0.4
178.07268	2.0
178.09737	0.8
193.10866	3.8
194.09204	0.6
204.10141	1.0
208.60393	0.4
210.20212	0.4
215.08913	0.3
220.13387	0.7
232.94989	0.3
239.11389	4.7
266.08932	0.5
268.00119	0.5
280.15268	0.4
298.09442	2.0
298.11331	2.1
298.16235	0.7
298.18958	0.7
298.22012	1.1
299.06424	0.6
299.10202	0.6
300.06149	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	297.2422
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03933	6.4
55.01859	7.1
55.05510	67.2
57.03444	6.5
57.07062	15.0
59.05000	3.8
62.06071	2.6
67.05502	81.0
69.03430	7.9
69.07069	66.5
70.62950	8.5
71.04994	3.7
71.08626	17.3
78.13661	3.3
79.05488	42.0
80.35741	2.8
81.07052	100.0
83.04980	7.9
83.08616	47.4
85.02894	3.6
85.06535	9.0
85.10207	3.0
91.05486	12.8
93.07047	40.3
95.08604	74.9
97.06527	10.0
97.10162	53.9
99.08073	4.2
105.07025	9.4
107.08596	40.9
109.10149	49.2
111.08104	6.6
117.06994	4.0
119.08589	9.4
121.06466	3.9
121.10120	19.8
123.11722	19.8
125.09628	32.4
131.08595	7.9
133.10132	8.7
135.08102	5.1
135.11671	27.0
136.06198	17.9
137.13268	12.6
145.10133	4.6
147.04404	2.7
147.11678	7.3
149.13228	7.8
150.87639	2.8
151.14806	4.2
153.12718	7.2
159.11664	5.2
161.13292	6.6
162.36562	2.8
163.11078	2.9
163.14786	7.0
165.12744	3.9
173.11798	5.5
173.13239	5.7
183.13821	26.9
187.14799	4.8
189.11191	13.7
206.77748	2.9
233.22539	5.5
243.21078	7.5
251.23668	5.3
261.22089	21.4
279.23181	61.7
280.23483	3.4
283.99289	2.7
297.18393	2.5
297.24115	9.6
302.24759	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.00846	0.3
61.01147	5.1
66.54171	0.2
69.03433	0.2
71.24985	0.2
71.25313	0.3
72.26669	0.2
75.02704	2.2
78.56495	0.2
94.04022	0.4
97.02889	1.0
103.02164	0.6
119.03534	0.8
136.06177	100.0
137.04576	0.5
137.06624	1.0
145.03168	1.3
149.53787	0.2
151.46068	0.2
163.04251	1.1
193.96191	0.2
206.77676	0.2
210.08990	0.2
238.07742	0.2
291.52118	0.2
298.09662	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	298.1073
Annotation	Turcomanine
Peak:m/z	Relative Intensity
52.68135	0.3
58.86462	0.3
61.01137	1.1
62.45642	0.3
70.06597	2.4
70.49195	0.7
70.49561	0.7
75.02696	0.7
80.05023	0.4
84.04488	0.6
84.08154	0.8
86.09705	0.9
89.03876	0.4
91.05426	0.5
94.06534	0.3
95.04923	0.4
101.00670	0.3
102.04662	0.3
103.05455	1.1
107.04946	1.7
119.04918	0.4
120.08115	0.4
123.04417	11.6
129.10242	0.6
130.06526	1.5
130.08617	0.5
131.04916	0.7
132.08102	0.5
134.06001	1.4
135.04420	3.4
136.06174	16.9
138.05499	2.3
141.10161	0.5
146.05965	1.0
147.04388	4.9
148.05058	0.5
149.04631	0.5
149.05946	0.7
150.05533	1.0
158.06000	2.2
160.07579	0.6
162.05521	4.3
163.04195	0.5
163.06273	11.5
164.07030	1.2
165.07004	1.3
169.09689	0.5
170.05983	1.0
172.07588	0.4
174.05522	0.8
175.06270	0.9
176.07072	5.5
188.07072	3.4
189.07846	21.5
190.08478	0.6
191.07256	0.7
193.06541	0.9
193.10925	0.4
204.10220	1.0
205.08942	0.7
206.09709	3.9
208.07777	0.3
209.08513	0.4
211.07471	1.9
212.07050	0.3
213.07916	0.5
219.06870	0.5
220.07501	0.4
221.05956	1.3
224.10655	0.5
226.08646	0.5
227.11797	0.3
233.08382	0.4
234.09149	7.1
235.09818	0.5
236.07019	1.5
237.07864	1.2
239.06973	1.6
239.11354	0.9
248.07056	0.6
250.08543	0.7
251.09360	0.6
252.10185	8.0
257.08087	0.6
262.08578	2.3
263.09436	0.8
264.06552	1.4
265.07291	1.1
266.08127	1.1
267.06305	0.4
267.99966	0.4
270.11279	0.4
273.52515	0.4
278.08286	0.4
280.09689	7.0
281.07007	0.3
281.10324	1.0
282.07590	3.6
283.08374	12.4
284.08728	0.4
296.08994	0.4
298.10718	100.0
299.06195	0.4
299.11011	3.3
300.06339	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	297.1266
Annotation	H-Phe-Met-OH
Peak:m/z	Relative Intensity
55.01846	0.2
55.05496	0.3
56.04773	0.2
56.05033	1.7
56.35799	0.2
60.04525	1.0
60.05642	0.2
61.01146	1.6
67.05494	0.2
69.07061	0.6
70.06586	2.2
71.06928	0.2
71.51594	0.2
72.08154	1.0
79.05500	0.3
81.07032	0.3
83.06095	0.3
84.04501	1.2
84.08135	2.0
86.09698	2.8
87.02672	0.2
88.03996	0.3
89.00092	0.2
89.94349	0.2
90.27632	0.2
91.05441	1.5
93.07041	2.0
95.04974	0.4
95.06070	0.2
101.91470	0.2
102.05537	0.4
103.05464	6.9
104.05322	2.5
105.04524	0.2
107.04969	0.3
110.07167	2.7
120.08099	100.0
121.06563	0.2
121.08443	2.0
129.10211	1.6
130.05003	0.6
133.03186	1.8
136.06181	7.5
136.07437	0.3
137.05977	0.3
147.04410	0.4
150.05829	6.6
151.06056	0.2
151.07468	0.2
153.17430	0.2
156.07736	0.2
158.09680	0.5
162.09163	0.3
181.10756	0.2
203.11786	1.6
207.11279	0.2
209.10399	0.4
210.02209	0.3
217.80914	0.2
249.09924	0.2
249.12416	0.6
251.12163	0.9
266.99802	0.3
279.10526	0.3
283.02985	0.3
287.11655	0.2
297.12546	2.1
297.18350	0.2
299.06119	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	297.1265
Annotation	Met Phe
Peak:m/z	Relative Intensity
55.05487	0.8
56.05033	68.5
57.03421	0.6
57.05347	0.5
61.01147	47.9
67.05505	0.7
69.07047	0.7
69.80169	3.3
70.06597	4.3
71.31693	0.5
72.08157	2.4
74.06087	3.8
79.05492	0.9
81.07068	0.9
83.85439	0.5
84.04501	2.3
84.08142	4.0
86.09699	5.4
91.05445	4.0
93.07049	1.0
93.13855	0.6
95.04959	0.8
95.08615	0.8
97.06512	0.6
99.86071	0.6
103.05441	1.5
104.05325	100.0
105.05652	0.8
105.07018	1.4
107.04939	1.1
108.28308	0.5
110.07173	1.5
117.07014	0.6
119.04916	1.2
119.08591	0.7
120.08103	26.9
121.08459	0.5
121.10146	0.7
123.04432	0.7
129.10220	2.2
130.06543	0.8
131.04913	0.9
136.06151	3.9
136.07597	1.3
137.05981	0.7
137.42657	0.5
147.04408	3.0
148.04865	0.6
149.05893	0.9
156.07603	0.6
158.09529	0.8
161.09573	0.6
162.09927	0.6
166.08633	13.8
167.07036	0.8
175.08676	0.7
189.09045	1.7
190.09456	4.1
197.79216	0.6
203.11830	1.1
206.09904	1.3
221.13522	0.9
223.07043	1.1
224.03673	0.5
232.09642	2.0
249.12363	5.3
251.12093	2.0
266.14600	2.2
266.99698	0.6
280.09924	1.2
297.08731	1.8
297.12463	4.5
297.18594	1.2
299.05954	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	296.2583
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
53.03921	1.9
55.01862	1.3
55.05510	14.2
56.05016	3.3
57.03437	2.0
57.07071	10.0
58.02960	7.3
58.06562	0.8
60.04521	34.7
65.03934	1.5
67.05502	35.2
69.07065	17.6
69.55293	6.1
70.02941	1.5
70.06572	1.1
71.04987	12.3
71.08617	4.9
72.04514	35.1
75.17219	0.8
79.05486	26.1
80.04982	2.1
81.03412	2.0
81.07050	32.6
82.06566	1.9
83.04965	3.0
83.08617	9.7
84.04497	1.0
85.06509	1.6
85.10169	3.4
91.05473	13.4
93.07040	25.9
94.06551	2.0
95.04960	2.9
95.08598	27.0
96.04555	1.1
96.08103	1.3
97.02873	2.0
97.06517	7.2
97.10165	5.6
98.20782	1.9
99.04441	5.0
104.11544	0.8
105.07029	7.2
107.04942	1.1
107.08581	15.2
109.06505	1.7
109.10143	12.5
110.09674	1.2
111.08071	6.4
111.11738	1.3
113.09593	1.0
117.07008	4.8
119.08571	7.5
120.08074	1.9
121.09338	1.5
121.10144	22.4
123.08048	1.6
123.11697	6.8
124.07577	1.0
126.09200	1.0
131.08562	9.2
133.10184	4.0
134.09627	1.7
135.08055	3.2
135.11679	12.1
137.13249	4.8
145.10089	4.4
147.11670	2.1
149.09625	3.3
149.13242	4.3
159.11652	2.6
161.13231	1.7
163.11082	1.1
163.14815	2.1
173.13235	1.5
173.46590	0.8
173.80901	0.8
177.16382	1.2
182.19073	1.5
187.98593	0.9
217.19533	1.1
219.21062	4.4
233.22717	2.2
233.73460	1.1
234.22430	1.3
235.20547	1.8
237.22104	12.0
243.21106	6.5
250.25256	5.5
260.23663	6.3
261.22092	6.1
266.24725	1.6
278.21866	2.9
278.24738	24.5
279.23203	3.0
296.25833	100.0
297.26294	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	297.0756
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.25851	0.5
54.89266	0.5
55.05519	0.6
56.56924	0.5
61.35043	0.4
64.42415	0.5
67.01856	0.6
67.05495	0.7
68.99820	0.5
69.07050	1.2
69.25935	5.4
70.06578	1.0
79.05499	0.6
81.07051	1.8
91.05462	1.3
93.07039	1.0
95.04971	3.1
95.08596	1.8
97.10143	0.7
98.21462	1.1
103.05473	3.4
105.03399	0.7
107.04922	0.5
107.08603	1.0
108.50600	0.5
115.05468	0.6
119.08581	0.6
121.10152	1.0
123.04413	2.5
123.11697	0.5
125.02376	0.6
131.04922	87.7
132.05260	0.6
136.06160	1.8
145.10100	0.8
149.07843	1.3
151.03918	3.6
151.04974	0.5
153.07004	1.1
167.03392	5.8
167.08516	0.6
170.07248	0.7
171.04451	3.4
179.03395	3.9
181.06502	2.9
182.07217	0.8
197.04430	2.9
197.06030	1.0
198.06703	0.9
199.03917	3.8
207.02913	1.1
208.05185	0.7
209.06004	1.9
210.06703	1.1
211.07504	0.8
212.04636	0.9
213.09117	3.9
221.05949	0.6
226.06238	2.6
227.06949	2.7
236.04712	1.9
237.05449	3.9
241.08624	1.8
251.06984	4.3
253.08716	0.6
254.05736	3.1
261.16934	0.6
264.04230	0.6
265.04944	0.8
269.08063	17.2
279.06503	1.6
280.07236	1.2
282.05185	1.2
297.07550	100.0
298.07849	2.7
299.06085	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	296.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10897	0.3
55.01056	0.3
69.75938	2.0
70.04202	0.3
84.08120	0.4
91.05463	1.4
92.23267	0.3
98.21470	0.5
99.44077	0.4
119.04951	1.8
147.04410	7.9
162.75574	0.3
165.06915	0.5
178.07799	1.0
179.08534	4.2
180.08990	0.4
186.67674	0.4
189.06912	1.6
190.07813	2.0
191.08543	5.7
192.09369	0.5
193.06554	0.6
193.10175	0.8
194.07376	0.4
202.07745	1.4
203.08546	4.3
204.09337	1.3
205.06505	1.2
205.10107	3.0
206.07211	0.9
207.06282	0.6
207.08057	7.8
208.08900	0.5
215.08627	0.4
217.06493	2.3
218.07263	5.6
219.08047	10.2
220.08777	1.1
221.06041	3.7
221.09575	5.2
222.06810	0.6
222.10344	2.6
223.07365	0.8
231.07921	0.6
232.08844	0.4
233.09616	5.5
234.10385	33.5
235.07526	34.2
235.11166	1.4
236.08263	6.3
237.09158	1.4
238.09906	0.9
249.09123	3.3
250.09882	47.7
251.10301	0.8
253.12274	0.7
265.12228	100.0
266.12509	1.7
296.16434	25.3
297.16922	0.7
309.86627	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	296.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01851	1.8
57.03433	5.0
58.06601	1.6
59.04990	1.4
59.59037	0.7
61.02927	4.1
61.25502	0.8
62.21029	0.7
67.05485	1.8
68.17194	0.7
69.03429	1.2
69.07067	36.5
70.06570	1.9
70.20325	1.2
70.20733	2.5
71.04975	2.7
73.43310	0.8
79.05074	1.4
79.05489	14.3
81.07049	3.1
84.08128	2.4
85.06525	1.6
86.09696	3.0
91.05482	21.2
93.07063	1.0
95.04936	1.6
97.06525	54.7
107.04931	2.3
109.06506	1.8
111.08060	2.4
117.07101	0.9
119.04940	13.4
120.08069	2.3
121.06480	2.0
121.10159	1.0
129.09128	15.5
129.10158	2.2
133.06454	3.2
135.04428	4.8
137.05974	100.0
138.06270	1.7
147.04422	10.6
148.05214	4.8
149.05951	1.7
149.09570	1.0
159.08020	1.0
160.39326	0.8
163.07483	1.0
177.09097	22.6
180.13826	0.9
187.11159	0.9
189.09077	18.5
191.10713	0.9
203.10719	3.7
215.10684	4.2
220.13335	8.6
233.11725	18.4
233.13860	1.6
235.13284	11.5
245.76143	0.8
247.13371	4.0
264.15894	4.6
265.14343	66.1
266.14703	1.1
276.64148	0.8
278.17511	28.3
279.17865	1.0
296.15308	1.4
296.18497	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	296.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.9
53.03956	0.9
55.01862	2.7
55.05504	1.7
57.03436	9.6
58.06605	1.5
59.05005	0.8
61.02917	1.9
67.05488	2.0
69.03450	2.2
69.07066	37.9
70.06584	2.1
71.04977	1.0
71.53573	1.3
72.08165	1.3
79.05074	1.1
79.05499	14.4
81.07036	3.7
84.04516	1.3
84.08133	2.0
85.06501	1.6
86.09707	4.2
91.05485	22.4
93.07013	1.0
95.04942	2.8
97.06526	74.0
98.06873	1.1
101.94959	0.9
105.07079	2.0
107.04943	2.5
109.06503	1.5
109.54018	1.0
111.08075	4.2
112.08880	1.1
119.04939	12.7
119.08599	1.8
120.08087	1.0
121.06486	3.7
123.04412	4.3
129.06998	1.9
129.09108	12.7
133.06487	2.5
135.04413	20.8
135.08032	1.1
137.05975	100.0
138.06314	1.9
145.06454	1.4
147.04401	13.0
147.08052	3.4
148.05194	14.1
149.05940	3.5
157.10155	1.3
159.08015	1.0
161.05942	1.8
161.09637	1.4
165.05507	2.1
174.06831	1.9
175.07553	2.1
177.09108	80.0
178.09425	1.6
185.09624	1.9
187.11031	1.0
189.09114	17.5
203.10667	35.1
204.11032	1.4
207.10233	1.6
215.10648	4.5
220.13338	7.6
233.11731	17.0
235.13283	65.3
236.13654	1.6
247.13351	6.3
264.15967	9.6
265.08466	1.4
265.14337	31.4
269.07742	1.1
271.85324	0.9
278.17502	23.6
296.09698	1.0
296.18530	5.0
297.07626	0.9
297.16959	1.0
300.10974	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	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
50.21929	5.3
53.03935	16.0
55.01870	9.2
55.05509	41.8
57.07068	22.4
67.05505	45.9
69.07050	25.8
71.18396	18.4
79.05486	34.4
79.27322	6.2
81.03411	31.5
81.07068	41.9
83.04966	17.1
83.08611	14.3
85.06531	7.3
85.10170	65.8
91.05466	37.7
92.84213	5.6
93.07047	32.6
95.04962	22.4
95.08596	32.8
97.10167	10.2
105.07024	23.6
107.04966	16.6
107.08604	17.1
109.10188	8.8
113.09637	100.0
119.08543	15.0
121.10121	12.2
121.74399	7.9
123.08043	9.1
131.08549	13.9
133.10089	8.5
135.11711	7.9
143.08563	7.8
147.11639	14.5
149.09567	13.3
149.13173	6.3
163.11168	6.8
165.12733	49.3
165.96606	6.1
175.03738	6.9
175.11240	6.7
181.12215	9.9
181.67339	6.8
187.79362	6.9
196.53023	6.5
239.14192	7.2
255.13130	7.7
259.20535	10.6
277.21603	68.4
295.22821	88.3
318.93707	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	295.263
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
55.05498	63.4
56.13369	16.2
57.07067	34.7
60.30380	12.8
67.05494	60.0
69.07068	77.3
71.52040	22.7
76.67175	16.4
77.77395	15.4
79.05498	15.9
81.07070	79.1
83.08646	38.3
83.35970	16.6
91.05481	29.1
93.07024	30.6
95.08610	100.0
97.06517	21.6
97.10149	40.2
105.06983	33.4
107.08561	39.9
109.10146	33.7
111.11698	15.0
119.08604	24.1
121.10139	28.1
123.11755	20.9
133.10085	22.0
135.11649	26.8
137.34186	15.4
139.24237	13.0
147.11678	38.5
149.13254	24.1
163.11252	15.0
163.14799	15.1
167.14413	16.0
172.68349	15.3
186.99023	15.7
196.64063	14.4
197.76492	15.7
209.53180	15.7
220.19243	18.0
221.22664	20.9
241.76981	15.2
245.22630	64.9
263.23642	58.4
265.12283	26.1
266.75012	19.1
295.09711	64.4
295.13733	22.6
295.26154	18.2
296.12845	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03938	12.8
54.72661	7.0
55.01871	19.6
55.05512	62.1
57.07074	11.5
67.05503	65.3
69.07064	38.6
71.61549	8.2
79.05490	45.4
81.03427	29.7
81.07048	100.0
83.04977	19.4
83.08613	58.8
85.06541	8.9
85.10187	8.9
91.05493	51.2
92.05829	6.3
93.07038	81.4
95.04973	25.5
95.08595	62.9
97.02877	6.9
97.06536	19.3
97.10146	11.2
99.08085	8.3
105.07026	43.1
106.41943	7.3
107.05001	6.4
107.08601	32.8
109.06513	18.1
109.10149	22.4
111.08089	14.9
113.09622	10.6
118.07140	5.8
119.08578	29.4
121.10160	30.1
123.08097	12.3
123.11724	22.2
129.07007	9.4
131.08601	9.0
133.10147	31.0
135.11691	15.9
135.79428	5.8
137.09549	7.3
147.04369	7.9
147.11658	26.6
149.09575	8.9
149.13248	21.0
151.11200	15.5
161.13208	11.4
165.12741	22.3
167.14368	6.9
175.03906	9.0
175.11223	7.7
193.12137	7.1
231.21060	9.0
241.19621	10.6
259.20752	11.7
277.21661	99.9
295.16687	6.9
295.22821	42.7
308.82022	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.28014	2.0
53.03935	7.1
53.31915	2.3
54.12096	2.2
55.01872	43.0
55.05508	54.5
56.86285	2.5
57.03423	6.7
57.07072	12.3
59.32996	2.3
65.03931	3.9
67.05501	78.2
69.03419	21.5
69.07067	40.3
69.59558	2.2
70.06583	4.8
71.04984	9.6
71.08617	29.4
71.51744	2.4
76.91202	2.6
79.05486	55.4
81.03423	16.5
81.07048	73.7
81.07539	3.9
83.04974	26.8
83.08620	32.3
84.08134	3.8
85.02893	9.7
85.06539	7.2
85.10186	10.5
86.09715	3.3
91.05476	44.2
93.07039	72.8
95.04967	21.9
95.08601	52.4
97.06522	23.3
97.10163	17.3
99.08088	25.7
105.07024	41.2
107.04960	6.3
107.08579	35.4
109.06512	9.4
109.10146	29.3
111.04417	6.1
111.08073	42.6
113.09637	12.9
117.07014	7.9
119.08569	19.1
121.10149	41.0
121.49110	2.2
123.08070	12.1
123.11684	12.3
125.09628	10.0
129.05499	2.8
129.07037	5.3
131.08574	10.6
133.10126	21.2
135.08026	5.7
135.11719	16.8
135.18143	2.3
137.09619	8.9
137.13206	3.8
139.11189	8.0
143.08536	4.2
145.10118	8.8
147.11668	22.4
149.09605	16.0
149.13228	15.4
151.11182	26.5
153.09021	2.9
153.12706	4.8
157.10150	5.5
159.11664	4.8
161.09654	2.6
161.13237	15.4
163.11194	11.0
163.14789	4.0
165.12733	24.2
167.14233	2.5
171.11638	3.9
173.13228	5.0
175.03943	4.7
175.11160	3.1
175.14828	5.8
177.12744	2.8
179.14308	10.2
181.12212	2.4
185.13326	4.5
189.11201	5.2
189.12793	3.2
195.13885	3.9
199.14682	3.3
217.19534	3.2
231.21101	3.6
241.19647	5.4
249.22110	7.6
259.20529	14.6
277.21609	100.0
295.15677	3.3
295.22717	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	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
55.01856	7.1
55.05504	19.4
67.05502	53.0
69.07063	19.0
69.27437	29.9
71.08630	41.5
79.05482	48.7
81.03404	10.2
81.07054	59.2
83.04950	14.4
83.08601	14.4
85.06525	4.3
91.05476	26.0
93.07039	64.6
95.04956	8.3
95.08616	33.9
97.06513	12.4
97.10160	10.7
99.08093	37.9
105.07020	18.3
107.08600	28.7
109.06523	4.1
109.10145	16.3
117.07002	5.5
119.08561	12.8
121.10146	31.7
125.09644	6.6
127.03243	3.5
133.10109	12.2
135.11691	39.5
137.09549	4.1
145.10091	3.9
147.11723	4.3
148.67242	3.6
149.13281	9.5
151.11163	17.9
159.11665	4.6
161.13211	11.7
163.11223	6.3
163.14748	5.1
179.14297	100.0
199.14723	4.3
217.39944	3.9
259.20520	6.8
277.21603	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	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.36913	2.2
53.03941	28.8
55.01855	9.6
55.05506	30.1
57.03399	2.7
57.07056	10.0
65.03922	3.4
67.05501	81.4
69.07067	55.9
69.53440	2.2
71.04965	6.5
71.08636	6.9
79.05080	4.3
79.05492	53.9
81.02933	5.1
81.03413	100.0
81.06604	5.4
81.07052	75.8
83.04971	22.4
83.08626	12.4
85.06538	3.8
85.10172	6.5
91.05467	28.9
93.07039	54.4
95.04385	3.3
95.04965	53.0
95.08600	36.7
97.06516	7.3
97.10157	11.9
99.08100	4.8
102.92820	2.5
105.07016	29.7
107.08589	32.3
109.06516	11.4
109.10139	20.1
111.08064	3.7
113.09618	3.0
117.06953	3.9
119.08562	16.5
121.10138	13.9
123.08022	3.5
123.11687	8.5
125.09624	9.7
129.06976	3.7
131.08557	6.3
133.10141	25.2
135.08040	4.0
135.11682	9.9
143.08575	3.9
145.10094	3.5
147.11722	13.3
149.13232	8.7
151.09988	4.6
151.11166	62.8
152.73459	2.4
153.09073	8.6
161.13246	15.8
163.14713	3.0
165.12759	16.2
171.10161	3.6
171.11684	8.0
173.13252	2.6
175.11172	3.3
175.14749	5.2
177.12727	3.1
179.14238	8.0
189.12756	5.3
193.12231	5.1
199.14702	3.8
207.13733	6.2
217.19437	3.5
224.67342	2.9
231.21091	14.2
241.19450	7.1
249.22131	9.5
259.20621	11.2
271.23380	2.7
277.21613	99.5
278.21811	3.0
295.22574	6.4
304.52103	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.21624	2.6
53.03938	4.2
55.01873	69.2
55.05509	45.2
57.03421	3.8
57.07065	13.1
58.93727	2.9
62.10139	2.4
64.38755	2.9
65.03935	4.3
67.05502	53.7
69.03419	2.9
69.07063	22.0
71.04968	5.9
71.08627	19.9
71.09969	6.9
79.05489	27.5
81.03410	12.2
81.07055	52.1
83.04980	18.3
83.08624	24.3
85.10173	18.2
91.05468	23.5
93.07037	27.7
95.04935	16.1
95.08607	38.5
97.06527	23.1
97.10137	6.0
99.08096	18.8
105.07025	20.3
107.04917	5.7
107.08597	21.4
109.06506	6.8
109.10155	17.6
111.08080	66.2
113.09628	13.2
115.75464	3.1
119.08577	15.4
121.10162	16.8
123.08015	5.3
123.11674	6.3
125.09590	6.9
129.06960	3.1
131.08513	5.1
133.10124	28.7
135.11662	13.3
139.11186	6.6
145.10129	6.1
147.11697	18.2
149.09608	10.1
149.13251	8.1
151.11136	16.1
153.12677	3.9
157.10120	5.1
161.13240	8.4
163.11159	8.1
163.14868	4.0
165.12749	31.3
175.11224	5.8
175.14774	5.1
179.14281	9.0
221.15439	3.7
224.23506	3.0
231.21007	4.9
238.00360	2.8
241.19530	6.5
249.22115	10.3
259.20569	8.9
277.21609	100.0
295.22635	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03952	7.2
55.01873	28.7
55.05509	100.0
57.03431	7.2
57.07060	15.0
57.23798	4.2
65.71122	4.0
67.05501	74.8
69.03424	8.0
69.07061	58.1
70.57650	4.0
70.76407	12.6
71.04996	9.6
71.08611	14.5
76.11570	4.1
79.05486	54.4
81.03412	19.4
81.07050	92.8
82.20525	4.1
83.04980	20.2
83.08623	50.7
85.06525	9.3
85.10176	6.0
91.05031	4.4
91.05486	37.2
93.07055	65.7
95.04969	21.2
95.08598	67.6
97.06526	24.1
97.10178	21.5
99.08097	8.9
105.07034	36.1
107.08601	27.9
109.06509	8.1
109.10158	41.9
111.08116	10.3
113.09635	6.8
115.95211	4.8
117.07048	6.5
119.08569	37.1
121.06529	6.6
121.10136	32.2
123.08085	31.3
123.11699	5.8
125.09616	13.5
129.07013	6.8
131.08560	11.5
133.10112	26.1
135.08017	6.6
135.11687	18.4
137.09619	26.3
139.11182	25.2
143.08606	7.4
145.10118	19.2
147.11699	13.1
149.13206	7.3
151.11179	18.3
155.08604	7.6
157.10133	10.3
159.11717	8.9
161.13329	8.5
163.11125	8.3
165.12769	10.5
169.10031	4.8
171.11710	12.3
173.13322	21.6
175.03841	6.1
175.11334	4.7
175.14821	5.8
177.12816	4.8
179.14436	7.4
181.12296	4.8
185.13237	6.4
196.12460	6.0
197.13197	6.2
199.14742	8.3
206.80243	4.5
211.14827	6.1
213.14864	14.4
221.15178	4.5
225.76370	4.3
249.22086	15.5
259.20590	7.9
277.21677	63.6
295.06128	5.4
295.09576	4.8
295.22879	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
52.93806	3.7
53.03942	6.3
55.01869	53.0
55.05507	73.8
57.03407	6.3
57.07052	12.6
58.67007	4.2
60.04521	4.7
67.05498	93.2
69.03416	5.3
69.07053	44.0
71.04964	8.9
71.08614	14.6
79.05486	67.2
81.03396	18.0
81.06596	6.9
81.07050	98.2
83.04976	20.1
83.08610	42.4
85.06546	7.1
85.10165	12.5
91.05482	53.3
93.06500	5.0
93.07045	81.5
95.04958	23.9
95.08604	57.0
97.06508	19.2
97.10141	16.7
99.08069	16.8
103.05469	4.2
105.07021	32.4
107.04966	7.7
107.08588	37.7
109.06481	14.9
109.10138	27.8
111.08070	56.5
113.09631	8.7
117.07001	8.0
119.08583	22.2
121.10141	25.4
123.08061	9.1
123.11687	8.2
125.09596	13.9
129.07016	8.0
131.08563	11.6
133.06454	9.3
133.10129	32.2
135.11711	23.9
137.09584	4.0
139.11185	10.6
139.38126	4.7
145.10078	7.8
147.11687	18.9
149.09637	9.2
149.13277	19.1
151.11154	19.1
153.12698	6.8
157.10107	7.0
159.11653	8.5
161.13228	11.2
163.11154	8.3
163.73805	4.0
165.12762	26.3
173.13274	4.9
175.14761	5.2
177.12741	8.2
179.14285	6.4
185.13240	4.1
189.11224	6.9
193.12222	7.5
195.13782	9.7
224.31422	4.0
229.48074	4.8
231.21062	6.2
249.22227	8.4
259.20566	18.2
277.21637	100.0
279.03470	4.1
295.22687	95.5
296.22821	4.1
296.25766	17.0
312.44803	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	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03918	5.9
55.01857	14.6
55.05281	5.0
55.05511	59.2
57.07076	10.1
60.04506	7.4
65.03941	4.0
67.05505	100.0
69.03416	4.6
69.07069	47.1
70.85432	4.4
71.05000	5.0
71.08610	10.3
71.25127	8.3
72.53217	3.7
79.05488	49.3
81.03401	14.0
81.07053	74.7
83.04997	19.9
83.08619	25.0
85.02911	7.2
85.06525	10.1
91.05465	29.7
93.07040	60.2
95.04960	21.6
95.08607	51.3
96.70539	3.6
97.06505	14.3
97.10181	21.7
99.08041	10.0
100.11646	4.0
105.07034	32.7
107.04958	4.3
107.08591	35.8
109.06539	6.6
109.10166	28.8
111.08057	8.5
119.08588	22.6
119.84304	3.8
121.06447	3.9
121.10138	28.0
121.41507	4.1
123.08038	6.7
123.11723	11.0
125.09621	13.0
129.07101	4.7
131.08580	9.6
133.10120	18.0
135.08073	5.8
135.11696	15.8
137.09587	13.4
139.11165	13.4
143.08481	4.3
145.10107	5.3
147.04451	4.4
147.11691	11.5
149.13274	9.3
151.11185	9.0
151.57248	3.9
153.12761	5.4
157.10178	4.0
159.11674	7.6
161.13220	8.0
163.11047	3.6
165.12750	6.7
175.03908	4.3
179.14253	4.4
189.11174	4.6
195.13736	3.9
241.19568	6.2
249.22165	7.3
256.17477	4.8
259.20490	14.0
277.21637	88.1
278.24927	4.7
295.22708	68.5
296.25879	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	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.00278	0.7
53.03947	5.6
55.01876	4.3
55.05509	24.3
57.03427	3.6
57.07074	11.5
65.03924	1.0
66.86456	0.6
67.05503	32.3
69.03417	2.5
69.07067	20.2
70.18372	2.4
71.04986	3.0
71.08594	2.7
77.03955	0.7
79.05016	0.9
79.05489	26.3
81.03415	22.6
81.07052	34.1
83.04978	12.0
83.08619	9.5
85.02887	1.0
85.06529	2.0
85.10178	16.5
85.72948	0.7
86.09711	0.7
90.51663	0.6
91.05481	15.6
93.07040	22.3
95.04382	1.2
95.04965	20.1
95.08602	19.1
97.02867	3.3
97.06524	5.0
97.10168	7.6
99.04478	0.6
99.08077	1.9
104.10725	0.9
105.07024	13.8
107.04950	3.7
107.05557	0.8
107.08586	13.3
109.06508	5.9
109.10147	10.2
111.08066	2.8
113.08893	1.2
113.09643	16.2
113.10424	0.8
117.07047	1.3
119.08565	8.7
121.06512	0.9
121.10145	7.3
123.08082	4.6
123.11702	2.9
125.09624	3.0
129.07008	1.3
131.08545	3.6
133.06488	24.0
133.07520	1.1
133.10141	6.4
134.06830	1.2
135.08066	2.3
135.11662	3.6
137.09598	1.3
137.13243	0.7
139.11189	1.6
145.04945	0.7
145.10117	2.3
147.11674	5.0
149.09579	5.7
149.13245	2.6
151.07533	0.7
151.11186	7.5
151.14862	0.6
153.12726	1.8
157.10124	1.4
159.11693	1.2
161.09586	1.0
161.13274	2.7
163.11182	1.9
163.14757	0.7
165.12744	28.4
167.14326	1.8
171.11671	1.4
173.11766	0.7
173.13240	0.7
175.11212	1.3
175.14859	1.4
179.14313	3.3
181.12202	1.3
184.07417	0.7
185.13281	1.1
189.11192	2.0
189.12718	0.9
193.15829	1.0
207.13783	2.7
213.90317	0.7
231.21121	1.7
241.19490	0.9
249.22099	2.1
259.20566	2.5
277.21616	55.4
278.22070	1.0
295.22668	100.0
296.22913	2.7
296.25900	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	295.1901
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.53008	3.0
53.03949	3.3
55.01857	14.1
55.05505	12.9
57.07075	4.5
61.05033	2.7
67.05505	27.3
69.03404	4.4
69.07056	13.2
69.66753	10.4
69.67184	11.3
71.08636	3.5
73.04066	3.5
74.23742	2.9
79.05511	13.9
79.05907	3.6
81.03426	5.0
81.07056	56.5
81.23685	2.8
82.07407	3.3
83.04999	5.0
83.08610	12.8
84.08114	2.9
85.06578	2.9
85.10180	4.2
87.19724	2.9
91.05486	15.9
93.07055	19.0
95.04954	8.4
95.08614	16.5
97.06526	6.6
105.07027	13.1
107.04925	2.9
107.08611	11.4
109.06504	16.4
109.10156	11.2
111.04436	11.8
111.08089	7.9
113.09680	6.0
115.59884	2.6
119.08577	10.1
121.10133	8.8
125.05939	4.3
131.08542	5.3
133.10117	11.2
135.07990	3.4
135.11671	5.9
137.05974	100.0
145.10167	4.7
147.11696	10.0
149.09666	6.3
149.13177	4.1
151.11223	3.8
161.09573	5.0
161.13284	6.7
165.12819	6.2
172.28912	3.4
175.11092	7.0
203.17926	4.4
231.17445	11.3
249.18480	11.6
259.20773	3.3
265.12357	3.6
277.17996	30.6
277.21594	28.4
295.19464	4.9
295.22681	19.5
296.25677	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	3.5
55.01861	3.4
55.05508	20.7
57.03400	1.6
57.07063	4.8
65.03925	2.0
67.05504	42.7
68.05892	1.5
69.03432	2.5
69.07065	16.7
69.52785	12.0
71.04987	3.0
71.08630	7.2
79.05068	2.1
79.05491	20.0
81.03418	8.4
81.06594	2.2
81.07048	26.7
83.04962	6.5
83.08612	12.5
85.06548	3.9
85.43648	1.7
91.05478	11.5
93.07040	25.7
94.04183	3.5
95.04998	7.9
95.08604	20.8
97.06529	2.7
97.10161	11.3
99.08070	5.1
105.07040	10.2
107.08583	15.3
109.06496	4.6
109.10152	13.8
111.08039	1.8
113.09669	1.4
113.42913	1.5
117.07019	3.4
119.08548	5.6
121.10136	9.4
122.03648	9.6
123.03980	4.4
123.08028	2.0
123.11652	2.5
125.09620	10.3
131.08572	3.0
133.10121	6.6
135.11702	9.9
137.05975	100.0
137.09634	1.9
138.06313	80.0
139.11166	3.7
141.12730	3.3
142.13048	2.5
143.08571	1.5
145.10123	3.5
147.11630	4.7
149.13220	4.2
151.11176	6.6
159.11726	2.4
161.13234	3.8
163.11133	2.5
163.14742	2.2
165.12708	1.8
171.11665	2.5
175.03946	1.6
175.14830	2.4
179.14345	3.0
185.13206	1.5
189.11218	7.9
189.12704	2.1
199.14748	2.1
220.91566	1.3
231.21007	1.8
241.19531	3.8
259.20538	6.0
277.21643	38.0
277.24704	2.1
278.21896	1.4
295.22632	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	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03929	7.0
55.01870	12.8
55.05511	94.4
55.14251	2.2
57.07064	3.7
67.05502	50.9
69.07072	29.4
70.03674	8.8
71.04990	5.5
71.08601	3.2
72.78648	2.1
79.05491	23.9
81.03417	10.9
81.07053	48.3
83.04971	12.5
83.08616	100.0
85.06555	4.4
91.05475	38.8
93.07049	30.1
95.04974	11.4
95.08044	3.6
95.08598	26.1
97.06521	8.6
97.10140	4.5
99.08048	2.3
105.07027	25.8
107.04950	2.5
107.08602	19.5
108.45267	2.3
109.06465	4.8
109.10184	11.9
111.08090	24.2
117.06975	3.4
119.08592	18.3
121.06546	2.6
121.10126	18.0
123.08073	3.4
123.11716	7.1
125.09640	3.3
129.06996	5.7
129.09119	4.1
131.08549	6.5
133.10136	34.3
135.11670	8.8
139.11188	12.6
145.06535	2.2
145.10066	4.8
147.11699	28.8
149.09616	7.7
149.13271	22.9
151.11188	10.6
157.10133	12.4
159.11697	4.0
161.13280	8.3
163.11089	2.6
165.12755	16.5
167.14337	8.7
171.11760	3.3
175.11174	11.4
179.14250	3.3
185.13152	3.4
193.12268	5.0
198.07617	2.2
222.47951	2.3
230.28613	1.9
231.20987	2.5
240.11829	2.6
241.19443	3.7
249.22093	2.2
259.20526	8.6
262.60730	2.2
277.21616	41.2
295.22733	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	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
53.03930	0.3
55.05507	0.5
56.05030	0.7
58.06599	0.6
60.04566	0.2
67.05531	0.2
69.07062	0.5
70.06577	0.9
70.71405	0.6
72.08153	1.9
74.06075	0.2
79.80443	0.2
84.04506	4.7
84.08140	2.9
85.08453	0.5
86.09707	3.6
88.03983	0.3
91.05466	1.0
93.07044	1.8
95.04987	0.2
98.09707	0.4
102.05550	1.9
103.05470	6.6
103.31947	0.2
110.07160	0.3
112.08686	0.2
118.06554	0.3
119.04952	0.2
120.08106	100.0
121.08463	1.0
129.10220	1.4
130.05003	2.4
130.08643	0.3
131.04976	0.3
136.07608	0.6
146.06015	1.2
148.04865	0.4
148.06050	8.2
156.07669	0.3
157.13249	0.2
166.73164	0.2
176.07941	0.4
192.64519	0.2
202.45351	0.2
216.22456	0.2
249.12367	0.6
256.86148	0.2
260.09143	0.4
263.14706	0.6
263.56693	0.2
277.11774	0.6
278.06607	0.7
295.12958	4.9
295.17325	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	295.1289
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
51.17032	0.6
55.05503	1.0
55.73392	0.7
56.05026	4.5
60.04521	0.9
60.09790	0.6
63.53993	0.6
64.64838	0.6
69.07059	1.5
69.90337	4.0
70.06581	3.2
72.08145	3.9
74.06075	0.6
79.05445	0.7
79.43609	0.6
81.07056	0.6
84.04498	55.3
84.08129	4.9
85.02906	1.3
86.09700	73.3
91.05473	1.8
93.07051	1.0
102.05540	9.3
103.05454	2.6
106.76025	0.7
107.04950	1.5
109.10133	0.7
110.07140	1.3
119.04919	0.9
119.07323	0.7
120.08095	100.0
121.08413	1.6
123.04444	2.1
129.10239	2.5
130.04997	0.7
131.04913	1.7
134.48811	0.6
135.04414	0.6
136.07561	7.8
139.03885	0.7
141.20895	0.6
145.02913	0.6
147.04369	1.1
148.07465	0.7
149.05975	1.2
150.05490	1.2
163.03856	1.4
165.05489	3.8
166.08632	43.9
167.08949	1.2
182.08121	9.0
186.09177	4.0
186.24857	0.6
231.11264	30.4
259.10782	1.7
277.11826	24.7
295.16681	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	295.1653
Annotation	H-Ile-Tyr-OH
Peak:m/z	Relative Intensity
55.05508	0.6
56.05029	0.8
59.07837	0.3
60.04541	0.5
67.05495	0.4
69.07063	1.0
70.06599	2.0
71.50418	0.5
71.50771	0.5
72.08167	1.7
74.06087	0.5
79.05511	0.6
79.55138	0.3
81.07045	0.8
84.04504	4.4
84.08152	3.2
86.09708	100.0
87.10044	0.4
91.05440	1.7
93.07055	0.4
95.04984	0.6
99.58920	0.3
100.98772	0.4
102.05548	0.9
107.04931	0.4
107.08610	0.4
110.07186	1.5
119.04947	2.1
120.08102	6.3
121.08480	0.5
123.04438	2.9
129.10255	1.5
130.05034	0.5
136.07581	10.1
147.04428	1.3
152.07037	0.5
163.03918	0.8
165.05489	4.8
166.08665	2.5
175.03865	0.4
182.08125	11.3
206.62703	0.4
231.11357	1.3
249.16104	0.5
277.11929	1.4
277.21802	0.6
295.10001	0.5
295.16446	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	295.1652
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
51.38950	0.2
56.05019	0.4
65.03923	0.3
69.07053	0.4
69.73618	0.4
69.74027	0.8
70.06587	0.7
72.08140	0.8
74.02440	0.8
74.06071	0.3
76.39315	0.2
79.05457	0.2
84.04487	0.3
84.08136	1.5
86.09704	6.0
91.05476	22.8
92.05807	0.3
93.07044	0.3
98.21510	0.3
107.04958	0.7
108.08125	0.3
109.06489	0.5
118.06513	1.2
119.04935	16.3
120.08097	0.4
121.06509	2.4
129.10231	0.8
130.08624	1.0
132.10176	1.8
136.07568	100.0
137.07925	0.7
147.04404	0.6
147.11258	0.4
150.07721	0.2
161.10793	0.2
162.05516	0.3
172.66951	0.2
173.70836	0.2
173.72345	0.2
181.04584	0.2
187.14398	0.4
203.08107	0.2
206.03865	0.3
218.50632	0.2
249.15993	1.2
250.14357	0.6
262.13962	0.3
278.13800	1.1
295.16519	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	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.84340	0.3
55.01852	0.4
55.05223	0.2
55.05501	0.8
57.07064	0.6
66.04729	0.4
67.05505	1.6
69.59490	1.8
71.08632	0.4
79.05473	0.9
80.05788	0.3
81.07050	2.6
82.07397	0.4
82.62998	0.3
83.08632	0.5
91.05483	0.9
93.07085	0.3
94.04192	2.0
95.04953	0.6
95.08620	0.4
105.07030	0.4
107.04935	0.3
107.08575	0.6
108.08899	0.3
109.06507	0.7
109.10153	0.6
114.09151	0.4
121.10215	0.3
122.03639	7.0
123.11707	1.7
133.10136	0.6
134.10425	0.6
137.05969	100.0
138.06334	2.0
152.11514	0.3
157.78568	0.3
158.15376	1.4
170.15381	2.1
270.49307	0.2
276.20367	1.3
289.20993	0.3
294.21103	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	294.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
57.07068	1.2
59.65318	0.2
60.49426	0.2
67.05498	0.6
71.08635	1.2
71.11460	0.6
79.05473	0.9
81.07052	1.0
88.07637	0.5
91.05480	0.6
93.07005	0.4
94.04177	2.5
105.87753	0.3
107.08553	0.4
109.06491	0.9
112.38752	0.3
122.03648	7.4
137.05975	100.0
138.06296	1.3
141.12729	2.3
158.15431	1.4
170.15392	0.3
176.21945	0.3
206.12798	0.3
211.24408	0.3
276.20441	0.3
277.21667	0.5
294.21112	0.3
294.24304	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	295.1175
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
53.03945	6.6
55.01875	7.8
55.05507	38.2
56.11185	1.4
57.03432	25.0
57.07064	1.5
58.51415	1.2
59.04973	1.8
61.37754	1.3
65.03915	1.4
65.91122	1.3
66.09178	1.5
67.05505	25.5
69.03427	73.0
69.07061	28.6
69.89038	6.1
70.06571	3.5
71.04990	21.5
72.08142	2.0
73.02895	3.8
79.05486	19.0
81.03415	58.1
81.07055	32.7
82.04200	19.9
83.04495	2.9
83.04974	49.4
83.08618	16.4
84.08109	3.1
85.02898	20.4
85.06534	5.4
86.09697	3.9
87.00858	1.6
91.05470	22.4
93.07040	38.5
95.01329	3.1
95.04958	12.6
95.08601	40.0
97.02880	11.9
97.06530	14.2
99.04439	6.0
99.08070	7.8
103.05443	3.7
105.07020	10.9
107.04939	6.2
107.08597	8.4
109.02901	2.0
109.06504	5.1
109.10139	2.6
110.07124	1.8
111.04459	15.2
111.08076	100.0
112.08582	1.6
113.09656	11.7
115.05492	3.5
117.07025	9.0
119.08556	6.4
120.08094	3.7
121.06517	5.4
121.10156	3.1
123.04407	4.0
123.08060	16.7
123.11684	1.9
125.05979	2.6
127.03915	2.4
127.07555	14.4
128.06245	1.5
129.07028	2.1
129.10214	1.6
131.05026	1.6
131.08534	3.2
133.06447	4.2
133.10136	3.1
135.04359	1.8
135.08043	17.2
139.07530	85.5
141.09097	66.4
145.06378	1.7
145.10117	4.3
147.04349	3.0
147.07996	4.6
149.09593	3.9
151.07539	31.1
161.09618	3.3
163.03902	2.5
163.11154	4.8
165.07733	2.4
167.07001	3.4
173.09628	3.4
175.03912	1.6
179.10518	2.2
189.09067	2.9
191.10634	12.5
207.08215	2.1
207.10132	25.4
209.11734	42.4
225.11203	7.7
295.11859	37.6
295.17261	5.9
296.18448	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	294.1701
Annotation	Sieboldine A
Peak:m/z	Relative Intensity
55.01865	1.2
55.05497	0.5
56.05024	2.0
58.06314	0.7
58.06596	11.1
60.04506	0.9
60.08165	3.2
61.02922	5.2
67.05518	0.5
69.07047	1.1
70.06591	5.4
71.18887	0.9
72.08145	2.9
74.06071	0.9
79.05480	0.4
81.07063	0.7
83.06100	7.5
84.04502	9.8
84.08141	9.4
86.09704	4.4
87.04473	0.6
91.05479	3.3
93.07038	0.6
97.63300	0.4
98.09686	19.1
101.07098	0.8
101.10791	0.4
102.05560	0.6
103.05456	0.6
105.07024	2.6
107.04961	1.3
110.06015	0.8
117.07015	1.8
119.04980	0.6
119.08575	4.2
120.07260	0.9
120.08096	13.4
123.04394	0.6
128.06212	1.3
129.07001	6.5
129.10214	3.4
130.05029	0.6
130.08650	1.0
131.04922	0.7
131.08504	2.4
132.05675	1.0
133.06450	0.6
136.07594	0.7
137.05954	0.6
141.06952	0.4
142.07785	0.5
147.08038	10.9
147.11339	1.1
149.06024	0.8
149.09627	1.8
150.05455	0.8
157.06442	3.6
159.08044	2.0
160.05171	3.1
161.05988	1.4
163.03906	0.6
164.07080	0.4
166.08638	4.8
174.06654	0.6
175.07538	16.6
175.09056	0.9
177.07706	0.9
177.09081	5.0
186.09143	1.3
189.09082	0.6
191.10693	0.7
196.43224	0.5
203.07004	4.8
203.10727	1.2
205.08562	1.6
219.10010	0.7
230.12892	0.5
231.11400	2.6
235.09428	0.5
244.13348	0.6
248.14856	0.6
249.43353	0.4
262.14380	6.2
276.13397	6.7
276.16055	0.9
277.11792	3.0
294.16977	100.0
295.17285	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	294.1447
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
55.05503	0.5
56.05011	2.0
60.04512	0.7
69.03439	0.5
69.07079	0.6
69.51373	1.1
69.51800	2.4
70.06591	5.2
72.08144	2.4
74.06066	0.8
75.18441	0.4
79.05488	0.5
84.04500	25.7
84.08140	23.2
85.02891	1.0
85.08467	0.5
86.06099	0.4
86.09705	3.3
88.03963	0.4
91.05480	1.2
93.07044	2.4
95.04947	0.5
98.09633	0.5
98.21494	0.9
101.07139	3.6
101.10748	0.8
102.05544	1.4
103.05456	6.9
110.06027	0.8
110.07156	1.0
112.08698	0.7
116.07069	0.4
118.03223	0.7
118.06538	0.6
119.04947	0.4
119.08569	0.4
120.08097	100.0
121.08425	1.1
123.04472	0.5
127.08626	0.5
129.10239	6.4
130.04993	34.6
130.08640	2.5
131.04909	2.3
136.06166	0.4
136.07588	1.2
137.07840	0.6
146.05928	0.6
147.07637	39.6
147.11218	2.2
148.07678	0.8
152.07019	0.6
162.07742	1.9
163.03918	0.4
165.10234	3.6
176.06992	0.4
186.09122	0.6
259.10818	0.7
260.09320	1.2
262.14371	0.6
276.13245	0.5
277.11832	4.2
277.14969	0.8
294.06366	0.6
294.14456	8.8
294.17743	3.8
294.46164	0.4
298.24460	0.4
310.33258	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	294.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
55.05498	1.9
56.05048	10.5
56.96558	2.4
58.06603	8.8
60.08155	4.5
61.02906	4.0
67.05500	2.2
69.07056	5.1
70.06586	20.4
70.41314	6.5
72.08160	9.2
81.03410	2.0
81.07033	2.6
83.06101	56.1
83.15541	1.7
84.04504	75.2
84.08142	31.0
86.09701	24.7
88.03979	2.4
91.05468	8.1
98.09692	20.4
101.07135	9.9
103.05443	4.0
105.07040	4.0
107.04942	2.0
112.08680	1.8
119.04958	2.4
119.08538	4.3
120.08104	100.0
121.08401	2.0
129.06943	6.7
129.10245	11.1
130.08641	2.6
131.04915	1.9
136.07567	2.5
147.08029	12.0
147.11301	5.1
157.06464	4.0
163.03915	4.4
166.08630	40.2
175.07555	16.6
177.07668	1.8
177.09100	3.9
186.09079	4.3
189.75685	2.2
203.07014	3.3
216.06569	3.5
218.12050	1.8
230.12881	6.8
231.11261	24.0
259.10669	3.1
262.14346	3.8
276.05112	2.3
276.13422	57.8
277.11807	23.3
294.09814	3.4
294.14233	3.6
294.17001	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	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03933	3.3
55.01860	4.4
55.05510	46.4
57.03414	3.9
57.07072	26.0
59.04995	3.2
65.03931	1.6
67.05500	37.4
69.03411	2.2
69.07066	100.0
70.06568	2.7
70.17934	4.1
71.04998	6.8
71.08627	9.2
72.08147	1.4
73.06550	8.3
79.05489	22.4
81.03393	2.7
81.07051	87.0
82.07402	1.7
83.04987	7.0
83.08615	53.8
85.02866	1.6
85.06532	3.6
85.10140	3.4
86.09715	1.4
86.52110	1.2
91.05480	13.4
93.07039	39.6
95.04948	7.6
95.08603	79.1
97.06522	16.6
97.10157	19.2
97.89677	1.2
98.21451	1.6
98.97594	1.3
99.08069	4.3
105.07026	15.9
107.04952	2.4
107.08582	35.8
108.08871	1.5
109.06508	3.9
109.10152	48.9
111.08057	10.1
111.11734	9.9
117.06980	3.7
119.08570	7.5
121.06515	3.2
121.10132	22.9
123.08060	4.2
123.11703	20.9
125.09618	4.9
125.13254	4.6
127.11152	1.6
131.08563	6.5
133.10132	8.8
135.08051	1.5
135.11679	16.9
137.06020	2.1
137.09566	1.9
137.13245	11.6
139.11165	4.1
143.08591	1.4
145.10075	4.7
147.08012	1.8
147.11650	4.9
149.09602	4.5
149.13248	25.1
151.11205	2.8
151.14783	5.5
151.29079	1.5
153.12727	4.4
159.11659	2.5
161.13217	1.6
163.11147	2.3
163.14784	9.4
165.16379	5.1
167.14296	2.4
171.11668	1.6
173.13263	2.0
177.12692	2.7
177.16370	3.1
179.17944	2.4
183.11636	1.4
183.28671	1.5
191.17929	4.9
193.19501	2.0
205.19545	3.6
209.18945	2.7
219.20966	3.8
223.13164	1.5
227.65625	1.7
237.22150	1.4
247.20612	1.4
250.06265	1.5
254.66919	1.5
257.18958	5.1
273.65897	1.4
275.20065	31.6
275.27255	11.5
276.16843	2.2
276.20117	2.4
278.05731	2.0
293.08133	5.4
293.21265	13.5
293.28351	52.4
294.28778	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	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03921	1.2
55.01857	3.6
55.05508	27.4
57.03428	2.0
57.07075	20.5
65.03922	1.2
67.05502	36.3
69.03413	4.2
69.07065	55.4
69.43974	5.0
69.44398	3.4
70.06577	1.4
70.87206	1.0
71.04985	5.4
71.08630	10.5
79.05489	17.4
80.11085	0.9
81.07052	100.0
83.04964	2.5
83.08614	37.4
84.08152	1.9
84.21004	0.9
85.06544	14.5
85.10184	2.7
86.09698	1.1
91.05479	8.8
93.07040	32.6
94.07388	0.9
95.04965	3.6
95.08602	91.1
97.06516	5.2
97.10163	17.9
98.21525	1.7
99.08083	8.5
101.56986	1.0
105.07018	7.1
107.04958	1.1
107.08587	34.0
107.09317	1.9
109.06495	2.5
109.10151	54.8
111.08073	13.2
111.11715	10.2
113.09617	2.2
117.07010	1.1
119.08578	3.0
120.08090	1.3
121.10139	18.4
123.08067	1.7
123.11695	42.2
125.09643	4.7
125.13248	3.5
127.11151	1.5
131.08577	1.9
133.10121	2.5
135.11687	7.2
137.13242	35.0
139.11147	2.6
139.14780	1.1
145.10115	2.3
147.11659	2.2
149.09601	1.8
149.13252	25.2
151.14865	5.0
153.12750	4.2
155.14368	1.1
161.13329	1.0
163.14810	6.8
165.16388	3.9
167.14319	13.1
177.16412	2.2
179.17975	2.3
191.17958	2.1
193.19485	1.1
203.37679	0.9
205.19708	1.4
209.19150	1.0
218.07195	1.1
219.21098	2.2
245.61540	1.1
249.25809	2.4
257.19043	2.0
271.08533	1.0
275.20151	6.0
275.27243	7.1
293.08478	1.0
293.21259	5.4
293.25024	2.0
293.28369	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	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.51853	0.9
53.03942	7.9
55.01857	3.2
55.05509	23.2
57.03426	1.6
57.07070	15.9
64.91148	0.8
65.03928	1.2
66.02872	1.0
67.05501	39.9
69.03420	3.4
69.07065	56.4
70.06578	1.4
71.04988	3.9
71.08626	7.9
72.08147	8.5
79.05492	21.3
79.05931	2.2
81.03420	15.2
81.07051	100.0
83.04971	4.0
83.08612	29.9
84.04469	1.1
85.06534	10.0
85.10164	2.0
86.09708	1.7
88.62257	1.0
91.05480	11.1
91.53561	1.1
93.07039	31.4
95.04963	6.1
95.08601	87.2
97.06511	7.3
97.10165	13.4
99.08090	7.5
99.40234	1.2
105.07030	11.2
107.04980	6.4
107.07883	2.1
107.08585	31.6
108.08876	1.1
109.06522	3.2
109.10151	48.7
111.08060	11.3
111.11720	9.4
113.09643	1.3
117.07006	3.2
118.08629	2.4
119.08585	6.5
120.08060	3.0
121.06464	1.7
121.10130	15.4
123.08064	4.8
123.11699	36.9
125.09611	4.8
125.13274	2.0
131.08594	5.1
133.06435	1.4
133.10117	6.2
135.08073	1.6
135.11688	13.4
137.09669	1.4
137.13246	28.6
145.06464	2.0
145.10118	3.6
147.11671	4.0
149.09604	3.3
149.13251	22.7
151.11073	1.4
151.14786	5.2
153.12773	2.0
157.10092	1.3
159.11652	4.2
163.11191	2.9
163.14764	5.2
165.16367	3.0
167.14304	10.7
171.11688	1.5
173.13341	1.6
177.12704	2.8
177.16267	1.1
179.14349	2.4
179.17801	1.2
187.11124	2.8
191.17969	2.2
193.19460	1.4
219.21005	2.2
248.20094	2.3
249.25682	2.3
250.06168	1.3
257.18994	2.4
275.20081	11.5
275.27322	3.0
293.08282	1.3
293.13663	1.3
293.21109	27.7
293.24658	2.2
293.28323	31.1
294.20908	2.4
294.28778	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	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.1
53.03932	1.4
55.01857	3.0
55.05511	26.8
56.96566	1.4
57.03426	2.0
57.07076	19.9
59.04969	1.7
67.05505	35.8
69.03415	3.7
69.07067	55.5
70.06580	2.6
71.04987	3.0
71.08630	8.7
71.51761	1.6
72.08127	2.1
76.39810	0.9
79.05492	17.7
81.03413	2.6
81.07054	100.0
82.07355	1.3
83.04962	2.6
83.08618	37.7
84.08130	3.3
85.06540	12.4
85.10168	3.1
86.09686	3.5
91.05476	11.5
93.07045	31.6
93.07635	1.6
95.04963	6.1
95.08607	85.8
95.66248	0.9
96.08935	2.0
97.06547	6.5
97.10171	16.6
97.87908	0.9
99.08077	7.5
105.03326	0.9
105.07034	6.6
107.04904	1.5
107.08592	36.4
109.06511	2.3
109.10154	52.6
109.63917	0.9
111.08088	11.5
111.11719	10.3
113.09685	1.2
116.98675	1.0
117.06984	1.8
119.08565	4.1
120.08098	4.0
121.06559	1.7
121.09234	1.1
121.10136	20.6
123.08064	1.2
123.11710	41.7
125.09619	3.1
125.13281	4.8
127.11182	1.4
129.07014	1.1
129.10252	1.5
131.08554	3.8
133.10118	3.9
135.04413	1.2
135.08047	2.5
135.11700	10.1
137.05959	2.2
137.09537	1.8
137.13249	26.3
139.11179	3.3
145.06497	1.3
145.10114	2.1
147.11667	2.9
149.02335	1.0
149.09613	3.1
149.13261	22.9
150.13599	1.3
151.14792	4.2
153.12732	3.1
157.10014	1.2
159.11696	1.6
161.13239	1.2
163.14803	6.3
165.16396	3.0
167.03424	3.9
167.14331	9.2
173.13206	1.3
177.16435	2.1
179.17973	2.3
180.10184	1.1
187.14828	1.2
187.64458	0.9
191.17847	1.1
193.19482	1.9
205.19485	2.1
219.21031	2.0
249.25800	2.2
257.18936	1.3
275.09125	0.9
275.20074	9.7
275.27338	6.0
293.10397	1.8
293.21402	5.6
293.25015	1.3
293.28369	39.2
294.07620	1.2
301.07013	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	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.03164	0.4
53.03949	1.4
55.01877	1.4
55.05510	9.7
56.92129	0.5
57.07074	2.0
65.03946	2.6
67.05503	90.5
68.22530	0.5
69.03426	0.6
69.07069	10.5
69.59313	2.3
69.59726	0.8
70.38895	0.5
71.04960	0.6
71.08621	0.7
73.06559	0.6
79.05492	15.9
81.03430	0.9
81.07054	100.0
83.04978	2.0
83.08620	6.8
85.06544	2.2
91.05483	8.1
93.07038	17.8
95.04961	2.8
95.08604	78.2
97.06509	3.4
97.10148	3.4
98.21485	1.0
99.08081	1.1
105.07040	6.3
107.04935	0.8
107.08594	10.4
109.06525	1.8
109.10155	32.6
111.08077	1.6
111.11725	0.6
117.07014	3.4
119.08569	5.6
121.06503	1.0
121.10148	10.7
123.08072	3.3
123.11704	17.4
125.09610	1.6
129.09105	0.6
131.08554	7.9
133.10110	5.6
135.08031	1.7
135.11690	7.3
137.09592	2.4
137.13248	9.6
139.11140	0.6
141.09058	0.7
143.08496	0.6
143.10704	0.6
145.10123	5.4
147.11682	4.7
149.09641	4.0
149.13287	4.8
151.11125	2.5
151.14796	3.8
155.10625	0.6
157.10164	0.9
159.11688	5.4
161.13249	3.4
163.11185	4.9
163.14830	3.4
165.12712	1.5
165.16380	1.1
169.10146	0.6
173.13263	7.3
177.12752	3.7
177.16406	2.7
179.14264	1.7
179.17882	0.5
187.14844	4.2
191.14246	2.2
195.13734	1.1
201.16393	0.8
205.15816	2.1
209.15364	0.9
217.19498	0.5
219.17383	0.7
219.21008	1.4
223.13026	0.5
223.16887	2.1
233.22618	1.0
237.11206	1.1
237.18350	0.9
239.17935	1.4
243.21100	7.0
257.18903	1.8
261.22180	7.4
275.17291	0.8
275.20056	8.3
293.21063	3.0
293.24631	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	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03937	2.4
55.01851	3.9
55.05510	28.1
57.03422	1.4
57.06802	1.0
57.07074	19.4
59.04982	1.1
65.03928	2.0
67.05506	36.4
69.03411	4.3
69.07068	54.4
70.06572	2.1
70.14162	2.4
70.14559	1.7
71.04964	2.5
71.08634	7.4
79.05492	18.5
81.03391	3.6
81.07056	100.0
82.07346	1.1
83.04969	2.2
83.08618	30.7
84.08134	2.4
85.02891	2.0
85.06553	9.8
85.10155	2.2
86.09697	2.3
91.05468	10.1
93.06488	1.7
93.07043	25.2
94.07894	1.0
95.04984	4.7
95.08605	89.4
96.08910	1.2
97.06535	5.0
97.10165	15.1
99.08097	8.4
105.07037	8.5
107.04938	2.5
107.07880	2.0
107.08588	34.1
109.06493	2.7
109.10157	58.6
110.10465	1.5
111.08074	9.2
111.11718	7.5
113.09621	1.7
117.07003	2.3
119.08548	4.5
120.08096	2.4
121.06504	1.2
121.09240	1.1
121.10140	18.2
123.08044	1.9
123.11703	39.0
124.12021	1.4
125.09579	3.5
125.13245	3.3
127.11212	1.1
129.10281	1.0
129.14943	0.9
131.08546	3.2
133.10086	2.9
135.11671	8.7
137.05907	1.7
137.09552	1.1
137.13255	31.0
139.11142	2.9
140.11504	1.1
145.10097	2.8
147.11656	3.2
149.09573	2.7
149.13281	21.0
151.07684	1.0
151.14824	5.0
153.12712	2.4
159.11723	1.6
163.11227	1.4
163.14865	5.1
165.16367	2.2
167.14302	9.5
173.13225	1.7
177.12714	1.8
177.16367	1.8
179.17903	1.8
182.85637	1.0
191.17953	1.4
193.19560	1.0
205.19522	1.8
209.19026	1.3
215.14531	1.1
219.20956	1.8
221.93022	1.0
249.25595	2.0
250.06197	1.1
257.19043	0.9
257.22882	0.9
275.20038	11.4
275.22974	1.7
275.27359	5.0
292.81573	0.9
293.07800	1.5
293.21353	8.6
293.24823	2.3
293.28339	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03934	4.2
55.01853	8.6
55.05268	3.4
55.05510	44.6
67.05502	34.6
69.03423	3.0
69.07068	10.6
71.04980	3.2
71.35305	2.4
71.55009	4.1
79.05492	78.5
81.07054	27.9
83.04992	12.9
83.08620	17.6
85.02834	2.6
85.06491	2.6
91.05476	24.6
93.07031	32.4
95.04967	6.0
95.08604	11.1
97.06533	3.9
97.10172	31.7
105.07033	27.1
107.04953	36.3
107.08589	57.5
109.06513	2.5
109.10151	16.7
111.08066	3.5
117.07028	7.5
119.08591	19.8
121.06540	2.0
121.10141	15.2
123.11705	8.9
125.08907	2.7
125.09637	29.3
126.19353	2.2
129.06958	3.0
131.08577	10.7
133.10110	19.7
135.08006	7.1
135.11636	5.9
145.10034	11.3
147.11719	15.3
149.09619	92.1
153.09071	7.6
159.11711	11.3
161.13310	3.8
169.12215	3.8
171.10170	4.3
171.11609	3.2
173.11743	4.7
173.13205	2.9
187.11191	3.1
187.13260	2.9
187.14844	2.4
189.11232	27.2
229.19499	6.7
247.20500	2.9
257.19037	23.3
258.01193	2.4
275.20056	100.0
293.21182	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.38441	1.7
53.03931	3.3
55.01871	15.2
55.05507	23.6
57.03428	2.7
57.07069	3.8
65.03938	2.5
65.10413	2.1
67.05500	47.4
69.03437	2.5
69.07072	26.5
69.24494	21.5
70.44090	2.0
71.04995	3.9
79.05490	41.9
79.05933	4.2
79.09385	1.9
81.03415	11.7
81.07051	79.9
83.04960	6.6
83.08629	16.3
83.96551	2.0
85.06552	5.0
86.52013	1.8
91.05473	33.8
93.07038	34.9
95.04969	13.8
95.08599	40.5
97.06524	18.3
97.10163	9.9
99.08075	3.6
100.81332	1.9
105.07024	28.2
107.04955	10.4
107.08589	41.2
109.06520	18.2
109.10152	19.6
111.08069	6.3
117.06980	8.3
119.08582	28.1
121.06508	4.3
121.10126	19.7
123.08051	9.1
123.11724	10.0
125.09620	9.5
129.06952	2.1
131.08540	13.6
133.10124	22.7
135.08025	7.2
135.11705	11.7
137.09583	6.7
137.13252	3.9
139.11159	2.8
145.10127	11.0
147.08101	2.2
147.11681	15.3
149.09596	18.0
149.13231	6.1
151.11230	11.2
157.10097	4.2
159.11633	11.0
161.09593	3.2
161.13190	5.9
163.11176	12.8
165.09129	2.9
165.12791	5.5
169.10123	2.6
171.11676	3.1
173.09598	2.4
173.13243	5.7
175.11162	3.9
177.12704	3.3
187.11166	3.2
187.14822	2.6
189.11246	5.3
197.13162	3.9
201.12738	3.1
213.16321	2.0
229.19557	4.4
239.17920	5.0
240.18114	2.3
247.20549	11.0
257.18997	13.9
275.20044	100.0
276.20422	4.3
293.21133	38.3
293.28235	3.0
294.21509	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	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.04559	0.6
51.76243	0.7
53.03951	1.2
55.05505	9.5
57.07074	2.0
59.05002	0.7
62.21572	0.6
65.03938	2.2
67.05502	100.0
69.07067	8.9
70.71684	1.0
70.72020	1.5
73.03757	0.7
79.05488	13.4
81.07052	94.1
83.04961	1.3
83.08617	5.2
85.06561	1.0
91.05481	5.1
93.07040	12.3
95.04930	1.0
95.08604	67.2
97.06535	1.2
97.10168	1.9
98.20906	0.7
99.08067	0.9
105.07014	4.1
107.08583	7.3
109.06522	0.9
109.10153	34.7
111.08067	1.2
117.06999	1.8
119.08567	3.3
121.10135	6.2
123.08090	1.3
123.10824	1.4
123.11698	18.6
129.53152	0.6
131.08548	4.4
132.38173	0.6
133.10130	2.4
135.11690	4.0
137.09602	1.7
137.13263	6.7
145.10071	2.6
147.11684	1.9
149.09561	1.4
149.13197	2.0
151.14774	2.1
159.11623	2.4
161.13173	1.4
163.11176	1.4
163.14803	2.2
165.12750	1.6
173.13249	3.4
175.14774	0.8
177.12704	1.9
177.16388	1.6
187.14815	1.6
191.14268	0.8
237.18439	1.3
243.20978	2.5
261.22110	5.6
293.21707	1.0
293.24744	13.6
314.32541	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	3.0
55.01867	12.8
55.05510	56.3
57.03435	4.1
59.04990	2.5
65.03930	3.1
66.22601	2.4
67.05502	47.1
69.03415	4.8
69.07070	25.1
70.47598	7.2
71.04994	5.6
77.89051	1.9
79.05490	62.7
80.91579	2.2
81.03407	5.9
81.07053	42.2
83.04992	7.8
83.08616	28.1
85.06539	4.8
91.05479	40.6
93.07040	39.5
95.04964	36.7
95.08608	37.6
97.06534	10.1
97.10166	28.0
105.07024	40.7
107.04958	12.0
107.08591	100.0
109.06526	6.0
109.10168	19.4
111.08097	4.8
111.69804	2.0
115.05434	2.3
117.07034	8.8
119.08575	23.1
121.06522	3.4
121.10152	21.4
123.08075	7.8
123.11704	6.1
125.09623	20.1
129.07021	4.4
131.08559	16.1
133.10141	23.3
135.08034	7.2
135.11687	5.9
137.09608	12.9
139.11147	11.0
145.10120	20.1
147.08127	2.8
147.11700	17.3
149.09613	28.7
151.11197	6.3
155.08563	3.2
157.10162	5.0
159.11734	10.9
161.09657	2.5
161.13300	4.6
163.11150	12.1
167.10696	2.4
169.10147	2.2
171.11676	4.9
173.13235	5.2
177.12775	3.6
179.10606	2.2
183.11652	2.6
187.11230	2.5
189.11197	14.9
191.14406	2.8
197.13286	3.6
203.12755	4.0
217.30229	2.1
223.13287	5.8
239.17790	5.4
257.19067	11.9
275.20050	86.7
293.21085	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03939	1.2
53.09526	0.8
54.81172	0.6
55.01871	7.1
55.05274	0.8
55.05511	9.9
57.03436	1.2
57.07072	12.5
60.67167	0.7
65.03936	1.1
67.05499	14.7
69.03423	1.4
69.07066	23.7
71.04977	2.1
71.08613	1.5
71.58302	0.7
79.05027	0.6
79.05489	15.1
81.03414	5.2
81.07050	21.1
83.04963	4.3
83.08614	4.7
85.02866	1.3
85.06534	0.9
91.05479	10.2
93.07038	14.1
95.04961	26.6
95.08603	10.9
97.06539	3.7
97.10156	2.7
99.04453	1.1
99.08069	1.1
105.07032	9.4
107.04951	7.4
107.08610	9.5
108.05715	1.5
109.02852	1.8
109.06519	5.8
109.10152	4.1
111.04439	5.7
111.08051	2.2
111.11718	0.8
117.07030	4.3
119.08582	6.2
121.06502	8.6
121.10135	5.9
123.08061	3.7
123.11678	1.4
125.02310	1.0
125.05983	1.1
125.09612	3.6
127.07529	0.8
129.05463	1.0
131.08533	5.0
133.06537	0.8
133.10123	5.6
135.04436	1.8
135.08034	7.6
135.11633	3.5
137.09622	1.9
139.11165	2.5
143.08528	1.0
144.74617	0.8
145.06483	1.1
145.10110	4.2
147.08032	1.0
147.11688	3.1
149.09633	5.5
149.13226	0.8
151.11200	4.7
153.05429	4.6
157.10103	1.2
159.11673	2.7
161.13248	1.0
163.03900	1.5
163.11169	4.2
164.11951	1.6
165.12813	0.8
168.56479	0.7
171.11639	1.0
173.13263	2.1
175.07500	0.7
175.11235	0.9
176.86806	0.7
177.09117	0.7
177.12761	3.3
181.04982	6.7
181.12201	1.9
183.11821	0.8
189.11168	1.0
191.10652	7.6
191.14294	2.0
195.10135	3.2
201.12750	1.3
203.12837	1.4
207.13835	1.7
209.11696	16.7
215.18053	0.7
219.10054	2.6
219.13812	1.5
223.13252	1.0
225.14859	1.5
229.19604	0.9
237.11215	27.0
237.14839	9.2
238.11435	0.8
247.20515	1.7
251.19205	0.7
257.18970	2.7
265.17957	1.1
275.20047	23.0
286.82059	0.9
293.21082	100.0
294.13290	0.8
294.21457	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	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03938	8.3
55.01868	6.6
55.05510	47.8
57.03424	7.4
57.07064	7.4
60.61945	2.9
62.94802	3.0
67.05499	76.4
69.03419	7.8
69.07063	36.4
69.29067	32.0
70.06570	3.3
71.04985	6.0
79.05492	99.3
81.03403	8.9
81.07053	75.2
83.04980	13.5
83.08611	27.2
85.06522	3.6
91.05473	49.9
92.36714	3.8
93.07037	100.0
95.04947	27.4
95.08601	61.0
96.27039	3.5
97.06521	9.2
97.10167	12.2
98.20812	6.5
105.07022	33.9
107.04935	6.8
107.08582	22.5
109.06500	9.8
109.10147	26.1
109.61826	3.3
111.08038	15.1
117.07005	10.6
119.08582	38.0
121.06508	3.6
121.10127	65.4
123.08080	10.1
123.11745	7.0
125.09623	12.7
131.08575	11.2
133.10133	23.3
135.08076	5.6
135.11662	11.4
137.09618	16.4
137.13214	3.7
139.11163	3.5
143.08546	4.9
145.10107	13.5
147.11684	17.4
149.09602	8.8
151.11200	3.7
155.10620	8.7
159.11705	12.4
161.13260	14.3
163.11240	4.4
171.11571	4.6
173.11708	6.7
173.13170	5.4
175.09663	4.0
177.12714	6.9
179.14247	6.6
189.11180	10.6
247.20647	3.5
257.19055	10.4
275.20111	52.9
293.21103	49.9
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
51.36087	1.4
53.03942	5.4
55.01877	8.7
55.05267	1.8
55.05510	18.8
57.03418	1.7
65.03949	2.3
66.20058	1.6
67.05505	35.5
69.03423	1.6
69.07069	17.6
71.04993	3.6
71.34058	3.1
77.68622	1.4
79.05493	36.1
80.38597	1.6
81.03412	9.1
81.07055	100.0
82.07451	1.9
83.04970	5.6
83.08617	17.4
91.05483	24.4
93.07042	25.8
95.04979	17.5
95.08607	19.7
97.06529	7.9
97.10185	1.7
99.08109	3.0
105.07030	24.2
107.04955	10.0
107.08588	14.0
109.06511	40.7
109.10135	7.5
111.08058	4.9
117.07003	6.6
119.08591	18.2
121.06498	5.5
121.10128	10.9
123.08071	10.5
123.11716	3.8
123.73324	1.5
129.06982	2.3
131.08583	10.8
133.10133	14.6
135.08075	4.2
135.11655	7.1
137.09598	5.8
143.08566	2.2
145.06421	1.8
145.10150	7.3
147.08008	1.8
147.11661	16.6
149.09613	11.0
149.13240	5.5
151.11208	4.1
155.08543	1.8
157.10172	3.1
159.11670	8.6
161.09546	2.1
161.13237	2.8
163.11168	8.8
165.12730	4.4
169.10133	2.3
171.11731	1.5
173.09660	3.4
173.13268	4.3
175.11160	3.4
175.14828	2.2
177.12732	2.5
183.11630	1.5
187.11247	2.1
189.12793	2.0
193.12277	2.4
205.12433	1.6
215.14348	1.7
221.54495	1.6
229.19548	1.9
235.25557	1.5
239.17932	3.4
247.20572	5.8
257.19049	6.9
275.20059	55.9
293.21121	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	1.6
55.01861	4.3
55.05513	11.6
57.03442	1.2
57.07065	1.5
58.94138	0.9
62.56165	1.2
65.03947	1.3
67.05503	25.1
68.78832	0.9
69.03425	1.5
69.07066	23.1
69.83568	5.6
71.04997	1.9
79.05084	1.3
79.05496	17.2
80.05852	0.9
81.07053	31.6
83.04983	5.9
83.08606	4.2
91.05476	14.2
93.07040	24.6
93.30434	0.9
95.04962	9.6
95.08603	19.2
97.06534	2.9
97.10204	1.2
105.07025	23.2
107.04924	5.5
107.08587	14.3
109.06519	10.4
109.10157	7.7
111.08051	1.2
117.07014	5.8
119.08583	12.1
121.06492	8.6
121.10121	7.7
123.08076	3.9
123.11706	3.5
125.09582	1.5
128.43120	0.9
129.06993	1.6
129.50911	0.9
131.08540	14.2
131.67519	0.9
133.06493	3.8
133.10123	16.9
135.08028	2.3
135.11690	5.3
137.09540	1.1
141.07034	1.8
143.08545	2.8
145.06537	1.2
145.10121	11.0
147.08029	2.3
147.11696	10.4
149.09587	5.0
149.13211	2.7
151.11211	8.1
157.10072	2.4
159.08025	1.1
159.11719	4.6
161.09636	2.5
161.13213	3.2
163.11168	3.6
163.14816	1.3
165.12794	1.1
171.11681	1.2
173.09572	2.2
173.13252	4.7
175.11180	1.2
177.12730	1.9
183.11682	2.4
185.13083	1.1
187.11208	1.4
191.14264	2.8
197.13206	1.8
201.12723	3.1
207.13783	3.0
215.17952	1.6
219.13715	5.5
229.19443	2.3
231.17540	2.3
234.31500	1.0
239.17989	4.0
247.20549	3.5
257.18973	15.3
275.20056	100.0
276.20328	4.2
293.21094	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	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56877	3.6
62.70427	4.7
70.91125	7.6
70.91454	5.1
105.02232	4.4
116.78981	4.1
188.91528	12.8
221.20253	3.6
292.22836	4.0
293.06277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94232	0.5
53.03952	1.5
55.01874	1.0
55.05499	3.7
57.07064	0.7
60.35500	0.6
60.69921	0.6
65.03942	0.7
67.05505	5.2
69.07064	5.9
70.06590	2.8
71.04995	1.1
71.51247	1.0
72.08145	0.9
73.96239	0.6
79.05501	4.3
81.03420	3.6
81.07050	8.9
83.04977	1.3
83.08617	2.4
84.04539	0.7
84.08125	1.5
85.06533	1.5
86.09703	100.0
87.01303	0.6
91.05483	5.3
93.07034	6.9
95.04961	2.9
95.08610	5.2
97.06497	1.4
103.05460	2.8
105.07043	4.2
107.04948	2.0
107.08596	3.6
109.06497	1.7
109.10127	2.3
110.07180	1.0
115.05424	0.8
117.07052	1.8
119.08562	3.1
120.08099	96.3
121.06492	4.9
121.08403	0.7
121.10114	3.2
123.08063	1.6
123.11687	1.0
125.09602	0.7
129.10233	0.8
131.04919	2.0
131.08563	2.4
132.10172	1.1
133.10123	2.1
135.08055	1.7
135.11687	2.3
145.06506	1.4
145.10132	1.7
147.11702	2.3
149.09578	1.7
154.57851	0.6
159.11646	1.5
163.07549	3.3
163.08708	0.7
163.11143	1.4
169.10133	0.9
173.13272	0.9
180.10190	71.8
181.10471	0.8
206.46750	0.6
233.16467	2.0
239.17700	0.6
257.18948	1.6
275.17316	1.0
275.20068	7.1
278.05664	0.8
293.08014	0.9
293.18372	2.3
293.21054	7.8
314.87607	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.44612	1.6
53.03943	9.8
55.01858	9.8
55.05275	2.6
55.05509	34.4
57.07063	4.3
62.37557	1.9
65.03946	1.9
67.05502	37.4
69.03417	2.1
69.07066	20.7
69.91186	6.1
69.91596	5.1
71.04990	2.0
77.80715	2.0
79.05490	51.5
81.03402	13.3
81.07056	38.7
83.04980	4.7
83.08603	17.1
84.60159	2.0
85.06506	2.5
91.05481	34.9
93.07040	28.4
95.04980	11.2
95.08602	18.2
97.06495	7.7
97.10165	21.5
102.82702	2.1
105.07022	37.0
107.04955	12.6
107.08588	100.0
109.06525	9.6
109.10140	8.3
111.08086	4.6
117.07021	11.6
119.08569	21.0
121.06500	4.4
121.10128	8.8
123.08053	5.3
123.11678	2.1
125.09648	14.4
129.06975	3.5
131.08571	13.8
133.10141	20.6
135.08026	4.3
135.11670	7.3
137.09622	2.5
145.10138	12.0
147.11687	15.4
149.09608	21.3
149.13268	3.4
151.11200	3.0
157.10129	3.1
159.11711	9.0
160.52046	2.2
161.13257	6.3
163.11165	7.7
169.10138	2.1
173.13176	3.8
177.09114	2.9
179.14290	3.9
179.53180	2.0
181.12158	2.6
183.11687	3.4
187.11174	2.5
189.11256	11.7
197.13348	3.4
215.11322	2.1
229.19440	3.7
237.11200	2.1
239.17877	4.4
247.20399	2.4
257.18939	10.0
275.20062	86.4
276.20508	3.0
293.21106	48.0
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
53.03932	3.5
55.01647	1.2
55.01870	12.0
55.05507	19.2
57.03439	3.8
57.07082	2.0
63.54272	1.6
67.05500	31.0
69.03398	2.6
69.07068	87.4
70.24791	6.9
71.04974	4.2
74.20070	1.4
79.05492	32.2
80.05789	1.4
81.03423	12.6
81.06609	2.6
81.07054	30.2
83.04986	8.5
83.08608	8.0
83.20332	1.6
85.02866	1.5
85.06538	2.0
91.05478	19.4
93.07038	28.5
95.04963	100.0
95.08601	23.0
97.06519	13.0
97.10184	8.1
98.18293	1.9
105.07031	21.8
107.04948	16.2
107.08604	19.3
109.06518	9.6
109.10139	8.1
111.08071	3.1
117.07024	9.6
119.08573	16.2
121.06475	8.3
121.10148	16.8
123.08049	6.2
123.11694	2.2
125.09583	2.6
129.06964	2.1
131.08553	12.1
133.10114	15.5
135.08032	22.4
135.11691	5.3
137.09616	4.4
139.11208	8.1
143.08549	2.5
145.10112	9.6
147.11646	6.8
149.09622	10.2
149.13220	3.4
151.11153	6.9
157.10158	4.0
159.11671	7.7
161.09619	5.0
161.13275	2.1
163.11198	5.0
167.10707	1.9
171.11703	1.6
173.13272	5.4
175.11212	2.2
177.05449	3.1
177.12723	9.2
183.11604	2.2
187.11255	2.2
187.13159	1.5
201.12762	4.7
203.12732	5.4
207.13768	6.9
219.13792	5.4
219.17522	2.3
225.14810	7.0
229.19516	2.0
233.11708	3.0
237.14828	41.7
239.17941	2.2
247.20587	5.0
256.23331	1.8
257.18985	5.2
275.20053	54.3
276.20425	2.1
293.21082	79.5
294.21298	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	292.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47008	0.5
55.05508	11.6
57.03426	1.4
57.15223	0.6
58.99577	0.9
61.01144	1.4
62.99039	0.6
67.05499	6.9
69.07054	2.5
69.88024	3.2
70.06588	4.1
71.04974	0.8
71.08630	10.7
72.08152	42.7
76.02216	2.6
78.14482	0.6
79.05486	6.1
81.07046	4.3
83.04961	2.7
83.08643	0.6
84.04519	1.5
84.08128	2.4
86.09702	3.3
86.99062	1.5
87.02672	1.2
88.02213	1.1
89.00606	3.1
89.03868	0.7
91.05475	31.8
93.07034	3.4
95.04926	1.0
97.06525	0.9
97.10153	1.3
99.08091	8.6
103.02168	1.6
103.05446	0.9
105.00104	3.4
105.07024	45.8
106.07333	0.7
107.04955	1.2
107.08569	1.6
109.10200	3.3
109.10824	0.7
110.07116	1.0
113.04222	0.8
116.06316	0.7
117.03356	0.8
117.07001	1.8
118.07809	1.3
118.08651	25.6
119.08579	5.1
120.08088	2.1
122.02718	12.3
127.11169	3.5
129.07002	3.1
129.10229	1.0
131.08560	54.4
133.10121	100.0
134.10483	1.3
136.07660	0.7
137.05952	1.0
142.07796	1.6
145.02873	1.7
145.10112	1.1
147.11673	11.3
149.06013	0.8
149.13240	0.8
150.07796	0.6
153.12770	3.0
157.10104	1.2
159.04782	1.0
159.08388	21.7
163.03828	0.8
175.11169	14.9
177.05424	3.6
177.07878	2.0
178.12268	3.8
185.09944	46.6
186.10135	0.7
203.11076	2.3
224.12813	2.5
228.14117	1.0
234.52548	0.6
246.18535	4.9
248.16455	7.2
274.10794	2.7
274.14719	4.8
292.15900	1.3
292.19040	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	292.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
55.05493	3.6
56.05029	6.4
60.04230	2.1
60.04526	39.7
61.01149	2.6
69.03466	1.5
69.07063	2.2
70.02951	4.2
70.06594	16.1
71.04990	1.5
71.54160	1.8
72.08149	9.9
74.06077	2.9
81.03415	1.6
81.07069	1.7
84.04505	5.8
84.08143	29.5
85.04031	5.7
86.09706	14.8
87.05584	2.0
88.03980	2.8
91.05472	2.7
103.05508	1.9
104.05291	2.9
109.06559	1.8
110.07172	8.2
113.07137	2.8
115.05034	9.3
117.03397	3.1
118.06537	13.6
119.04936	2.4
120.08092	3.5
123.04446	8.7
124.04751	4.1
129.10239	11.0
130.06538	10.1
132.08093	16.8
136.07593	3.6
137.06032	2.2
139.03900	7.0
140.04233	8.9
141.09128	2.0
142.04906	2.4
142.06551	3.3
144.08095	17.1
144.10216	3.0
145.02864	6.5
146.04848	3.0
146.06006	58.8
147.04448	4.3
149.06015	1.9
156.07755	2.7
158.08450	2.6
159.09210	10.1
160.12041	1.7
161.12872	3.2
164.07034	1.7
170.06017	4.8
177.05516	10.3
187.08762	3.3
188.07069	100.0
189.07394	1.7
196.53026	1.8
205.09723	56.5
232.06123	2.6
232.09158	1.9
245.09193	2.5
246.12439	9.9
274.11719	3.6
292.08630	2.9
292.12839	15.2
292.16324	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	292.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01853	1.0
55.05508	12.2
57.03423	1.8
57.07066	0.8
58.99573	1.8
60.31437	0.5
61.01156	3.4
62.99068	0.8
65.03934	0.7
66.92454	0.6
67.05504	6.0
69.07068	2.8
70.06577	3.4
71.04979	1.0
71.08627	15.9
71.26838	1.3
72.08153	44.4
74.00648	1.0
75.72688	0.5
76.02235	4.0
77.00617	0.8
77.35282	0.5
79.05493	7.1
81.03404	0.6
81.07059	4.7
82.92433	0.5
83.04981	3.9
83.08611	0.8
84.04494	1.0
84.08118	2.0
84.82164	0.6
86.09698	3.3
86.99057	1.6
87.02674	1.6
88.02223	1.1
89.00610	4.0
91.05479	37.6
92.05839	0.7
93.07045	4.6
95.04950	1.9
97.10173	2.3
98.06020	0.7
99.08092	12.5
103.02161	1.5
103.05457	1.3
105.00101	3.8
105.07027	51.9
107.04968	0.9
107.08586	2.1
109.10155	4.0
109.95257	0.6
110.07139	0.6
111.73449	0.5
115.02160	0.6
116.06242	1.4
116.07059	0.7
117.03372	0.8
117.07020	1.3
118.08649	29.1
119.08555	4.6
120.08099	1.2
122.02724	15.7
125.08378	0.5
127.11198	3.9
129.07008	3.8
129.10202	1.0
131.08560	56.5
131.40610	0.5
132.08989	0.9
133.10126	100.0
134.10410	1.3
135.04459	0.5
137.05974	0.9
142.07764	1.3
145.02853	2.1
145.10088	0.6
147.11681	11.4
149.05891	0.9
149.13275	0.7
153.12724	4.4
157.10115	1.4
159.04782	1.3
159.08391	28.1
175.11171	16.1
176.07359	0.8
177.05467	4.2
177.07875	1.7
178.12262	3.2
183.12122	0.5
185.09950	60.8
186.10260	1.4
203.11063	2.4
224.12732	2.6
228.14142	1.3
246.18549	4.9
248.13768	0.8
248.16429	7.3
274.10840	2.5
274.14694	7.4
292.19049	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	292.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82829	0.3
55.01867	0.4
55.05502	1.1
57.04559	2.8
57.07045	0.4
59.01399	0.3
60.06192	0.3
67.05495	0.8
69.00906	1.2
69.03414	0.3
70.06587	0.7
71.15580	1.0
76.04006	0.5
76.98901	0.4
79.05472	1.2
80.05791	0.3
81.07056	1.8
82.07368	0.7
83.02419	0.4
83.08598	0.6
84.08124	0.5
85.14034	0.3
86.09654	0.4
88.07607	0.4
90.03438	0.3
91.05473	1.2
92.05804	0.4
93.07038	0.8
95.04941	0.8
95.08576	0.9
96.08918	0.4
105.04543	0.3
105.07009	0.9
107.08578	0.7
117.07013	0.5
119.08562	0.8
121.06518	0.5
122.07001	0.4
131.08492	0.5
132.05548	2.3
133.06378	0.6
138.26260	0.4
146.07068	0.6
147.05467	0.6
147.08040	0.5
148.08656	1.4
149.05907	0.5
157.05116	0.5
158.03467	0.8
159.04279	2.7
160.05048	100.0
161.05392	1.5
173.08302	0.4
174.06628	3.4
183.07640	0.3
184.06195	5.2
185.04568	1.6
192.07661	29.6
193.08040	0.5
199.06079	0.9
204.04109	0.6
216.08829	2.6
228.05148	12.3
228.07410	0.8
229.23584	0.9
230.23863	0.5
260.07776	58.3
261.08011	0.7
269.10489	0.6
274.18790	1.1
291.27087	0.7
292.06271	0.5
292.09662	0.6
292.19904	2.0
292.22717	0.6
292.27182	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	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03931	1.8
55.01865	2.8
55.05510	32.5
57.03416	1.3
57.06846	1.1
57.07072	13.8
59.04995	2.0
60.50106	1.2
65.03924	2.3
67.05503	36.6
69.03419	3.1
69.07066	81.3
69.99190	4.6
70.06579	1.2
71.04985	4.0
71.08611	4.3
73.06522	1.4
75.20406	1.0
76.10256	1.0
77.03862	1.0
79.05070	1.7
79.05487	19.6
81.07052	100.0
82.07389	1.0
83.04962	3.3
83.08615	30.5
83.85137	1.0
85.06536	9.4
85.10155	2.7
91.05482	9.0
93.07040	38.4
95.04943	3.9
95.08603	89.1
97.06524	12.5
97.10163	11.6
99.08061	3.7
105.07024	16.4
107.08587	43.6
109.06512	4.3
109.10150	56.2
111.08086	13.8
111.11718	10.0
117.06973	1.4
119.08578	14.1
121.10143	27.6
123.08020	2.4
123.11702	42.7
125.09595	3.9
125.13224	2.7
129.07048	1.2
131.08484	1.2
133.10146	8.1
135.11682	28.4
137.09589	2.1
137.13251	17.2
139.11172	5.1
147.04411	1.0
147.11685	12.8
149.13249	23.3
151.11169	1.9
151.14851	2.5
153.12752	12.0
161.13272	8.2
163.14803	13.0
165.12744	5.7
165.16368	1.5
167.14227	2.6
175.14766	3.5
177.16380	8.7
179.14267	1.5
179.17984	2.7
181.15862	1.8
189.16403	2.9
191.17950	4.7
203.17987	3.8
205.19502	2.3
209.18987	1.7
215.06885	1.1
217.19514	6.5
233.22429	1.4
235.09839	1.1
235.20541	1.4
247.24146	2.3
271.63449	1.2
273.25705	12.3
291.26816	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03931	4.9
53.53619	1.6
55.05508	17.9
57.07050	2.5
57.35044	1.7
67.05503	39.3
69.07060	15.5
69.86057	1.5
70.62881	6.5
73.06541	2.9
79.05489	73.6
81.07053	47.3
83.08597	7.1
85.06523	2.8
91.05470	28.7
93.07041	100.0
94.07361	2.2
95.04955	7.9
95.08607	33.9
95.56244	1.7
97.06502	3.6
97.10130	2.8
105.07039	20.0
107.08588	56.5
107.09315	3.8
109.06550	2.1
109.10159	14.1
117.06995	2.4
119.08559	13.5
121.10136	52.7
123.11704	3.3
131.08528	5.9
133.10123	14.1
135.11691	53.8
143.08537	3.3
145.10100	5.7
147.11685	9.7
149.09570	4.2
149.13263	36.7
159.11662	5.2
161.13243	7.1
163.11201	4.0
163.14853	9.9
171.11682	4.8
175.14795	5.6
185.13254	4.8
189.12729	2.4
191.14247	2.0
195.13850	2.5
199.14772	1.9
213.16441	2.7
217.19579	2.9
235.16850	3.1
241.19450	4.9
249.18562	3.3
259.20496	7.0
275.18448	1.8
291.23148	61.9
291.30750	1.7
292.23517	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03935	3.1
55.01860	4.9
55.05510	29.8
56.96536	1.3
57.03421	5.2
57.07074	12.3
59.04985	1.3
59.62960	1.1
59.76426	1.1
64.69600	1.1
65.03932	1.6
67.05504	42.6
69.03420	3.4
69.07067	45.7
69.29267	3.6
69.29678	10.0
70.06580	2.1
71.05005	5.5
71.08604	3.3
79.05492	26.5
81.03396	2.7
81.07055	88.9
83.04971	2.9
83.08160	1.9
83.08619	29.8
84.04487	2.1
84.08141	1.4
85.06531	5.3
85.10204	1.6
91.05476	20.2
92.05741	1.4
93.07041	41.8
95.04950	10.1
95.08604	100.0
97.06525	7.6
97.10162	13.7
99.08106	1.2
105.07024	22.0
107.04949	3.8
107.08591	38.6
109.06516	22.7
109.10148	48.7
111.08088	7.7
111.11691	5.0
117.07009	4.9
119.04973	1.5
119.08589	16.4
121.06503	2.5
121.10141	26.6
123.08084	3.1
123.11700	27.5
125.09599	4.1
125.13203	1.9
127.11150	1.8
129.06969	3.8
131.08572	6.5
133.06502	1.9
133.10143	10.8
135.08043	12.9
135.11693	18.7
137.06071	1.9
137.09636	2.0
137.13248	10.6
139.03847	1.2
139.11157	4.9
143.08589	2.8
145.10101	4.8
147.08012	3.7
147.11682	9.2
149.09602	5.4
149.13251	19.9
151.07526	4.9
151.11113	2.2
151.14848	2.6
153.12782	2.9
157.10072	2.9
159.08099	1.4
159.11662	3.8
161.09590	4.0
161.13266	10.8
163.11171	2.5
163.14821	15.1
165.12665	1.5
165.16357	3.6
171.11679	1.3
175.11165	3.0
175.14830	3.4
177.16379	10.5
179.05251	1.1
181.15800	1.5
189.12755	2.7
189.16341	3.4
191.17947	4.6
193.12225	2.1
199.14862	1.4
203.17946	4.9
207.13870	1.7
213.12456	1.2
213.16402	1.3
217.15886	2.9
217.19525	6.2
229.23456	1.6
237.16272	1.6
245.18927	1.7
273.18454	11.9
273.25778	14.2
291.19586	22.2
291.26797	45.6
292.19815	1.7
292.27057	2.4
311.75327	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	291.1948
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03923	4.9
55.01872	11.4
55.05508	35.3
57.03422	3.8
57.07072	3.1
59.05001	2.7
65.03917	2.5
67.05505	31.8
69.03424	13.3
69.07061	15.7
69.32629	16.6
69.33038	4.7
71.04984	6.8
74.53075	1.9
79.05492	52.9
81.03413	6.6
81.07052	49.9
83.04972	26.4
83.08620	13.3
85.02893	2.5
88.41265	2.0
91.05474	50.2
93.07037	26.8
95.04980	20.1
95.08597	25.4
97.06497	5.3
97.10163	19.7
102.82204	1.9
103.05448	4.9
105.03347	3.7
105.07038	27.2
107.04941	26.8
107.08585	21.9
109.06508	8.6
109.10143	13.7
109.19941	2.2
111.04468	3.0
111.08080	7.3
115.05456	3.9
117.07010	28.0
119.04940	2.6
119.08575	50.3
121.06508	17.1
121.10107	11.2
123.08055	10.3
123.11772	2.2
125.09592	15.2
127.76826	2.1
128.06165	2.2
129.06981	8.7
131.08571	24.7
133.06477	6.7
133.10107	11.0
135.08047	49.4
135.11679	3.8
137.09596	7.6
141.07005	2.7
143.08539	11.2
145.06496	2.8
145.10121	26.2
147.08040	34.6
147.11610	4.3
149.09615	5.8
151.07527	16.1
153.09125	2.5
157.10139	10.0
159.08112	3.5
159.11604	5.0
161.09602	7.9
163.07379	2.7
163.11218	6.8
171.11722	6.5
173.09644	2.8
173.13235	3.2
175.11224	6.8
185.13271	5.0
187.11140	3.0
189.11227	7.8
189.12686	4.8
191.05394	2.2
193.12193	3.2
195.11739	2.2
207.13730	11.7
237.16373	3.2
245.19096	3.7
249.14876	7.4
255.17351	11.6
273.18463	64.1
273.21301	4.3
291.19537	100.0
291.26767	5.7
292.20081	2.2
307.31613	2.3
314.58496	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03939	5.7
55.01874	1.7
55.05276	1.5
55.05510	18.3
57.07057	2.1
59.04995	1.4
59.77656	1.0
63.05249	0.9
65.03931	1.3
67.05502	38.7
69.03431	1.3
69.07056	15.2
70.69929	2.2
70.70274	1.2
77.03915	1.5
79.05488	70.6
81.07055	44.8
83.08609	10.2
85.06537	3.6
91.05467	24.7
93.07039	100.0
95.04959	7.2
95.08603	35.3
97.06528	1.9
97.10172	4.9
98.43378	1.1
101.60608	0.9
104.63249	1.0
105.04503	2.3
105.07027	15.8
107.08588	60.6
109.06511	2.0
109.10149	13.9
115.07556	1.5
117.06977	3.2
119.08570	14.9
121.10138	45.2
123.08014	3.3
123.11695	4.4
128.05925	1.0
128.83110	0.9
129.06960	1.8
131.08559	6.8
133.10126	13.6
135.08067	1.9
135.11687	59.9
136.11890	1.3
137.09566	2.4
139.11127	1.5
143.08592	1.9
145.10112	6.5
147.11684	10.4
149.09592	3.8
149.13245	39.8
151.11182	1.7
157.10103	2.5
159.11678	4.5
161.09648	1.7
161.13263	8.5
163.11159	4.0
163.14818	11.9
164.86032	1.1
171.11697	4.7
173.13271	2.7
175.11128	1.5
175.14796	5.7
177.12732	4.6
185.13213	4.1
189.12766	1.7
199.14867	2.0
203.10756	1.0
203.14433	2.1
208.27649	1.1
209.15366	2.5
213.16356	2.5
217.19473	1.4
231.17415	1.5
235.16791	1.8
237.98625	1.0
241.19467	7.1
249.18509	3.0
259.20590	9.5
291.23172	71.7
292.23599	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	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03926	0.8
55.01869	2.9
55.05510	8.6
57.03421	0.6
57.07061	0.3
61.19492	0.3
65.03915	0.5
67.05504	5.8
69.03410	1.4
69.07076	3.1
69.32139	2.3
69.32569	0.9
70.70103	0.3
71.04971	0.8
79.05492	7.7
81.03404	0.9
81.07056	7.5
81.66434	0.3
83.04962	1.0
83.08619	4.3
85.06544	0.6
86.09682	1.0
91.05476	7.1
92.06256	0.3
93.06500	0.5
93.07045	6.1
94.04183	0.3
95.04960	3.3
95.08607	2.6
97.06526	0.6
97.10162	4.5
104.10725	0.8
105.07028	6.5
107.04945	2.6
107.08595	3.0
108.05742	0.4
109.06479	1.0
109.10155	0.8
111.04473	0.3
111.05485	0.3
111.08060	0.6
115.05447	0.6
116.06222	0.4
117.07022	3.1
119.04919	1.6
119.08583	6.0
120.05737	0.4
121.06504	2.2
121.10182	1.7
123.08047	0.9
123.11731	0.3
125.00021	0.4
125.09609	1.8
128.06267	0.4
129.07005	1.4
130.07770	0.8
130.54132	0.3
131.08566	2.9
133.06497	3.6
133.10107	2.1
134.07310	0.7
135.08052	1.7
135.11696	0.6
137.09607	0.4
143.08595	1.4
145.10141	3.0
147.08043	4.4
147.11635	0.5
149.09599	1.3
149.54846	0.6
153.09041	0.3
157.10112	1.5
158.55338	0.6
159.11757	0.8
161.09604	1.1
162.10388	1.6
163.11151	0.9
165.09082	0.4
169.10072	0.4
171.11708	0.6
173.09615	0.4
175.11162	1.3
184.07368	0.5
185.13210	0.5
189.11252	0.7
189.12865	0.4
217.12186	0.3
223.13284	1.1
240.09837	0.4
245.18903	0.4
249.14905	1.9
249.18549	0.4
255.17513	0.7
262.15634	0.4
273.18466	3.5
290.89609	0.3
291.19531	100.0
292.19836	2.1
301.20178	0.5
303.83118	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	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01866	1.7
55.05515	7.8
57.03432	0.9
57.07068	3.4
59.04972	2.4
67.05502	6.8
69.03429	2.3
69.07057	3.4
70.80984	3.7
71.04982	3.9
77.03950	1.3
78.85042	1.0
79.05491	10.1
81.07053	10.4
81.69992	1.0
83.04973	3.6
83.08616	10.3
85.02893	1.5
85.06523	3.2
85.46304	1.0
91.05477	7.2
93.07043	16.1
95.04967	5.8
95.08597	16.2
97.06505	5.7
105.07027	10.5
107.04945	13.9
107.08591	11.7
109.06503	7.2
109.10183	5.4
111.08080	38.2
113.09652	1.9
117.06996	2.8
119.08585	9.3
121.06506	2.6
121.10096	6.3
123.04489	1.2
123.08063	34.8
125.09624	2.3
128.06248	1.4
129.06972	1.5
131.08601	5.9
133.06476	3.6
133.10132	9.2
135.08029	7.2
135.11682	3.6
137.09599	2.7
142.07759	1.2
143.08533	2.5
145.10109	5.0
147.08023	4.0
147.11685	5.8
149.09622	9.3
151.07539	100.0
153.09052	1.6
155.10660	2.4
156.09366	1.5
157.10100	4.1
159.08115	1.9
161.09624	4.9
163.11162	3.0
171.11667	3.1
173.13277	6.9
174.10396	2.5
175.11208	4.9
177.09113	2.7
179.10690	3.9
181.12289	1.4
189.12733	27.2
191.10614	1.7
191.14308	12.3
192.11494	2.5
197.11722	12.9
197.13293	1.5
207.13792	64.1
211.13272	2.6
213.16446	2.1
215.14397	5.0
217.12207	2.6
217.15741	1.3
231.17442	2.4
233.15356	34.5
235.13240	1.7
249.18358	1.9
255.17480	1.5
273.18384	5.8
291.19522	53.7
291.26736	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.01580	1.9
51.14576	1.6
53.03937	6.8
55.01870	11.8
55.05238	2.3
55.05506	37.0
57.03419	3.1
57.07055	2.5
58.21531	1.8
59.04988	3.1
65.03931	2.4
67.05502	38.0
69.03422	4.8
69.07056	11.4
70.73752	4.3
71.04970	4.0
79.05487	51.7
80.94006	1.7
81.03399	7.7
81.07050	59.2
83.04978	4.5
83.08609	13.8
85.06540	2.0
91.05472	46.1
91.38233	2.0
93.07040	35.1
95.04962	26.0
95.08597	37.9
97.06506	4.4
97.10156	9.9
103.05441	4.1
105.03394	2.8
105.07030	33.3
107.04965	19.5
107.08583	20.2
109.06501	11.2
109.10143	7.4
111.08102	2.7
115.05463	4.0
117.07011	24.6
119.04913	3.9
119.08572	59.8
121.06489	23.8
121.10162	10.4
123.08057	5.3
125.09647	9.1
128.06203	3.6
129.06992	9.5
131.08575	21.3
133.06490	7.3
133.10104	7.4
133.10997	1.8
133.74873	1.8
135.08020	11.9
135.11697	3.8
137.09602	6.7
143.08540	7.8
145.10103	25.6
147.08040	24.3
147.11656	3.5
149.08484	1.9
149.09589	12.8
153.09006	2.3
157.06480	2.3
157.10092	11.2
159.08054	4.1
159.11639	8.5
161.09657	11.0
163.11201	8.4
165.09103	2.0
169.10114	2.4
171.11708	6.1
173.09671	2.8
175.11169	5.3
178.07739	1.8
185.13280	4.3
189.11241	4.9
193.12292	3.4
195.11713	2.2
199.11206	3.1
223.13376	4.1
227.17917	3.8
228.06508	1.7
237.16406	2.3
245.19057	5.4
249.14883	13.3
251.34088	2.1
255.17470	7.3
273.18484	40.7
291.19525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	2.7
55.01872	10.6
55.05242	1.9
55.05506	30.6
57.03431	3.7
57.07053	5.4
59.04995	3.5
65.03929	2.3
67.05505	23.8
69.03418	5.4
69.07067	19.2
71.04982	4.1
71.31311	3.4
79.05488	37.8
81.07045	51.1
83.04979	4.4
83.08625	15.0
85.06522	4.4
91.05474	33.7
93.07043	43.4
95.04964	15.3
95.08598	37.5
97.06522	7.4
97.10155	10.7
98.11131	2.0
103.05433	2.3
105.07018	31.6
107.04933	12.0
107.08570	20.2
109.06505	9.9
109.10143	13.6
111.04396	2.4
111.08072	56.7
117.07009	22.7
119.04973	2.7
119.08575	43.5
121.06490	13.9
121.10130	15.4
123.08056	35.9
123.11678	2.9
125.09593	7.7
128.06223	4.0
129.06989	8.4
131.08571	21.9
133.06490	7.6
133.10152	13.2
135.08020	15.3
135.11696	6.9
142.07732	3.1
143.08577	11.6
145.10094	29.8
147.08043	16.6
147.11702	7.4
149.09608	7.8
149.13220	3.2
151.07535	100.0
156.09305	2.5
157.10097	11.6
159.08070	6.0
159.11662	6.4
161.09630	9.9
161.13289	2.8
163.11188	7.1
169.10132	3.2
171.11682	6.5
173.09547	2.2
173.13351	3.0
175.11191	4.9
177.09140	3.6
179.10753	5.3
185.13269	3.2
189.11230	5.2
189.12753	26.2
191.10652	2.7
192.11430	4.0
197.11699	13.7
207.13786	63.8
213.12666	2.9
217.12233	6.2
227.18044	3.7
231.13765	2.0
235.13443	2.3
237.16353	3.8
249.14783	10.0
255.17323	9.5
273.18469	40.9
291.19534	96.9
291.26794	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	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01873	0.9
55.05505	4.4
57.03416	1.1
57.07054	2.5
58.24677	0.6
59.04995	3.1
60.95291	0.7
64.55235	0.7
67.05502	4.7
69.03442	1.3
69.07064	2.2
70.96550	1.9
71.04984	2.3
79.05480	4.4
81.07060	7.1
83.04972	2.0
83.08636	3.5
85.06540	1.4
91.05473	4.7
93.07037	9.1
95.04973	2.8
95.08604	12.4
97.06518	2.1
105.07025	9.1
107.04957	3.8
107.08582	6.3
109.06508	6.3
109.10147	3.3
111.04419	1.1
111.08070	24.0
113.06021	0.7
117.07007	1.8
119.08583	7.6
121.06497	1.9
121.10122	6.0
122.07328	1.7
123.08058	31.8
123.11694	0.9
125.09591	1.2
131.08554	4.8
133.06471	2.9
133.10107	6.7
135.08049	4.6
135.11652	3.8
137.09604	2.9
139.07501	1.0
141.05450	0.8
142.07741	1.1
143.08546	2.2
145.10107	12.8
147.08040	2.6
147.11662	4.9
149.09584	4.9
151.07532	100.0
152.07837	0.9
155.10728	0.8
156.09343	1.2
157.10100	3.0
159.08072	2.4
159.11670	3.1
161.09630	3.0
161.13226	1.2
163.11176	3.6
165.09145	1.1
171.11684	3.2
173.09647	1.4
173.13289	3.4
174.10358	1.5
175.11195	4.1
177.09134	2.6
179.10646	5.5
182.10918	1.1
185.13168	1.1
187.11182	3.6
187.14821	1.6
189.12737	27.8
191.14311	3.8
192.11383	4.3
195.11580	0.9
197.11710	13.2
197.13313	1.9
203.14261	1.8
205.12274	0.8
207.13789	67.8
211.13177	0.9
213.16446	1.5
215.14435	3.3
217.12225	3.5
227.18031	0.8
231.17432	1.5
233.15363	10.5
235.13266	1.4
255.17416	1.9
273.18472	6.4
291.19525	39.0
291.26950	1.5
292.20102	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	291.1952
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03939	2.7
55.01873	12.0
55.05270	1.7
55.05508	20.0
57.03432	22.9
57.07068	2.5
58.59559	1.2
64.97776	1.2
65.03941	2.3
67.05501	31.8
69.03416	2.5
69.07063	9.9
69.95134	7.2
71.04966	4.2
75.23109	1.1
79.05489	36.7
81.03416	2.1
81.06596	1.8
81.07053	30.2
83.04956	3.7
83.08607	7.5
84.08126	1.3
85.06532	8.7
91.05477	33.8
93.06495	1.9
93.07044	30.8
95.04965	23.5
95.08604	17.9
97.06501	4.0
97.10152	3.4
103.05473	1.5
105.04515	1.8
105.07027	25.4
107.04962	10.6
107.08586	23.7
109.06514	100.0
109.10149	6.8
110.20729	1.2
111.08074	14.2
113.06005	3.0
115.05425	2.2
117.07021	15.1
119.04922	1.7
119.08574	14.0
121.06494	7.6
121.10139	11.0
123.08062	17.4
123.11667	2.4
128.06157	1.7
129.06996	8.3
131.08559	22.9
133.06487	5.6
133.10110	12.5
135.08051	52.7
135.11650	7.3
137.09627	4.0
141.06952	1.4
142.07773	2.1
143.08543	8.9
143.75293	1.4
145.06531	1.8
145.10115	15.0
147.08037	9.2
147.11691	5.0
149.09607	13.3
149.13278	3.7
151.07544	33.6
152.70766	1.1
155.08539	2.2
156.09268	1.3
157.10104	11.8
159.08043	4.1
159.11670	7.3
161.09618	12.9
161.13231	2.9
163.11130	6.7
163.14981	1.4
165.09081	2.6
169.10144	2.5
171.11642	5.8
173.09595	2.0
173.13249	3.1
175.11180	4.6
175.14780	1.5
177.12688	1.5
179.10577	2.5
183.11725	2.5
185.13181	2.7
187.11133	1.2
189.12680	10.5
189.16261	1.8
195.11703	2.1
195.13812	1.3
197.11606	3.1
199.11224	1.2
199.14783	5.4
201.12784	2.5
203.17934	1.2
207.13818	19.0
213.16289	1.3
217.15872	21.7
217.19109	1.4
219.13869	2.6
227.17888	1.6
235.16888	1.8
237.16367	3.4
245.18991	3.0
255.17465	6.6
273.15466	2.4
273.18460	38.1
291.19522	73.2
291.26678	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03935	4.5
55.01863	12.7
55.05508	28.2
57.03428	4.8
57.07060	3.8
58.07425	1.1
65.03938	2.1
67.05502	35.5
69.03419	5.2
69.07059	20.5
69.49211	8.0
70.06589	5.8
71.04983	3.2
71.06918	2.1
79.05489	48.2
81.03428	7.5
81.07050	69.5
83.04959	7.1
83.08619	11.1
85.02856	1.4
85.06530	2.8
88.07623	7.8
89.07968	1.5
91.05476	31.9
93.07037	27.1
95.04964	26.0
95.08599	23.8
97.06519	6.2
97.10162	12.1
98.98513	1.1
99.04460	1.5
99.08096	1.3
102.09166	4.4
103.05501	1.2
105.03391	1.5
105.04504	2.0
105.07019	26.0
107.04949	15.7
107.08585	21.0
109.06519	13.3
109.10144	9.1
111.04454	3.2
111.08062	5.4
115.05482	2.5
116.06229	1.4
117.06998	19.4
119.04910	3.5
119.08578	36.0
121.06500	16.1
121.10143	11.5
123.04392	1.6
123.08057	20.2
123.08952	1.2
123.11669	1.6
125.09626	11.2
128.06184	2.1
129.07007	9.8
130.07771	1.9
131.08562	17.0
133.06505	6.0
133.10112	9.3
135.08015	12.8
135.11668	4.3
137.09607	5.3
139.07541	1.3
142.07771	1.7
143.08533	7.7
145.10120	19.1
147.08046	18.9
147.09196	0.8
147.11705	5.2
149.09604	12.0
149.13260	1.3
151.07584	3.4
151.11131	1.5
151.51649	1.1
153.09114	4.5
153.12657	1.4
157.10114	7.2
159.08043	3.7
159.10522	1.4
159.11646	5.8
161.09627	9.4
161.13251	2.4
162.05431	1.1
163.11183	14.5
165.09090	5.8
169.10147	1.5
171.11702	3.8
173.09616	1.4
173.13232	2.7
175.11195	3.2
177.09186	1.1
177.12775	1.9
179.10655	3.0
181.12320	1.2
185.09578	1.4
185.13234	3.2
187.11174	2.1
189.11220	5.6
189.12692	2.4
193.12233	4.5
203.14282	2.2
207.13855	3.4
213.12663	1.4
217.15883	2.5
223.13309	4.7
225.58939	1.2
227.17903	2.6
228.23225	2.3
229.23518	16.4
237.16476	1.9
245.18982	3.0
249.14807	9.9
249.18681	1.5
255.17459	5.4
263.20007	1.2
273.18466	38.2
273.25867	1.8
291.19540	100.0
291.27133	44.2
292.19809	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	291.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27958	0.4
55.05497	0.6
55.50515	0.4
56.05014	0.7
56.80380	0.4
61.01146	14.8
67.05488	0.8
68.05024	0.5
69.03424	0.5
69.07057	0.4
70.06599	2.3
70.74320	1.4
72.08160	1.2
79.05489	0.9
81.07049	0.7
84.04504	2.2
84.08139	85.5
85.08470	0.9
86.09708	2.7
91.05480	1.8
95.04965	0.4
95.08592	0.7
110.07161	1.1
111.04327	0.4
119.04933	0.8
120.08115	1.1
121.06529	0.4
123.04435	2.0
123.08021	0.7
129.10234	0.8
132.08420	100.0
133.08746	0.6
137.05960	3.2
139.03894	1.9
145.02863	0.9
147.04379	1.5
169.13345	0.4
177.05493	2.3
198.11194	0.7
204.10184	0.6
206.84807	0.5
215.13925	1.4
243.16977	0.7
246.11363	0.8
273.12271	2.9
274.10724	3.3
291.13400	2.8
291.17313	17.5
291.20599	1.0
293.95157	0.4
297.50549	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	291.0861
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03939	0.4
55.01867	1.4
55.05483	0.3
65.03938	1.0
67.05501	1.6
68.99787	1.7
69.03420	0.5
70.06561	0.5
76.11003	0.2
77.03928	0.4
81.03380	0.4
83.04980	1.6
84.04533	0.3
84.08128	0.7
85.02887	0.4
86.09718	0.4
86.32522	0.2
91.05459	1.7
93.03397	1.3
95.04953	2.8
97.02891	0.5
99.04408	0.3
105.03395	0.7
105.04531	0.3
105.07038	0.4
107.04972	0.6
111.00734	0.2
111.03831	0.3
111.04456	3.2
115.05447	1.6
119.04946	5.9
120.08095	0.4
121.02814	0.4
123.04424	66.4
124.04754	0.8
127.03909	1.4
131.04915	0.4
133.06471	1.1
135.04420	0.7
137.02359	0.7
137.05992	1.0
139.03897	100.0
140.04276	1.3
143.04907	2.6
145.02863	0.3
147.04407	21.7
149.05951	0.6
151.03912	2.3
151.07509	0.4
153.04343	0.3
153.05464	1.0
159.04323	0.3
161.05969	8.2
163.03894	1.8
165.05472	13.4
169.04999	1.7
177.05499	1.4
179.07045	3.0
181.04932	0.7
189.05486	1.8
203.07141	0.5
205.08682	0.4
207.04582	0.5
207.06514	7.2
229.97459	0.3
231.06470	0.3
249.07576	1.4
273.07532	1.5
291.08618	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	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.88430	0.6
52.35128	0.5
53.03923	0.5
55.01862	1.9
57.00026	0.6
65.03927	1.7
67.05495	2.2
68.99793	1.8
70.06579	1.8
70.95824	0.9
70.96149	0.7
71.04987	0.5
72.08139	0.8
83.04984	1.4
84.08127	1.4
85.74895	0.6
86.09720	1.3
90.71417	0.6
91.05480	2.2
93.03411	1.2
95.04975	3.1
97.02877	0.7
107.04951	0.8
111.04449	2.7
115.05452	1.4
119.04955	7.6
120.08160	0.6
123.04428	68.1
124.04774	0.9
127.03932	1.8
132.01170	1.0
133.06546	0.9
135.04391	0.7
137.02393	1.1
137.05977	1.0
139.03902	100.0
140.04271	1.4
143.04927	2.4
147.04408	23.8
151.03917	2.5
159.04396	0.6
161.05981	8.9
163.03882	2.5
165.04167	1.2
165.05482	13.1
169.05031	0.8
177.05484	1.8
179.07002	3.2
181.04976	1.2
189.05469	2.1
201.76566	0.6
203.09300	1.7
207.06499	6.2
227.09482	0.6
249.07622	1.1
273.07489	1.4
288.58176	0.6
291.08493	4.7
306.88974	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	291.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
53.76185	1.2
55.01887	1.9
55.05507	14.8
57.03442	1.8
57.07068	3.0
58.40559	1.1
59.04994	1.8
65.03928	1.5
67.05506	47.1
68.99801	1.7
69.03423	1.8
69.07056	8.9
69.71318	8.2
70.06584	3.2
71.05000	6.4
72.08163	1.8
79.05489	9.4
80.23009	1.1
81.03414	1.6
81.07053	100.0
83.04973	3.5
83.08584	3.0
84.04483	2.6
84.08167	2.0
85.06540	10.0
86.09721	1.8
87.00824	18.3
91.05479	9.0
93.07030	8.4
95.04970	2.8
95.08585	6.7
95.55886	1.2
97.10172	2.6
98.20817	1.4
105.01884	4.8
105.06384	1.6
105.07031	11.4
107.04929	1.3
107.08614	6.5
109.00298	1.3
109.06516	4.8
109.10147	9.6
120.08060	1.4
121.10138	1.9
121.43633	1.1
123.11701	61.9
128.14342	2.2
131.08582	1.4
133.10130	16.8
137.05907	1.4
141.12741	26.0
147.04395	2.0
149.09526	1.4
151.11186	31.2
159.13831	4.8
169.12242	5.1
175.79375	1.3
187.13312	9.7
209.11835	1.5
212.28540	1.5
214.52493	1.3
227.12756	2.5
235.04153	1.3
255.11980	1.6
273.13153	1.5
274.11008	1.4
291.19498	1.6
291.26758	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	290.9277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86895	0.7
65.52522	0.6
67.18320	0.6
71.49766	1.4
78.95634	2.9
94.92447	0.7
94.93008	11.3
96.92221	0.8
96.92808	0.7
102.30299	0.5
112.89598	13.5
114.89307	2.8
116.89114	1.2
129.50529	0.6
186.91695	100.0
190.91148	1.4
200.93269	3.2
202.94798	0.7
205.20140	0.7
212.85197	1.0
214.84998	2.9
216.84892	1.1
216.94810	5.4
228.92743	2.2
230.90643	2.8
232.92238	14.1
272.91794	0.7
290.87845	1.0
290.92731	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	291.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
56.96577	3.3
58.99868	3.2
70.06585	10.6
70.55003	2.5
70.55322	5.6
77.00896	2.5
84.04501	2.6
84.08145	3.0
85.01410	17.8
103.02441	100.0
107.39140	2.1
113.00837	12.8
116.07098	3.9
119.02007	2.7
121.03479	92.5
126.03979	2.4
129.00337	4.5
129.03995	22.1
131.01901	80.5
133.03488	2.6
137.02974	2.3
140.05334	1.9
141.06596	4.7
142.05002	2.8
144.05049	4.4
147.01373	43.7
147.03166	2.6
147.05019	26.2
149.02966	31.6
150.03091	2.1
154.03520	2.4
155.01955	2.6
157.03462	62.2
159.04970	2.5
161.01292	2.8
165.02457	5.5
169.45029	2.2
173.02950	56.7
175.00871	5.4
175.04523	35.3
183.01385	6.5
183.41597	2.3
185.02950	13.0
186.91699	18.8
191.03995	5.5
193.01958	16.8
196.04523	2.9
199.00928	4.0
201.02457	33.5
203.03998	8.3
211.00925	5.9
219.03511	33.5
227.00417	9.6
229.01930	70.5
229.04109	4.8
230.02020	2.8
245.01428	6.0
247.03011	9.9
254.99763	3.9
267.89435	3.5
273.00922	30.9
291.01990	19.6
291.06897	2.8
291.12973	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	291.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
55.01873	1.8
55.05507	0.9
56.05025	0.7
63.08796	0.3
65.03931	1.2
67.05496	2.1
68.99794	1.8
69.03414	0.8
70.06586	3.4
71.01351	0.4
71.58530	0.6
72.08142	1.5
77.03915	0.4
79.05493	0.6
81.03387	0.7
83.04964	1.4
83.33192	0.3
84.04498	1.0
84.08143	2.8
84.60207	0.3
85.02895	0.7
86.09694	2.1
91.05483	2.2
93.03410	1.1
93.07053	0.4
95.04970	3.4
97.02866	0.8
98.97560	0.3
105.03386	1.5
105.07026	1.1
106.03738	0.5
107.04940	0.7
109.02886	0.4
110.07150	1.2
111.00748	0.5
111.04426	3.2
115.05450	1.5
119.04930	6.1
120.08111	1.1
123.04422	64.5
124.04719	0.9
127.03909	1.5
129.10213	1.0
131.04900	0.4
132.88350	0.4
133.06461	1.5
135.04417	0.6
136.07576	1.0
137.02327	1.0
137.05946	1.7
139.03893	100.0
140.04330	0.8
143.04910	3.7
147.04404	22.3
149.05954	0.4
151.03915	2.7
151.07544	0.6
161.05972	8.3
163.03844	1.7
165.05475	14.1
169.04944	1.5
177.05443	2.1
179.07013	3.0
181.04951	0.8
189.05537	1.7
207.06514	6.5
213.05638	0.4
222.00575	0.5
249.07578	1.2
268.01102	1.6
273.07635	1.2
273.12335	0.5
291.08698	4.8
291.13248	1.3
291.17331	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	290.1748
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05507	0.9
56.05044	3.3
56.96554	1.2
57.07084	2.2
58.06587	1.7
65.03925	1.3
67.05505	6.8
69.07061	4.4
70.06576	0.7
71.08612	1.7
71.51180	0.6
71.51564	0.7
74.06086	2.3
79.05470	2.0
81.07037	1.5
82.06573	2.6
83.08581	0.7
83.17830	0.4
85.10174	0.4
88.07110	0.6
88.07626	10.4
91.05473	1.4
93.03389	1.7
93.07048	2.9
95.08602	1.7
97.06507	2.3
105.07032	0.6
107.04996	0.7
107.08575	2.7
109.06529	0.5
109.10185	0.9
110.06038	21.9
111.03720	0.8
111.04442	10.7
117.07011	0.6
118.08632	2.0
122.08124	1.9
123.04418	1.6
124.58176	0.6
127.13139	0.6
133.10110	0.9
135.11688	2.8
137.05981	1.4
138.05493	100.0
139.05823	1.2
145.06483	1.0
149.06030	0.5
153.12709	0.6
163.07536	1.7
163.64818	0.6
177.09102	0.7
178.09538	0.4
226.11133	3.4
228.23270	0.7
242.24774	11.5
244.12244	2.8
267.13931	0.8
272.17325	0.6
273.14865	0.8
290.17587	5.8
290.26889	31.3
290.29510	1.3
313.05185	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	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01852	0.9
55.05512	1.2
56.05038	3.7
57.03428	2.7
60.04517	2.9
61.02922	4.0
68.99795	3.8
69.03422	2.3
69.07058	1.1
70.06581	4.3
71.04992	0.7
71.39709	0.6
71.51261	1.1
72.04516	1.0
72.08146	3.2
73.02908	2.3
74.06087	0.6
79.05492	1.0
80.05019	0.8
81.03428	3.9
81.07050	1.3
81.13400	0.7
84.04503	100.0
84.08130	4.0
85.02898	16.4
85.03380	1.1
85.04832	1.2
86.09702	5.3
87.00829	6.2
88.78398	0.8
91.05489	1.5
95.08630	1.1
96.04491	2.1
97.02896	3.6
97.06546	0.7
98.06067	4.6
99.04446	1.7
100.03971	1.1
103.03938	15.2
103.05463	1.0
105.01868	3.5
107.04937	1.1
108.04478	2.9
109.02872	4.5
110.06033	1.1
110.07166	1.8
114.05553	0.7
120.08099	7.2
121.08485	1.2
122.06069	0.7
126.05515	28.1
127.03905	3.7
129.01839	5.1
129.10240	1.2
132.08168	0.7
136.07533	1.0
137.06018	1.4
143.11809	0.9
144.06612	1.9
144.10237	0.9
145.04956	0.8
147.02861	3.2
147.04430	1.1
151.03925	0.8
156.06598	1.9
159.09235	1.2
159.11717	0.8
161.12930	0.9
162.05525	0.9
164.07115	1.0
168.06569	11.0
171.02884	2.2
176.07060	0.8
177.07843	6.2
186.07639	2.5
189.03897	5.1
193.07338	1.4
204.08672	3.3
212.05478	1.1
224.56813	0.7
228.08609	1.1
246.14980	4.2
255.78979	0.7
272.07556	3.3
276.04977	0.9
290.08670	15.6
290.11526	0.9
290.14572	0.8
290.17398	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	290.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57397	0.6
53.03912	1.1
55.01826	2.1
55.05508	3.8
55.86732	0.6
56.04983	4.8
57.03389	0.7
58.99583	6.8
60.04501	0.7
61.01126	0.8
61.93496	0.7
67.05465	1.6
68.04991	0.7
69.07023	1.1
69.73891	1.1
69.74302	3.1
70.02906	1.5
70.06590	5.9
70.14808	0.6
70.90436	0.5
72.08152	7.7
73.02878	0.7
74.00668	3.8
74.06052	1.0
76.02229	3.7
79.05490	6.4
80.04970	1.1
81.03362	2.0
81.07056	8.0
82.06537	1.2
82.41129	0.6
84.04443	2.4
84.08150	5.9
85.01125	12.8
86.00650	39.1
86.09707	4.4
86.99052	3.4
87.02692	12.5
88.02161	2.1
88.03978	2.9
91.05458	1.4
95.08609	3.4
96.04507	0.6
96.08061	1.1
97.01104	0.7
98.09692	11.0
100.02177	1.2
101.00592	0.7
102.03757	0.5
102.63457	0.6
105.00060	1.5
105.07014	3.0
107.08554	0.7
110.07151	1.0
110.09595	1.8
112.08683	0.8
113.04231	12.3
115.05759	1.6
116.25090	0.6
118.28360	0.6
120.01087	1.2
120.08099	4.4
120.17645	0.6
122.02691	0.7
122.09618	2.2
123.04389	1.3
123.08075	3.1
128.01662	0.8
129.10234	4.1
130.06787	2.0
131.01593	2.4
132.01146	48.2
133.06509	1.0
135.04407	0.6
136.07520	1.9
137.06027	1.0
139.03911	1.1
139.05679	1.9
141.99747	0.7
156.08426	26.7
157.08588	0.8
158.09937	0.9
159.04758	33.4
176.07161	0.8
185.06276	2.2
191.51917	0.7
198.09468	3.6
202.08960	100.0
203.09409	1.2
210.14986	0.7
226.08960	27.6
244.10057	17.3
261.51904	0.6
272.09506	19.1
290.10605	20.6
290.13882	3.1
313.56305	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	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.17257	0.4
55.01875	0.9
55.05505	1.5
56.05036	2.0
57.03430	2.5
60.04523	1.5
61.02926	3.9
67.05505	6.7
68.99789	4.1
69.03423	2.9
69.07066	4.0
69.42850	0.4
69.81527	0.9
69.81936	1.5
70.06589	1.4
71.04998	0.7
72.04513	0.5
73.02931	3.0
74.06075	0.4
77.03902	0.3
79.05489	2.3
80.05013	0.7
80.05844	0.5
81.03410	3.6
81.07063	3.0
82.07381	1.2
84.04504	100.0
85.02904	14.9
85.04842	0.7
87.00827	6.4
91.05486	3.1
93.07052	2.1
94.07358	1.1
95.04967	1.1
95.08599	2.2
96.04489	2.2
96.05209	0.5
96.08955	0.6
97.02884	3.8
98.06062	4.8
98.21495	0.7
99.04444	1.4
100.03938	0.5
103.03940	15.4
105.01861	2.7
105.07027	1.3
106.07357	0.9
107.08581	1.4
108.04475	2.6
108.08928	0.8
109.02881	4.2
109.06474	0.8
109.10155	2.2
110.06026	1.1
110.10456	0.7
117.90652	0.4
119.04933	1.6
119.08577	1.1
120.08076	0.7
121.06514	0.5
121.10138	1.0
122.06072	0.6
122.10501	0.7
123.11707	0.7
126.05518	23.1
127.03897	2.8
129.01825	5.2
131.08551	0.4
133.10194	0.5
135.04433	0.5
137.05975	9.4
137.09610	1.1
140.07042	0.5
144.06529	1.2
147.02885	3.4
147.11713	0.4
147.92577	0.4
148.11984	0.4
149.13310	0.5
150.05486	1.0
150.13675	0.5
156.06558	1.7
161.13239	0.4
168.06572	9.7
169.04980	0.9
171.02878	1.2
186.07578	2.6
189.03955	4.7
204.08609	3.2
212.05508	1.2
213.03845	0.6
228.08609	1.1
230.06735	0.4
272.07635	3.7
272.24554	0.6
273.14874	4.9
290.08670	14.0
290.13971	0.7
290.17447	3.4
290.25549	2.3
300.49417	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	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
57.06801	0.4
57.07070	8.0
58.06586	1.3
61.74094	0.4
70.06587	17.6
71.08608	1.5
84.04504	1.4
84.33063	0.5
85.10172	0.9
86.09709	0.6
88.07622	24.5
88.22054	0.4
102.09172	15.0
126.05515	0.7
128.30431	0.4
132.10214	0.9
134.57520	0.4
146.11708	0.9
150.11224	0.8
184.20619	1.4
186.04451	0.4
221.57780	0.4
228.23206	45.1
238.90417	0.3
249.57603	0.4
272.25839	2.4
290.26865	100.0
296.03711	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	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33903	0.3
55.01869	0.3
55.05505	1.0
56.05029	1.8
57.03443	1.6
57.07075	7.6
59.41835	0.3
60.04520	1.2
61.02660	0.3
61.02908	2.1
67.05502	1.7
68.05026	0.5
68.99790	1.8
69.03427	0.8
69.07063	0.9
70.06590	15.4
71.08629	2.3
71.51118	0.5
71.51543	0.3
72.04515	0.8
72.08150	0.3
73.02924	1.6
79.05493	0.8
79.45193	0.4
81.03429	2.0
81.07061	1.2
83.08617	0.4
84.04503	52.1
84.08117	1.8
85.02902	8.8
85.10181	1.5
86.09689	0.8
87.00821	3.9
88.07629	17.5
91.05476	1.0
93.07035	0.6
95.05001	0.5
95.08626	0.7
96.04498	0.6
97.02893	1.9
98.06038	2.1
99.04465	0.5
100.03955	0.3
102.09173	0.8
103.03937	8.6
105.01859	1.3
106.08669	3.0
107.04967	0.5
107.08625	0.7
108.04473	1.4
109.02893	1.9
109.10188	0.8
110.10464	0.3
114.09165	6.4
114.96510	0.3
118.08610	1.8
119.08607	0.5
126.04586	0.8
126.05513	13.4
127.03923	1.2
129.01817	2.3
130.08641	0.4
132.10196	22.1
137.05959	1.5
140.07129	0.4
147.02887	2.6
150.05486	0.5
150.11250	19.0
156.06525	0.7
157.07976	0.4
168.06589	3.9
171.02875	0.8
172.88698	0.3
176.14381	0.6
184.37967	0.3
186.07649	1.4
189.03909	3.2
204.08740	1.3
209.03548	0.3
212.05449	0.5
214.21674	1.2
228.08658	0.7
228.23233	1.4
246.24300	6.4
267.09036	0.6
272.07590	2.4
273.14816	0.6
285.10080	0.7
290.08719	7.2
290.26886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03953	2.4
55.01867	2.0
55.05506	15.9
57.03426	2.0
57.07079	6.1
57.11916	1.2
65.03916	2.2
67.05505	28.0
68.99768	1.6
69.03416	1.9
69.07068	46.4
70.06580	1.9
70.71644	3.6
71.04981	3.3
71.08623	1.4
79.05488	19.2
81.03372	1.4
81.07052	100.0
83.04971	2.7
83.08627	7.7
84.04501	22.3
85.02891	4.6
85.06541	2.3
86.09666	2.4
91.05473	18.4
93.07041	61.9
95.04971	14.4
95.08604	47.7
97.06527	8.1
97.10158	3.2
103.03905	2.9
105.04548	1.3
105.07027	22.2
107.04916	3.1
107.08589	42.0
109.06489	8.1
109.10149	35.4
111.08064	2.3
111.11721	2.5
116.98498	2.6
117.07054	2.9
119.04993	1.5
119.07816	1.6
119.08572	18.6
121.06519	1.7
121.10135	21.7
123.04452	1.2
123.08117	1.9
123.11700	64.3
124.05228	1.1
126.05491	3.6
127.11142	1.9
131.08557	3.7
133.10117	18.0
135.04405	1.3
135.08008	2.0
135.11678	12.4
137.06015	7.1
137.09589	3.4
137.13217	4.0
139.11188	2.0
145.02821	2.9
145.10101	5.4
147.11670	13.6
149.09575	1.2
149.12192	1.4
149.13261	12.2
151.06288	1.6
151.07538	1.5
151.11154	11.0
159.11681	10.2
161.13263	10.8
163.11211	1.1
163.14818	6.8
165.12737	2.6
171.11578	1.6
173.13240	4.8
175.14830	6.2
177.05513	8.0
177.16405	3.3
179.14230	1.7
187.14851	2.5
189.16357	4.5
191.17886	2.2
193.15913	1.7
195.17473	3.2
201.16440	2.6
203.17992	2.2
215.18001	5.6
217.19530	1.9
219.17537	1.4
233.18983	1.5
254.58957	1.2
271.17001	1.2
271.24194	10.9
273.14825	5.7
275.06384	1.2
289.10751	1.3
289.18060	3.9
289.25238	32.6
290.08594	3.3
290.17413	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	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03941	3.8
55.01872	1.2
55.05513	6.8
57.03424	2.9
57.07080	3.5
63.85955	0.7
65.03942	1.2
67.05502	9.5
69.03417	1.7
69.07069	19.2
71.04982	0.8
71.08613	1.5
71.45287	0.9
72.33632	0.7
76.29999	0.7
79.05492	8.3
81.07057	36.5
82.07397	0.9
83.08607	6.1
83.16138	0.7
84.04494	2.9
85.06532	1.7
91.05479	15.3
91.06033	1.3
93.07043	100.0
95.04970	19.8
95.08603	23.7
97.06526	2.7
97.10179	2.8
105.04514	1.4
105.07038	11.1
107.08598	22.2
109.06560	3.4
109.07185	0.7
109.10158	13.4
109.69375	0.7
111.08074	3.6
111.11703	1.1
117.07040	2.1
119.08588	12.1
121.06490	1.9
121.10149	19.9
123.08070	1.3
123.11697	9.7
125.09647	1.3
131.08562	2.2
133.10133	7.0
135.11697	6.7
137.05962	1.6
137.09602	1.2
137.13281	2.5
139.11153	1.7
145.10132	5.0
147.11719	6.4
149.09633	1.2
149.13260	7.6
149.66980	0.8
151.11208	2.1
159.08037	0.8
159.11694	6.6
161.13249	5.6
163.11131	1.3
163.14793	3.7
165.12735	1.3
173.13293	2.5
175.14818	3.5
177.12769	1.7
177.16440	2.2
187.14893	1.8
189.16350	1.8
191.17934	1.8
195.17468	8.4
201.16415	1.2
203.17848	0.8
209.19252	0.7
215.17928	4.2
229.19516	1.5
231.21088	1.5
233.19046	1.1
241.15395	0.7
271.16876	1.0
271.24216	10.9
289.15417	0.8
289.18369	1.9
289.22046	1.4
289.25253	21.6
290.17563	1.1
290.26166	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	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.02372	1.2
51.62040	0.9
53.03940	3.4
55.01851	1.4
55.05510	14.5
56.71457	1.1
57.07076	6.7
65.03938	2.2
67.05503	28.4
69.03429	1.6
69.07068	34.5
70.06570	2.6
70.89272	3.1
71.04996	5.0
71.08620	2.9
79.05068	1.7
79.05488	20.4
81.07055	100.0
82.07377	1.1
83.04958	2.2
83.08616	9.1
84.04502	3.6
84.08145	1.9
85.06546	2.9
86.09713	1.2
91.05475	14.6
93.07043	58.5
94.07361	1.4
95.04956	6.3
95.08606	65.2
97.06519	7.6
97.10179	5.8
99.08061	1.1
103.03965	1.1
103.05465	1.1
105.07023	29.6
107.04929	3.4
107.08591	43.8
109.06483	3.1
109.10156	42.1
109.10776	0.9
110.07134	1.0
111.08069	3.4
111.11727	4.5
117.06988	3.5
119.08580	22.9
120.08112	1.3
121.10139	31.7
123.08064	2.4
123.11703	48.8
125.09627	2.5
127.11157	1.5
130.07820	1.0
131.08589	6.6
133.10129	24.2
135.04401	1.0
135.07941	1.1
135.11693	21.8
137.06003	2.5
137.09596	1.2
137.13261	10.0
139.11203	2.8
145.10109	10.1
147.11665	19.1
149.06010	2.4
149.09662	1.7
149.13263	22.8
151.11154	8.7
151.14836	1.9
153.01845	3.5
153.12778	1.4
154.22008	1.0
159.11702	8.1
161.13266	10.2
163.03899	1.6
163.11128	1.4
163.14824	11.1
164.07042	1.0
165.12738	4.1
173.13251	7.2
175.14857	10.1
177.12794	1.5
177.16408	6.4
179.14272	1.9
187.14801	6.0
189.16405	8.2
190.97441	1.1
191.17981	2.2
197.06180	1.3
201.16371	5.8
203.17879	5.8
207.17596	2.0
215.06894	1.6
215.17972	8.9
229.19571	2.3
233.19006	1.7
245.22639	4.3
247.20694	1.4
271.24191	20.3
289.06100	2.8
289.10815	2.3
289.25262	52.5
290.08804	1.1
290.25476	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
54.44408	3.2
55.01865	7.5
55.05503	10.9
56.20864	3.0
65.43536	3.0
65.97174	3.1
66.96795	2.8
67.05511	22.0
69.03435	4.8
69.07066	20.5
70.06587	2.8
70.36587	14.2
71.04994	14.2
73.06536	3.0
79.05481	23.0
81.07059	55.8
83.04983	24.1
83.08598	6.4
84.08127	3.1
85.06547	11.2
89.46745	2.9
91.05469	18.5
93.07035	63.7
95.04976	16.5
95.08600	53.2
97.06526	35.0
99.04456	26.4
105.07031	39.3
107.04971	3.3
107.08588	27.7
109.06515	30.9
109.10133	9.2
111.04373	2.7
111.08066	26.6
112.76884	2.9
113.06029	4.4
113.41811	3.0
119.08572	25.6
121.06499	81.9
121.10167	10.3
122.06084	4.2
123.04432	6.8
123.08071	6.3
123.11685	9.9
125.05983	13.7
127.07565	9.1
129.38374	3.7
131.08603	6.4
133.06520	3.6
133.10146	23.9
135.04376	5.6
135.08046	11.8
135.11685	3.7
137.05988	9.2
139.07513	21.9
140.07069	13.4
142.07788	4.2
143.07066	10.7
143.08536	5.3
145.02788	3.2
145.10156	10.1
147.08023	5.8
147.11678	57.5
151.11192	10.7
153.01820	27.3
157.08615	13.1
157.10123	9.8
159.06616	14.3
159.07825	3.1
161.13274	12.4
163.03911	9.9
165.12752	18.1
169.12204	19.9
171.02841	6.0
171.11740	18.5
175.11183	39.2
189.12732	24.3
193.12247	34.5
199.11143	28.3
207.13805	20.5
211.13277	41.1
217.12210	100.0
229.14380	13.4
235.13286	78.4
244.09685	12.1
253.14308	43.7
253.16881	4.7
259.91791	3.0
271.05997	3.9
272.79938	3.4
289.07111	20.5
289.11841	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	289.1644
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
53.03938	6.6
55.01871	7.4
55.05508	20.8
60.48809	3.9
64.29972	4.3
65.03923	4.6
67.05502	16.3
69.03429	7.2
69.07067	22.3
69.92858	6.8
69.93273	16.6
70.06588	17.1
71.04990	8.4
72.08163	10.7
79.05496	26.1
81.07053	52.0
83.04980	19.1
83.08627	14.4
84.04511	16.0
84.08143	39.7
85.02943	4.8
85.06529	9.3
86.09711	52.1
87.10023	5.7
91.05482	26.3
93.07037	59.4
95.04975	27.8
95.08604	47.9
97.06510	31.6
99.04468	21.1
103.05505	5.9
105.07024	40.9
107.04950	9.8
107.08579	27.8
109.02858	5.1
109.06553	32.9
110.07165	7.3
111.04483	4.5
111.08074	25.3
113.05984	5.9
116.07079	4.1
119.08568	26.6
120.08112	16.3
121.06503	79.7
121.10149	8.2
122.06047	13.7
123.04425	13.4
123.08088	8.2
123.11706	12.7
124.07590	4.2
125.05986	18.2
127.03956	6.5
127.07542	15.6
129.07008	7.6
129.10228	28.4
130.36839	4.1
131.08543	7.3
133.06584	5.3
133.10126	26.6
135.04434	10.8
135.08043	14.5
137.06007	10.0
139.07535	23.2
140.07045	8.3
140.26578	4.1
143.07039	15.3
145.10144	7.8
147.08121	4.7
147.11673	53.1
151.07500	4.9
151.11176	10.2
153.01840	10.2
157.08592	13.2
157.10167	16.1
157.13295	4.2
159.06485	13.9
159.08354	9.1
160.35556	4.5
161.05988	3.8
161.13269	15.4
162.02139	4.3
163.03883	7.3
165.12773	17.9
169.12256	20.4
171.02870	5.3
171.11749	10.7
174.04015	11.1
175.11206	35.0
177.07901	14.3
181.10133	7.6
189.12756	28.1
193.12231	39.0
199.11168	31.5
207.13867	17.7
211.13246	35.2
215.07132	5.8
217.12233	100.0
225.14740	4.4
229.14371	16.5
235.13301	80.8
237.89549	4.4
244.09755	5.1
253.14317	47.9
257.08136	4.9
271.10818	8.9
272.09982	7.1
277.15759	4.1
289.06281	12.7
289.11838	14.0
290.17627	4.6
290.63702	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	289.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01863	7.9
55.05507	14.4
56.96556	2.7
57.03424	3.7
57.07055	2.5
59.82100	2.2
60.04519	1.9
65.03938	3.6
67.05504	35.4
69.03418	9.1
69.07068	37.8
70.06598	10.6
70.15473	2.1
70.15788	9.5
71.04992	44.5
72.08149	5.7
73.02908	2.6
79.05495	61.0
81.03419	4.9
81.07054	38.1
83.04978	15.8
83.08620	2.6
84.04504	23.9
84.08137	13.9
85.02902	4.2
85.06561	13.9
86.09697	15.3
87.00842	9.9
87.04476	9.6
91.05482	21.5
93.07041	80.9
94.06565	5.9
95.04946	10.1
95.08599	32.4
97.02900	2.3
97.06526	17.2
99.08027	2.6
101.06013	5.5
103.05457	3.6
105.01890	2.1
105.07031	17.7
107.04946	13.7
107.08580	25.0
109.06494	3.4
109.10146	7.1
110.06054	3.0
110.07150	3.6
111.04442	4.1
111.08107	4.2
113.06054	2.8
115.03946	5.3
116.98625	3.7
117.06985	2.2
119.08581	8.0
120.08105	14.2
121.06548	6.3
121.10145	100.0
122.06003	10.6
123.04484	2.7
123.08078	2.9
123.11735	5.9
125.06020	5.6
126.05499	5.0
127.03976	2.3
129.07010	2.4
129.10243	8.6
130.06511	5.0
131.04918	3.0
131.08554	21.5
133.10120	6.2
135.04388	4.3
135.11659	2.8
136.07600	3.8
137.05991	5.8
139.11180	46.0
140.07080	28.7
145.10034	2.0
148.03940	4.9
149.06000	2.7
149.09618	29.5
150.05515	4.0
150.09154	3.4
151.11270	3.6
153.01880	2.7
157.12234	35.2
165.07031	3.0
167.10669	38.4
171.02643	1.8
185.11734	15.2
188.07222	2.2
188.10658	2.0
199.32344	2.1
216.10147	2.5
230.09674	4.2
244.09451	20.8
257.08063	2.5
271.10864	4.7
272.09216	5.6
289.06177	6.2
289.11908	20.8
289.15274	3.0
289.21066	2.3
289.25067	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	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03932	0.4
55.01872	0.8
55.05489	0.4
56.05028	0.5
57.03420	0.5
60.04530	0.4
60.05637	0.3
61.02929	0.7
66.11656	0.3
69.03430	2.3
70.06598	1.7
70.30001	1.2
72.08146	1.3
81.03413	0.9
81.07074	0.4
84.04502	0.7
84.08150	1.9
85.02903	4.5
86.09704	1.6
87.05595	0.4
87.10025	0.4
91.05489	0.5
93.07051	0.3
97.02882	1.5
99.04478	0.4
107.04987	0.5
109.02904	0.7
111.04465	0.5
121.06553	0.4
123.04438	1.6
125.35968	0.2
127.03915	100.0
128.04262	1.3
129.10225	0.7
132.47659	0.3
135.04407	3.2
136.07564	0.9
139.03902	1.3
143.08659	0.3
145.04921	0.7
146.76837	0.3
149.78609	0.3
151.03917	0.7
151.36786	0.3
163.03917	0.9
175.12000	0.3
176.07097	0.3
182.45581	0.3
183.99165	0.3
230.15759	0.4
252.57701	0.3
289.06870	0.4
289.11990	0.7
289.20572	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	289.0706
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	1.1
56.57100	0.7
56.96549	0.6
65.03935	5.5
65.30335	0.6
66.70697	0.6
67.05482	1.9
68.99781	2.6
69.07040	0.8
70.06570	3.0
70.64108	1.5
72.08141	1.8
79.05492	2.0
81.03397	1.6
83.04969	0.7
84.04480	1.6
84.08137	2.6
86.09694	2.4
87.10036	0.9
88.61414	0.6
89.03909	3.1
93.03400	5.3
95.04965	3.2
103.05489	1.3
107.04946	6.4
109.02867	1.5
110.24787	0.6
111.00800	0.7
111.04433	23.4
113.61299	0.7
115.05431	0.8
117.03355	3.6
121.02872	1.1
123.04421	42.1
127.03906	44.8
129.10246	0.9
130.05034	0.7
130.06540	2.2
131.04900	3.5
135.04405	100.0
136.04828	0.8
137.02325	2.8
139.03894	36.5
144.08118	0.7
147.04538	0.7
149.02345	5.6
149.05940	2.1
151.03886	17.4
155.04997	0.7
157.06448	1.2
159.04398	2.2
161.05925	1.2
163.03902	22.7
167.03436	0.9
169.06516	1.8
173.05956	2.1
176.07005	1.3
177.05446	1.9
179.03395	2.4
185.06015	1.0
186.16869	0.8
187.03888	2.4
197.05968	2.6
201.05452	0.8
203.07071	1.3
205.04985	1.9
205.10797	0.8
213.05461	1.3
215.06897	1.5
217.21016	0.7
225.05365	0.9
229.04980	1.2
231.06474	3.5
241.04886	0.7
243.06500	3.6
245.12773	1.2
259.06036	6.4
261.07620	8.0
271.05954	9.8
289.07043	14.0
289.12137	1.3
289.15427	1.3
289.20792	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	289.0707
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02382	1.0
53.03930	0.7
55.01870	1.9
55.05500	1.4
56.05029	1.4
58.53965	0.4
58.99570	1.6
60.04525	0.8
65.03926	1.1
67.05504	3.1
68.99794	2.5
69.03413	0.9
69.07051	1.2
70.02953	0.8
70.06590	7.3
70.65523	1.3
72.08153	3.4
73.08496	0.6
74.06081	0.8
76.02218	0.7
77.03915	1.2
79.05502	2.4
81.03432	0.9
81.07046	1.7
83.01350	1.3
84.04504	2.3
84.08148	4.6
85.01118	1.8
85.02909	1.0
86.00643	5.3
86.09702	6.6
86.99031	0.6
87.02691	2.0
87.10024	1.6
88.03976	1.1
89.03901	2.9
91.05464	2.1
93.03394	1.0
93.07001	0.8
95.04960	4.4
95.06059	0.8
95.08614	1.2
97.02904	0.6
98.09698	1.5
101.04259	0.6
103.05498	1.1
105.03381	3.4
105.06995	0.8
107.04945	1.7
107.08588	1.0
109.79617	0.6
110.07148	1.8
111.00806	1.0
111.04443	2.9
112.08708	1.8
113.04226	1.6
113.09067	1.5
115.05464	0.5
117.03375	3.6
119.04951	1.0
119.08512	0.7
120.08097	2.4
122.05913	0.5
123.04424	100.0
124.04743	1.0
127.03912	1.8
129.07280	0.7
129.10236	2.1
130.04991	1.1
130.06517	12.3
131.04912	1.7
132.01134	6.9
132.04443	3.0
135.04408	11.9
136.07561	0.7
137.02396	0.7
137.05977	1.6
138.06462	0.5
139.02815	1.1
139.03896	22.8
141.06958	1.1
145.02843	5.5
145.10123	0.8
146.03174	2.1
146.05974	0.9
147.04410	0.9
148.07573	0.5
149.02370	1.1
149.05991	1.1
151.03896	5.8
153.01901	0.7
155.04984	0.5
156.08501	2.9
157.06398	1.0
157.07590	7.8
158.06009	12.1
159.04648	5.6
161.06001	0.7
163.03900	22.4
167.03532	0.5
169.06560	0.8
173.05893	0.8
175.08672	6.1
175.11963	0.5
177.05513	3.3
178.05849	3.6
185.05981	0.9
187.03917	4.0
197.05728	2.3
198.09283	0.8
199.08717	2.4
202.08963	9.8
205.04968	3.4
209.05965	0.6
211.08754	0.7
225.05435	1.1
226.08946	3.9
229.05128	0.8
231.06500	0.7
243.06485	0.9
244.10030	2.3
245.04466	4.2
245.09160	0.9
259.06125	0.8
271.06015	1.2
271.10840	0.8
272.09473	3.6
276.74612	0.5
289.07007	9.8
289.11340	3.1
289.20599	2.5
290.10422	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	288.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38689	0.8
55.01873	0.8
55.05507	11.4
56.05021	1.1
57.05810	0.9
60.04519	1.0
60.05640	5.2
65.03951	0.9
69.07080	1.0
70.06590	32.9
71.54253	1.3
72.08152	100.0
73.08482	0.7
74.06064	1.0
79.05506	1.3
80.04099	0.7
81.07045	0.9
84.04502	1.7
84.08136	5.4
85.08439	0.8
86.09704	65.7
87.10020	0.8
88.03955	0.8
91.05464	1.4
95.04933	0.9
97.07629	0.8
98.06067	1.1
104.07143	1.7
107.04950	0.9
110.07153	1.5
112.08727	4.2
115.08685	0.8
116.07127	2.4
118.06579	1.7
118.08671	1.6
119.04936	1.3
120.08127	1.8
121.06512	1.2
122.06028	1.5
123.04433	2.8
124.07576	0.9
127.03960	1.5
129.10239	25.6
130.06551	1.1
130.08763	0.8
130.09715	0.9
132.10178	12.2
135.04439	4.1
137.02383	2.1
137.05968	1.5
139.03958	1.5
143.11795	19.1
145.02951	1.6
147.04460	1.0
149.06007	0.9
149.07921	1.1
150.05565	1.4
151.03856	1.1
156.11394	0.8
157.09717	12.1
157.10725	0.7
157.13354	10.3
158.09267	1.2
160.05074	0.9
163.03931	0.9
166.08530	1.1
171.11269	4.3
175.11914	7.8
177.05530	2.5
183.14914	0.9
185.12819	4.6
189.12364	10.7
228.17123	0.9
229.15581	1.9
230.08112	0.7
234.07416	0.8
243.17146	1.3
244.15321	1.5
244.72368	0.8
257.08145	3.4
259.06030	1.0
270.09781	0.8
270.13406	0.9
271.11765	1.4
271.17572	4.4
288.06128	1.3
288.12091	1.4
288.20282	21.8
289.12067	1.1
289.20718	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	289.0705
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.03907	1.0
55.01854	1.2
55.05494	1.0
56.05032	0.8
61.88902	0.7
65.03929	6.2
66.23092	0.8
67.05489	3.0
68.99765	3.6
69.07038	1.3
70.06573	0.9
70.83867	1.0
79.05495	1.2
81.03406	2.2
83.04959	1.0
84.08115	2.1
86.09663	1.6
89.03908	5.3
91.05470	1.4
93.03398	8.0
95.04938	4.1
96.62272	0.8
97.02827	0.7
103.05457	2.5
105.03358	1.5
107.04951	7.0
109.02856	1.0
111.00803	1.4
111.04437	23.3
115.05457	1.7
117.03374	4.6
121.02872	1.1
123.04419	85.1
126.09137	0.8
127.03906	46.1
129.10211	0.9
131.04945	4.7
135.04404	100.0
136.04715	1.1
137.02257	2.2
137.03227	0.9
139.03891	45.1
141.06981	2.2
142.95830	0.8
145.02846	2.5
145.06502	1.0
147.04301	1.1
149.02348	6.6
149.05959	2.8
151.02751	1.5
151.03896	18.1
152.04700	0.9
153.01735	0.9
157.06444	1.4
159.04362	2.6
161.05933	1.5
163.03891	32.3
163.05260	1.6
167.03508	0.9
169.06516	1.0
173.05952	1.9
177.05428	2.3
179.03392	2.9
181.06418	0.9
185.05954	1.2
187.03830	4.5
187.07529	0.8
197.05978	3.3
201.05400	2.3
203.07155	1.8
205.04945	2.7
213.05470	1.7
215.07021	3.3
217.04948	1.0
225.05432	2.5
227.11769	1.2
229.04901	1.2
231.06512	4.4
241.04974	1.4
242.08148	0.9
243.06448	4.7
245.04355	1.3
253.04881	1.5
259.06021	4.0
261.07507	6.4
271.05975	11.8
289.07101	16.7
289.10434	1.2
289.11938	1.6
289.15314	1.7
298.07083	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	287.2367
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
53.03938	1.6
53.43033	1.3
54.46586	1.2
55.05516	11.8
56.36984	1.4
57.07071	5.1
59.70654	1.5
67.05502	18.7
69.03407	1.5
69.06727	2.2
69.07062	19.1
70.06583	2.2
71.04990	15.2
71.08620	2.0
71.68327	1.2
72.08157	1.5
79.05486	17.1
79.90597	1.3
81.07049	47.6
83.08598	4.4
84.08152	3.8
85.06525	1.9
86.09700	2.3
91.05464	19.6
93.07040	33.9
95.04953	3.4
95.07985	2.5
95.08601	47.4
97.06547	3.2
97.10172	2.8
99.08080	4.5
100.12946	1.5
105.07025	64.8
107.04947	10.2
107.07474	1.7
107.08585	43.2
109.06457	3.2
109.10153	28.0
111.08051	2.9
111.11710	2.4
113.09678	2.1
117.07032	10.6
119.08578	67.4
121.10141	25.2
123.08022	1.9
123.11671	10.1
125.09615	5.4
127.11180	10.4
128.06181	2.6
129.07025	2.8
130.07780	3.1
131.08563	22.6
133.06465	1.6
133.10127	26.8
135.11694	8.1
137.05951	1.6
137.09560	2.0
137.13251	3.1
142.07733	3.6
143.08559	12.2
143.89314	1.3
144.09314	2.8
145.10117	54.3
147.04387	1.8
147.11676	42.5
149.09688	1.7
149.13200	10.1
150.05475	2.3
151.06206	1.5
151.11125	1.9
153.01816	4.2
155.08513	2.2
156.09337	4.0
157.10101	20.7
159.11684	47.1
161.05885	1.9
161.09637	1.8
161.13249	13.2
163.11174	2.6
163.14793	3.2
165.12735	3.1
165.60374	1.4
167.03410	2.1
171.03067	2.0
171.11687	17.4
173.09607	1.5
173.13280	20.1
175.14775	7.7
177.12827	2.0
177.16414	1.8
179.14238	3.4
181.04979	1.6
185.13202	13.8
187.14804	6.6
189.16353	12.2
191.14252	3.0
193.04906	1.9
193.15889	3.4
199.14798	15.3
201.16371	100.0
202.16721	4.0
203.17943	2.1
205.15878	2.1
213.16327	16.0
215.17905	4.7
215.77281	1.4
217.15968	1.7
227.17900	6.3
229.19522	2.9
231.17465	3.0
241.19527	2.1
257.08209	2.4
259.20496	1.7
259.24228	2.1
269.08066	4.3
269.22610	32.4
287.05478	16.3
287.09161	4.5
287.23676	89.2
288.09482	2.0
288.12494	1.9
288.15829	3.1
288.23907	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	287.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05497	3.0
56.05031	0.9
56.36663	0.6
60.04509	0.8
63.00030	0.8
67.05514	1.2
70.02956	0.8
70.06586	8.1
71.06928	0.7
71.10944	1.9
72.08149	18.9
74.06087	1.0
84.04497	2.4
84.08140	9.4
86.09702	3.9
88.03985	10.6
91.05473	9.8
93.07040	0.7
94.06560	1.3
98.98464	0.8
100.47076	0.6
107.04951	4.5
108.80849	0.8
109.05119	1.1
109.06502	0.9
110.07150	1.6
112.07626	1.1
112.08703	1.2
116.07047	1.3
119.04911	3.8
120.05723	4.9
120.08105	0.8
122.06031	1.3
123.04433	1.1
125.00574	3.6
125.04234	0.9
126.07757	1.8
127.08125	0.8
129.10204	2.7
132.04411	0.9
135.02621	2.6
135.04381	6.1
136.06163	1.4
137.04558	2.9
137.05878	0.9
138.03723	3.0
138.04840	1.1
138.07658	0.7
143.11806	1.1
147.02620	4.3
147.04405	1.6
150.05489	11.8
151.02126	7.1
153.03674	6.5
154.07262	4.4
155.05646	0.8
155.07619	3.9
156.08800	0.8
163.02104	1.1
164.07042	1.5
165.07851	60.9
166.03209	100.0
167.03548	1.6
171.11249	0.9
171.14973	0.9
175.02147	3.2
175.11948	0.8
175.98703	0.9
177.68001	0.8
181.03171	10.8
183.04834	1.0
192.02380	3.3
192.04811	0.8
198.05824	22.2
207.04727	18.0
208.04941	0.7
209.06273	3.1
224.07387	7.0
226.08942	1.8
242.08453	5.6
245.11227	0.7
253.05270	9.9
260.27252	0.9
270.07953	23.6
270.10843	1.2
286.69867	0.7
287.10678	41.8
288.12750	0.9
288.20212	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	287.1274
Annotation	Myrigalone H
Peak:m/z	Relative Intensity
53.32939	1.7
55.78225	1.8
65.03939	3.9
67.05507	2.5
71.56995	2.6
74.60797	1.8
84.36855	1.8
91.05474	100.0
95.05002	2.2
103.05457	3.5
105.07027	87.6
109.06454	2.4
115.05457	27.4
117.07008	5.1
117.10232	1.8
125.06007	2.0
129.06982	3.5
131.04845	1.5
133.06470	14.1
137.05992	2.3
149.04045	1.7
153.01862	3.2
153.05463	7.9
155.07001	9.7
165.06992	2.3
167.07053	9.5
176.04655	2.3
177.06866	2.8
179.08626	1.8
183.06581	3.0
191.07016	15.9
194.07256	4.6
195.07976	3.2
209.09604	5.2
210.10260	2.3
237.09012	7.9
238.09639	2.6
241.12154	2.6
254.09517	3.8
269.08749	2.3
269.11703	46.5
287.05542	27.0
287.12708	34.6
287.19891	2.9
287.31131	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	287.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01869	20.5
55.05508	9.7
56.78314	0.4
57.03441	2.6
60.04526	0.4
65.03940	0.5
67.01851	0.6
67.05500	13.9
68.99781	1.6
69.03420	1.6
69.07063	4.8
70.06586	1.4
70.68028	1.6
71.04607	0.9
71.04988	16.2
71.06889	0.5
72.08161	0.6
75.04451	0.5
79.05493	8.7
81.03405	1.8
81.06586	0.9
81.07050	11.7
81.81439	0.5
83.04972	1.3
83.08619	4.0
83.38378	0.4
84.04498	0.6
84.08138	1.8
85.06535	2.7
86.09700	1.3
87.04462	6.9
91.05482	5.4
93.07040	9.3
94.25521	0.4
95.04963	1.4
95.08602	5.6
97.06524	100.0
97.10149	5.1
98.06862	1.4
105.03430	0.7
105.07019	3.6
107.04961	1.1
107.08589	6.0
107.64175	0.5
109.02880	0.7
109.06497	0.9
109.09389	0.7
109.10152	11.0
109.66328	0.5
111.00785	0.7
111.08082	1.7
113.06000	0.9
115.05446	0.7
117.03315	0.7
117.07028	3.8
119.08584	1.5
121.02855	3.1
121.06496	1.7
121.10186	2.6
123.08096	0.5
123.11695	0.5
125.09625	3.3
128.06187	0.5
129.06989	0.9
131.08572	3.3
133.02878	0.6
133.10088	2.5
135.04408	1.5
135.08054	2.5
135.11691	1.7
137.02324	1.6
137.06000	0.7
145.10132	0.9
147.04495	0.8
147.11700	1.2
149.09634	0.9
149.13261	2.2
150.05464	0.5
153.01814	7.6
157.06467	0.7
157.10017	0.6
159.11705	3.0
162.05455	0.5
165.01845	1.8
167.03403	1.1
173.13231	0.6
177.12737	4.0
183.02863	0.6
185.05998	0.8
189.11133	0.6
195.13794	37.0
196.14104	0.5
197.06013	0.5
201.16307	0.7
206.98102	0.5
213.05441	1.6
213.14862	7.9
213.16667	0.8
227.06877	0.6
229.05029	0.6
231.06570	0.6
241.05005	1.2
258.05310	1.4
259.05991	0.7
269.12814	0.5
269.17474	6.0
269.22482	0.8
276.70389	0.5
278.50500	0.4
287.05496	62.2
287.13773	1.2
287.18503	27.7
287.23135	2.8
288.05838	4.7
288.12573	0.6
288.15973	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03931	0.4
53.39943	0.2
55.01859	0.3
55.05497	1.0
57.07063	0.3
60.85536	0.3
63.00032	0.3
65.03919	0.4
67.05168	0.3
67.05498	1.1
68.05734	0.3
68.99786	1.9
69.03422	0.4
69.07056	1.2
70.06579	0.9
70.68338	0.3
71.04987	0.5
71.57992	0.5
79.05492	1.7
81.03414	0.6
81.07046	2.6
83.08608	0.4
84.08145	0.7
86.09704	0.5
91.05476	1.4
93.07050	1.5
94.06541	0.3
95.04978	0.7
95.08605	1.5
97.06530	0.4
97.43909	0.3
102.59219	0.2
105.03379	0.6
105.07028	1.6
106.06551	0.3
107.04944	1.0
107.08578	1.1
109.02876	0.7
109.10151	1.3
111.00784	1.3
111.04434	0.7
117.06993	0.7
119.08596	1.5
121.02853	7.1
121.06530	0.4
121.10114	1.2
123.11694	0.5
129.07011	0.5
129.10280	0.3
131.08565	0.8
133.02855	0.9
133.06482	0.4
133.10123	1.2
135.11678	0.6
137.02332	2.2
137.05977	0.4
143.08560	0.4
145.06488	0.6
145.10120	1.1
147.04379	1.4
147.11682	1.3
149.09625	0.3
149.13277	0.3
153.01823	11.4
156.75009	0.3
157.06483	1.4
157.10110	0.7
159.08034	0.3
159.11705	0.9
161.05978	0.6
161.13228	0.6
163.14812	0.3
165.01831	3.9
171.04433	0.7
171.11662	0.3
173.13264	0.5
175.14818	0.4
183.02905	1.4
185.05956	1.0
199.14760	0.6
201.16371	1.1
213.05437	3.7
213.16309	0.3
227.11847	1.4
229.05003	0.6
231.06531	1.5
241.04871	2.0
258.05209	2.4
259.06012	0.7
269.04672	0.4
269.22684	1.0
280.98456	0.3
287.05484	100.0
287.14005	1.9
287.23608	2.8
288.05878	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	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.02377	0.1
53.03932	0.3
55.01859	0.2
65.03925	0.3
67.01860	0.4
67.05470	0.1
68.99783	2.5
69.03416	0.2
70.30065	0.1
71.01355	0.1
71.02941	0.1
71.03281	0.1
79.05486	0.7
81.03417	0.4
81.07037	0.1
85.02906	0.1
86.09706	0.1
91.05473	0.3
91.05976	0.1
93.07031	0.2
93.36095	0.1
95.01315	0.1
95.04960	0.5
95.08578	0.1
97.02878	0.1
97.06525	0.1
103.05464	0.2
105.03382	1.1
105.04494	0.1
105.06995	0.1
107.04945	1.2
107.08579	0.1
108.08123	0.1
109.02856	0.8
109.10113	0.1
111.00789	1.7
111.04437	0.5
115.05421	0.3
117.07004	0.2
119.04919	0.2
119.08519	0.1
121.02855	7.4
121.03903	0.3
121.10079	0.1
123.04401	0.1
124.07591	0.1
125.02345	0.1
127.03882	0.3
128.06233	0.1
129.06987	0.5
131.04880	0.1
131.08557	0.1
133.02843	0.9
134.03603	0.1
135.04375	0.3
135.08049	0.1
136.07564	2.4
137.02324	2.6
139.05418	0.1
141.06961	0.2
145.02736	0.1
145.06458	0.7
147.04385	1.5
147.08040	0.1
151.03867	0.1
152.07063	0.2
153.01813	11.7
154.02170	0.1
155.04794	0.1
155.05951	0.1
157.06474	1.6
160.05217	0.1
161.02383	0.1
161.05925	0.6
163.59476	0.1
164.07043	1.6
165.01816	3.6
166.02454	0.1
169.06459	0.2
171.02968	0.1
171.04358	0.7
173.05939	0.2
173.11674	0.1
175.03900	0.2
175.07532	0.2
183.02872	1.8
184.05208	0.2
185.05951	1.3
188.04765	0.1
189.05469	0.2
194.02068	0.1
195.04274	0.1
197.05998	0.2
199.03867	0.2
201.05463	0.1
203.03351	0.2
203.07039	0.5
212.04744	0.1
213.05438	3.5
214.05894	0.1
216.04213	0.2
217.04883	0.2
218.61066	0.1
227.03394	0.1
229.04947	0.6
230.05574	0.1
231.04388	0.1
231.06493	1.4
231.08609	0.1
232.03960	0.1
241.04930	1.8
242.05611	0.1
243.06438	0.2
245.04410	0.2
258.05215	2.5
259.06000	1.0
263.05457	0.1
269.04514	0.4
270.05234	0.1
286.04724	0.1
287.05463	100.0
288.05814	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40290	0.1
53.03939	0.2
55.01864	0.3
55.05504	0.1
56.10963	0.1
57.03416	0.1
59.29134	0.1
65.03933	0.4
65.76780	0.1
67.01862	0.4
67.05496	0.3
68.99789	2.4
69.03419	0.3
69.07053	0.1
70.06580	0.1
71.01373	0.1
71.04985	0.2
71.59946	0.1
79.05492	0.7
80.05826	0.1
81.03394	0.4
81.07045	0.2
84.08138	0.1
85.02898	0.1
86.09654	0.1
89.03898	0.1
91.05471	0.2
93.07046	0.2
95.01350	0.1
95.04960	0.4
95.08627	0.1
96.02116	0.1
97.02881	0.1
97.06524	0.7
97.10082	0.1
98.98479	0.1
103.05445	0.2
105.03380	0.9
105.07016	0.1
107.04955	1.0
107.08627	0.1
109.02871	0.7
109.10140	0.2
111.00801	1.4
111.04457	0.4
115.05428	0.2
117.03365	0.1
117.07022	0.1
119.04934	0.2
119.08566	0.1
121.02865	6.1
121.03895	0.2
121.06501	0.2
121.10125	0.1
125.02347	0.1
127.03867	0.2
128.06230	0.2
129.01791	0.1
129.07051	0.4
131.04935	0.1
131.08603	0.1
131.71550	0.1
133.02855	0.9
133.10156	0.1
135.04398	0.9
135.08054	0.1
137.02342	2.3
139.05415	0.1
141.06990	0.3
145.06508	0.6
147.04401	1.4
151.03886	0.1
153.01825	11.6
154.02197	0.1
154.86172	0.1
155.04871	0.1
157.06491	1.3
159.11632	0.1
161.02344	0.1
161.05971	0.4
163.03929	0.1
165.01830	3.3
169.06462	0.2
171.02875	0.2
171.04401	0.6
173.05928	0.1
175.03868	0.2
175.07570	0.2
179.03394	0.2
183.02887	1.5
185.05963	1.1
189.05472	0.3
194.02072	0.1
195.13826	0.2
197.05989	0.3
199.03812	0.1
203.03423	0.2
203.07057	0.3
212.04616	0.1
213.05469	3.1
213.14870	0.1
216.04195	0.2
217.05026	0.1
229.04961	0.4
231.06516	1.1
241.04955	1.4
242.05644	0.2
243.06462	0.1
245.04445	0.1
258.05252	2.0
259.05969	0.8
263.05273	0.1
269.04459	0.4
270.05051	0.1
286.04572	0.1
287.05487	100.0
288.05823	3.2
288.08423	0.1
288.09158	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3102
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05506	0.3
57.05809	0.4
57.07076	6.5
57.28733	0.3
58.06609	1.5
62.06071	0.4
65.68790	0.2
68.36019	0.2
69.55949	1.3
69.56357	0.5
70.06590	1.3
71.08630	3.4
71.61165	0.3
72.08150	25.2
72.65494	0.3
85.10153	1.3
88.07624	2.0
90.09190	17.5
98.21489	0.4
100.20015	0.3
113.58873	0.2
115.73412	0.3
128.76370	0.3
136.78735	0.3
182.05270	0.3
212.23724	0.4
230.24826	1.2
242.28387	1.1
248.57793	0.3
286.31021	100.0
287.05469	0.6
287.31393	4.2
289.78137	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01869	0.2
55.05489	0.1
56.05017	0.1
59.90654	0.1
61.63359	0.1
65.03919	0.3
65.84949	0.1
66.83194	0.1
66.90934	0.1
67.01856	0.4
67.05472	0.2
68.99791	2.3
69.00355	0.1
69.03412	0.2
69.07061	0.4
69.20447	0.7
69.20853	0.2
70.06584	0.4
71.01339	0.1
72.08138	0.3
72.30482	0.1
72.92031	0.1
75.02522	0.1
79.05493	0.8
81.03405	0.3
81.07043	0.1
82.50144	0.1
84.04471	0.2
84.08165	0.5
84.08559	0.1
84.54189	0.1
85.02867	0.1
86.09700	0.9
91.05450	0.3
93.03428	0.1
93.07032	0.1
95.01360	0.1
95.04954	0.5
97.02890	0.1
97.06505	0.4
103.05466	0.2
105.03381	0.9
105.07042	0.1
107.04950	1.3
109.02867	0.8
109.10159	0.1
109.54236	0.1
110.07150	0.1
111.00803	1.4
111.04430	0.5
115.05448	0.2
117.06983	0.1
119.04916	0.1
120.08065	0.1
121.02863	6.6
121.03863	0.3
122.03222	0.1
127.03898	0.3
128.06203	0.2
129.06982	0.4
129.10216	0.3
132.05434	0.1
133.02852	1.0
133.06493	0.2
135.04405	0.4
136.07555	0.1
137.02330	2.3
137.05981	0.1
141.06984	0.3
145.06490	0.6
147.04419	1.5
151.03880	0.2
153.01822	11.4
154.02190	0.1
157.06479	1.5
159.11606	0.1
161.02271	0.1
161.05986	0.6
165.01831	4.0
166.02315	0.1
171.02983	0.2
171.04364	0.6
173.06055	0.1
175.03893	0.2
175.07559	0.1
179.03418	0.1
183.02863	1.9
183.04333	0.2
185.05975	1.1
189.05479	0.3
194.02092	0.2
195.13783	0.1
197.05975	0.3
199.03941	0.1
203.03427	0.2
203.07022	0.3
212.04666	0.2
213.05443	3.3
215.28140	0.1
216.04324	0.2
217.05005	0.2
219.06538	0.1
226.10802	0.1
229.04941	0.5
231.06509	1.5
241.04951	1.7
242.05704	0.1
242.11772	0.1
243.06499	0.1
258.05228	2.5
259.06021	0.9
269.04498	0.5
270.11267	0.2
287.05484	100.0
288.05832	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	286.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89934	0.4
55.01855	1.6
55.02979	0.4
55.05491	1.6
56.05007	0.8
57.03440	2.4
57.04537	0.7
57.05795	0.4
60.04504	0.9
60.05616	0.5
61.02901	0.9
68.04997	0.7
69.03435	2.2
69.07034	0.6
69.63125	2.9
70.02940	0.7
70.06586	25.2
71.01343	0.9
71.04979	0.5
71.94088	0.4
72.05611	0.4
72.08147	17.0
73.02917	2.2
74.06065	1.1
80.05016	2.7
81.03400	0.4
81.07044	0.6
82.04054	3.1
82.06566	0.9
83.06060	0.6
84.04497	3.0
84.05605	0.6
84.08131	5.8
85.02895	2.5
85.08386	0.4
86.09693	4.0
87.04450	0.4
88.03957	1.6
89.95094	0.4
91.05482	3.1
94.04029	1.1
94.06558	1.7
95.04971	1.0
95.06104	0.4
96.04479	0.8
97.02867	1.5
98.03516	0.7
98.06021	0.7
99.06660	0.9
102.05503	0.4
104.04993	0.5
105.66798	0.4
106.06553	0.9
107.04894	0.6
109.04411	0.8
109.05120	14.9
110.03511	3.1
110.06012	0.7
110.07154	2.7
111.06670	1.1
112.05074	3.1
112.07585	4.9
112.08721	1.2
112.96710	0.7
114.24027	0.4
115.03916	0.6
116.07082	23.7
119.03548	2.7
119.04929	1.3
120.05692	0.8
121.05126	2.1
122.06035	2.2
123.04402	4.0
123.06634	0.7
124.03939	3.4
124.07565	1.0
124.98530	0.4
125.00513	0.5
125.04569	1.1
125.06961	1.3
126.05378	1.1
126.07755	28.1
127.06145	5.7
128.04553	1.2
129.10222	1.8
130.04996	1.2
132.04463	0.7
133.05005	1.4
134.05948	0.8
135.04414	0.9
136.06166	13.4
136.07520	0.6
137.04578	38.1
137.05920	3.7
137.06807	0.9
138.07721	6.4
139.06139	0.5
140.07033	3.3
143.11812	3.4
147.04387	0.5
148.06180	0.9
148.07491	0.7
149.97166	0.4
150.05472	4.7
150.07678	2.1
151.02084	1.2
151.06187	1.5
152.05716	1.1
152.07042	0.9
153.03677	1.0
153.10118	0.4
154.07224	100.0
155.05653	2.2
155.07605	0.5
156.07669	0.5
156.08768	0.6
158.06624	0.5
158.98634	0.4
161.04608	0.4
162.07686	0.7
163.12178	0.4
164.05688	0.8
164.06943	0.6
165.05505	1.3
165.07845	5.2
166.03224	10.3
166.07225	2.0
168.02470	0.6
168.08821	1.1
171.11292	3.0
173.09216	1.5
175.98830	0.5
176.09344	0.5
177.06577	0.5
178.07210	1.0
180.10117	0.8
180.99258	0.6
181.03163	1.2
181.04907	0.9
181.09727	0.8
182.05338	1.5
185.09203	1.2
186.07750	0.9
187.10748	3.8
196.08304	3.6
197.46175	0.4
198.05832	1.7
199.00404	0.5
204.08817	2.7
207.04727	2.3
211.07765	0.5
220.08258	0.4
222.09865	0.8
224.07529	0.8
226.09351	2.1
227.10205	0.6
232.08319	1.2
241.08888	0.5
250.09381	1.3
253.05325	1.1
257.08142	0.9
258.11954	1.5
268.10245	3.8
269.08310	1.0
270.07968	1.6
286.11404	25.8
286.15009	1.8
286.17694	1.1
287.10605	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	286.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05493	1.1
55.93531	0.7
56.05027	1.9
56.81599	0.7
56.96557	0.7
58.99573	2.4
63.31138	0.8
65.30657	0.6
67.05505	1.5
69.07067	1.3
69.81288	2.6
69.81696	1.1
70.02955	0.8
70.06590	45.5
72.08154	4.8
74.06057	0.9
76.02222	5.5
79.05492	1.5
80.05018	7.6
82.06563	1.1
84.04506	4.6
84.08135	9.6
85.02905	1.0
86.06032	0.9
86.09705	12.0
86.81627	0.7
86.99038	1.5
88.03976	1.6
91.05479	4.2
93.07066	0.9
94.06575	4.5
95.04969	16.6
96.08119	0.9
103.05473	1.3
104.04972	0.8
105.00082	2.4
107.04951	1.0
110.06026	1.3
110.07162	3.5
112.05079	1.6
112.07590	1.2
114.05486	0.8
116.07106	5.6
119.04924	2.2
121.06504	2.1
122.02724	25.5
122.06021	5.8
123.04426	100.0
124.03927	4.2
124.04720	1.0
129.10223	3.3
130.05009	2.7
132.04451	1.8
134.05995	0.8
135.04404	1.9
136.07562	1.9
137.05946	4.5
140.07076	0.9
141.10257	3.5
143.11861	1.6
147.04391	0.7
148.07538	1.6
150.05508	11.6
151.06265	2.8
152.07091	1.7
154.06084	0.8
155.17116	0.7
164.07031	0.8
165.05478	35.5
166.03250	1.7
166.05847	0.8
169.09729	3.8
173.09203	1.0
179.27509	0.8
181.04959	2.0
181.09627	1.0
182.05295	2.2
183.11403	1.0
183.14946	2.0
185.09265	2.0
201.08687	1.3
215.13922	11.2
223.07442	1.6
230.08194	1.1
237.02808	0.7
240.13606	1.0
241.08571	1.3
241.26830	0.7
250.14542	1.6
257.08124	1.6
268.09705	2.0
268.15512	3.5
269.08139	1.6
286.07114	6.1
286.10782	10.6
286.17343	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	286.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49481	6.9
69.96161	11.7
70.06583	28.5
71.44862	14.5
71.94083	31.0
72.08150	22.0
73.02946	11.6
80.05004	12.4
80.06343	6.9
84.04485	9.0
84.08114	12.1
89.95120	18.5
91.05468	23.2
100.61299	6.8
106.06542	30.7
107.04953	58.2
112.19907	6.8
112.96719	37.5
119.04897	25.0
122.06064	7.8
123.04426	9.8
124.07581	17.0
131.96111	12.2
134.06018	13.0
135.04416	37.8
137.05003	12.6
137.05968	100.0
149.97214	15.1
150.05431	8.2
152.07062	78.6
153.05467	19.0
157.97719	11.8
160.03790	7.2
175.98756	25.0
177.96613	9.5
180.93137	7.8
241.46263	7.7
286.12830	30.8
286.18631	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	286.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11253	7.6
55.01900	7.0
59.52455	7.5
60.47810	8.0
66.52137	7.9
69.62202	20.3
69.62608	47.5
70.06592	100.0
70.88509	8.7
72.08159	38.1
80.05010	27.8
84.04514	11.3
84.08138	15.9
86.09704	33.2
91.05495	19.5
94.06571	14.0
100.03930	12.7
106.06547	39.2
107.04958	35.9
110.06005	11.1
110.07165	21.4
112.07627	16.0
114.05508	9.0
116.07090	54.3
119.04966	8.9
122.06007	20.5
123.04449	23.8
124.07614	30.5
131.01836	10.3
134.05994	11.9
135.04410	33.6
137.05974	70.0
143.11752	11.1
150.05499	49.5
151.06306	8.6
152.07077	71.9
165.05405	9.5
165.07880	12.0
173.09212	30.4
181.05110	9.1
185.09187	76.6
195.08044	8.6
276.49207	9.2
286.10550	22.1
286.15262	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01867	3.3
55.05274	0.8
55.05512	9.3
56.05012	0.8
57.03435	9.8
62.12974	0.7
65.00522	0.8
65.03941	0.9
66.20399	0.7
67.05499	16.6
69.03429	2.8
69.07069	4.8
69.54662	5.9
70.06585	4.2
71.04990	3.3
72.08148	2.5
79.05489	16.2
79.05930	1.7
80.04996	0.9
81.03416	100.0
81.07053	13.2
83.04971	6.4
83.08614	20.9
84.08150	2.1
85.02892	12.3
86.09705	3.3
89.91775	0.8
91.05479	18.8
93.07029	9.8
95.04962	28.2
95.08598	5.7
97.02872	1.8
97.06524	2.5
97.10172	1.7
98.09674	0.9
98.21520	1.5
98.98482	1.1
99.04453	0.8
99.08115	0.9
103.05454	1.7
105.07013	12.1
107.04926	6.4
107.08585	5.5
109.06534	3.8
109.10162	1.5
110.07173	1.2
111.04446	2.1
111.07366	1.3
111.08079	11.3
115.05448	1.1
117.07032	1.5
119.04946	1.3
119.08586	11.7
120.08089	1.1
121.06503	1.1
121.10146	5.8
122.06074	1.1
123.08062	1.5
123.11716	1.4
126.09125	1.2
129.07010	7.4
131.04942	1.8
131.08563	7.5
133.06494	4.1
133.10130	6.4
135.07983	0.8
137.05971	1.8
137.09560	1.0
138.03105	1.3
142.07764	2.9
145.10086	1.5
147.08034	2.8
147.11664	7.9
149.09593	5.5
149.13161	1.0
150.05565	1.1
151.03954	1.0
157.10110	10.8
157.16339	1.0
159.11578	0.8
165.01912	1.1
165.07013	1.2
165.12723	1.9
175.11168	13.4
181.04944	13.7
193.12239	47.4
199.14787	1.7
211.13260	12.1
225.09138	1.9
253.08652	2.1
257.08148	1.4
267.15891	12.4
268.09705	1.5
285.07578	2.5
285.11389	7.2
285.16772	8.4
285.22131	2.4
286.11011	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	285.2421
Annotation	Tanikolide
Peak:m/z	Relative Intensity
50.43768	1.1
53.03926	1.6
53.96508	1.3
55.05304	1.1
55.05510	10.8
57.03438	25.3
57.07074	66.3
60.04528	1.1
63.00063	1.6
67.05504	17.6
69.07072	15.5
71.05000	1.3
71.08630	43.7
71.51663	2.0
72.08123	1.5
79.05492	2.8
81.07059	18.8
83.04964	1.3
83.08631	9.1
85.06541	1.8
85.10181	20.7
89.06033	2.8
91.05476	2.1
93.07024	2.7
95.04961	3.4
95.08607	30.8
97.10183	8.0
99.11738	2.3
103.05469	6.3
103.07560	4.3
105.07038	2.1
107.08540	1.6
108.24712	1.1
109.10160	14.7
111.11736	3.4
117.06995	1.6
121.10130	1.6
123.11665	5.9
125.06016	1.4
131.04951	6.8
133.10156	1.3
137.13248	4.4
138.03105	3.7
145.10182	1.6
151.03876	2.3
154.43336	1.2
159.11716	1.7
166.02599	2.0
171.11797	1.7
181.04948	90.2
182.05290	3.4
184.03618	3.5
211.20558	7.4
225.09222	1.5
229.21573	7.5
242.05910	1.4
243.10371	1.4
253.08626	2.5
270.05194	1.9
285.07617	8.2
285.11276	21.7
285.24252	100.0
285.29712	5.7
286.24692	1.4
286.30875	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.01867	5.2
55.05509	14.6
57.03436	24.1
62.56484	2.2
63.00030	4.4
63.98779	2.2
65.03914	3.7
67.05512	20.5
69.03436	2.6
69.07058	8.4
70.06601	2.8
71.04969	6.9
71.51799	3.0
72.08157	2.0
78.81832	2.1
79.05482	22.2
81.03414	60.7
81.07056	24.5
82.46079	2.0
83.04965	10.7
83.08611	19.1
84.08121	2.2
84.42313	1.8
85.02901	36.8
86.85625	1.9
91.05473	24.6
93.07056	16.0
93.15688	2.2
95.04963	25.8
95.08591	10.1
97.02878	3.1
97.06541	5.2
97.10160	2.3
98.98463	3.6
103.05453	7.1
105.07011	18.5
107.04928	5.7
107.08584	7.3
109.06480	4.6
109.10183	3.7
111.04399	2.3
111.08090	11.0
113.05978	4.1
119.08567	16.4
121.10114	8.5
123.04406	2.8
123.08073	2.8
129.07013	8.4
131.04912	9.9
131.08557	9.6
133.10100	9.4
137.09541	2.3
142.07707	2.6
143.08594	2.9
145.10135	2.7
147.11668	13.9
149.09547	4.1
150.05504	3.9
151.07408	2.5
157.10112	10.2
165.12762	4.5
166.02582	3.8
169.10236	2.6
175.11171	15.2
181.04950	100.0
184.03638	2.7
193.12241	58.5
211.13289	37.7
211.15094	4.3
241.15865	2.9
245.10175	2.1
253.08549	5.7
267.15866	6.4
285.07700	7.2
285.11182	34.9
285.16666	34.7
285.22119	4.9
285.29700	4.5
286.10812	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14644	1.8
53.03936	5.0
55.01861	3.9
55.05507	11.3
56.96552	1.9
57.03430	7.0
57.07082	1.7
63.00040	12.2
65.03926	2.3
65.79498	1.6
66.49608	1.3
67.05502	15.2
69.03433	3.0
69.07059	4.9
70.06596	2.5
71.05001	3.1
71.55666	2.0
79.05490	14.2
80.05017	2.6
81.03415	100.0
81.07053	21.1
83.04974	6.6
83.08613	19.9
84.08134	4.3
85.02899	3.9
85.06532	2.0
91.05476	22.5
93.07028	9.0
94.06524	1.8
95.04962	29.5
95.08598	5.7
97.02876	2.2
97.06505	2.1
97.10164	1.5
98.98470	9.7
103.05462	6.9
105.03368	6.2
105.07024	13.5
107.04969	7.8
107.08591	6.1
109.06506	3.2
109.10154	2.2
111.04408	2.0
111.08088	10.3
113.06014	1.6
115.05389	1.9
117.06998	3.7
119.08562	11.8
121.06549	4.1
121.10143	6.1
122.06015	2.6
123.11726	1.5
124.99965	2.8
129.07021	8.2
131.04915	9.0
131.08533	7.7
133.06514	3.4
133.10110	7.1
135.04398	1.8
137.05972	2.2
138.03065	2.3
139.07626	1.6
145.10110	4.0
145.91789	1.6
147.08032	3.0
147.11684	6.5
149.09644	5.5
150.05476	3.7
151.06267	2.4
151.07506	2.7
157.10123	13.6
159.11700	2.2
160.97603	2.4
161.05948	1.7
163.07555	2.0
165.07025	2.9
165.12756	2.4
174.99011	2.4
175.11194	9.4
179.07004	2.4
181.04947	64.4
184.03632	2.5
189.00568	4.6
192.04169	2.0
193.06461	2.0
193.12245	45.0
203.02118	2.3
207.06523	35.1
211.13254	5.0
221.05937	2.2
222.96959	3.7
225.08980	2.3
242.05812	2.7
243.10435	1.7
253.08644	4.0
267.15851	10.5
285.07614	4.1
285.11276	17.5
285.16852	2.5
285.19006	2.0
285.22122	4.7
285.25168	3.4
286.10831	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38654	1.8
53.03939	5.2
55.01866	7.1
55.05509	31.5
57.03161	3.1
57.03433	50.8
57.07071	2.2
65.03934	4.5
67.05136	2.3
67.05502	44.5
69.03432	6.5
69.07075	13.2
69.93424	4.4
69.93836	6.0
70.06602	9.5
71.01366	1.6
71.04981	10.5
72.08143	5.6
73.16952	1.7
77.88809	1.5
79.05485	43.8
79.60881	1.7
80.04960	2.2
81.03413	100.0
81.07054	56.3
81.53510	1.8
83.04965	20.5
83.08620	39.2
84.04490	6.2
84.08126	4.4
85.02901	72.2
85.04891	1.9
85.06561	2.8
86.09693	7.2
87.10004	1.8
91.05476	57.2
93.07037	34.0
93.07633	1.7
94.06642	3.0
95.04958	47.4
95.08611	17.6
97.02883	2.5
97.06514	11.3
97.10193	5.7
98.21449	2.2
98.97495	2.0
99.08025	2.3
103.05466	5.2
105.07026	40.4
107.04959	11.6
107.08579	13.3
109.06541	8.6
109.10155	4.5
111.04446	5.9
111.08077	21.9
113.05997	6.6
113.17720	2.1
115.05431	3.0
117.06990	5.1
119.04971	4.2
119.08578	33.0
120.08129	7.5
121.06485	4.0
121.07507	1.7
121.10138	12.7
122.06016	3.4
123.08066	4.8
123.11716	4.7
125.06011	2.2
128.06238	1.7
129.07010	15.4
129.10240	2.4
131.04907	4.3
131.08559	16.8
132.84418	1.7
133.06474	7.0
133.10126	20.4
137.05949	4.9
137.09599	4.1
142.07751	3.5
143.08511	2.1
145.10100	3.9
147.04428	2.6
147.08096	4.2
147.11673	26.1
149.09599	7.6
149.32622	1.9
150.05490	4.4
151.06198	1.9
157.10115	24.7
165.07025	4.1
165.12784	7.1
165.67084	1.7
166.08698	2.3
175.11183	26.7
181.04964	39.6
181.06435	2.7
184.03549	2.0
193.06508	3.6
193.12230	85.5
210.06827	3.1
211.13274	48.0
225.09163	6.3
227.07028	2.6
229.14503	2.2
239.07072	2.3
253.08592	4.8
259.08432	2.3
267.15970	6.8
268.09631	2.6
269.08273	2.1
273.88272	1.8
285.07709	3.5
285.11530	19.3
285.16925	54.7
285.21677	2.4
286.10767	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	284.0987
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.59427	0.1
54.91896	0.2
55.01874	2.2
56.89450	0.1
57.03419	0.4
65.03922	0.5
67.05505	0.4
69.03431	0.2
70.06600	0.9
70.72070	0.5
70.72428	0.2
70.91113	0.2
71.01330	0.2
79.05476	1.5
85.02892	0.3
88.35099	0.2
91.05509	0.2
93.03407	0.5
94.06569	2.3
95.04963	0.6
98.20805	0.2
107.04951	0.2
109.05109	0.6
110.03525	2.3
110.07156	0.3
111.04440	1.6
116.07076	0.2
119.05016	0.2
122.06036	1.3
123.04475	1.2
128.04558	1.1
132.04457	0.4
134.04561	0.2
135.03014	4.3
136.06146	0.2
137.05951	0.5
139.03894	4.5
141.10223	0.2
150.05527	1.8
152.05670	100.0
153.04080	6.7
153.05458	0.2
153.06067	0.6
163.37994	0.2
169.09724	0.3
174.65898	0.2
284.09595	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	284.1279
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
51.02378	0.3
52.69252	0.2
53.03933	1.1
55.01842	0.2
55.05496	0.3
65.03913	0.5
69.07061	0.3
69.44674	0.2
69.86486	1.1
70.06570	1.2
72.08149	0.6
77.03915	0.3
84.04501	0.3
84.08118	0.3
86.09695	2.6
91.05477	12.4
93.07040	8.4
95.04969	2.4
103.05460	7.2
104.05819	0.2
105.04520	0.5
107.04970	0.3
110.07176	0.5
112.08776	0.3
119.04939	22.0
120.08082	1.4
121.06499	45.2
122.06808	0.6
134.06056	0.2
138.09143	0.3
143.11777	0.5
147.04402	100.0
148.04742	1.9
164.07091	1.4
181.04900	0.4
190.08617	0.3
238.48038	0.2
253.93906	0.2
284.12796	14.3
284.29428	0.5
285.12982	0.5
290.69067	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.128
Annotation	N-P-Coumaroyltyramine
Peak:m/z	Relative Intensity
51.02363	0.3
53.03951	1.4
53.59160	0.2
55.01865	0.3
65.03946	0.6
69.93378	1.2
70.06570	0.3
72.08138	0.3
79.05503	0.3
81.03425	0.3
84.08158	0.5
86.09703	0.4
91.05479	12.6
93.07044	9.1
95.04967	2.5
103.04807	0.4
103.05469	7.2
105.04510	0.4
110.07151	0.2
119.04941	19.3
119.08555	0.2
121.06503	44.9
122.06813	0.7
147.04408	100.0
148.04752	2.2
164.07066	1.5
181.04967	0.6
184.99133	0.2
215.09341	0.4
256.79938	0.2
284.12817	17.1
284.29489	0.5
285.13077	0.5
304.13913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03941	1.4
55.01870	0.5
55.05502	0.3
56.05022	0.3
57.07076	0.2
65.03934	0.6
67.05495	0.7
70.06577	0.6
71.33573	0.4
72.08158	0.3
77.03907	0.3
79.05479	0.7
81.03425	0.8
81.07059	0.8
83.04955	0.3
84.04528	0.2
84.08143	0.5
85.02867	0.3
86.09706	0.9
88.82626	0.2
91.05481	13.0
93.07043	8.9
93.07642	0.4
95.04974	2.6
103.05460	6.7
105.04520	0.5
105.07013	0.6
107.04945	0.3
107.08586	0.3
110.07156	0.4
111.04423	0.6
111.08089	0.3
119.04939	21.6
120.05263	0.2
120.08116	0.4
121.06500	45.0
122.06839	0.6
129.06940	0.3
131.04932	0.2
133.10081	0.2
137.05965	0.3
138.09157	0.4
147.04404	100.0
148.04771	1.6
152.05717	0.2
154.13025	0.3
159.11754	0.2
161.05998	0.2
164.07074	1.8
164.11453	0.3
181.04927	1.4
181.06349	0.2
190.08665	0.2
253.08784	0.2
274.03519	0.2
280.73886	0.2
284.09494	0.6
284.12814	16.7
284.15567	0.7
284.29437	1.7
285.07773	0.3
285.10889	0.4
285.13382	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	285.0829
Annotation	Xanthosine
Peak:m/z	Relative Intensity
55.01877	4.9
55.03004	1.3
55.05506	1.4
56.05053	1.0
56.96549	1.7
57.03440	9.3
59.04978	1.2
60.04511	1.7
61.02907	3.1
67.05463	1.3
69.03417	3.4
70.06586	10.9
71.01337	3.6
71.50005	1.6
72.08135	2.9
73.02900	4.7
74.06075	2.0
75.89399	1.0
80.05006	2.0
83.06083	1.9
84.04499	2.8
84.08147	7.4
85.02888	4.6
86.09680	2.5
87.90286	1.0
88.03950	0.9
91.05485	3.0
94.06554	3.5
97.02888	3.0
98.06013	1.1
103.03944	1.4
110.03513	9.8
110.07146	7.7
112.07565	1.7
115.03938	3.6
116.07072	1.5
119.04922	1.1
120.08064	1.8
122.06024	1.9
126.07794	1.3
129.10234	2.3
131.04904	2.2
133.04948	6.7
134.05965	2.2
136.01404	9.3
136.06171	1.9
136.07524	2.2
137.05914	1.0
139.03879	1.5
140.07050	1.3
150.05481	4.5
151.06078	1.2
152.05638	4.2
152.06931	2.0
153.04071	100.0
153.06071	4.0
154.02466	11.0
154.07253	1.5
181.04964	19.6
205.79932	1.0
235.41431	1.1
253.08615	1.6
257.13138	1.0
268.09793	1.1
268.97641	1.1
285.07864	2.3
285.11292	7.4
286.10999	1.3
286.17654	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	284.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53489	0.2
64.67989	0.2
71.08616	0.2
71.16811	0.5
71.61079	0.2
84.08122	0.2
100.16652	0.2
101.00869	1.4
110.07178	0.4
110.19863	0.2
116.95828	0.3
118.98030	0.2
119.01918	6.0
134.99844	0.4
137.02953	1.7
153.00966	0.2
158.99902	0.6
167.88652	0.2
167.98718	0.2
177.00952	14.5
178.01070	0.7
179.00772	0.7
182.99982	0.5
193.04033	0.3
195.02052	0.5
200.02524	0.4
201.01009	0.6
217.04080	2.4
218.03528	0.3
219.02002	21.3
220.02051	1.2
221.01715	2.8
225.00787	1.8
232.01929	0.2
236.00125	0.3
237.98813	0.3
240.05617	0.3
242.03676	0.8
243.01941	5.9
244.02127	0.2
258.06787	0.5
260.00259	0.5
260.04614	0.7
261.03055	100.0
262.03156	3.8
263.03415	0.3
266.03525	0.3
275.04755	0.2
278.01138	0.7
279.02280	0.5
284.00018	0.9
284.04706	5.7
284.29599	0.4
284.99808	0.4
285.04944	0.2
302.01068	2.4
302.05679	1.2
303.00952	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	284.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01870	35.1
57.07076	1.0
63.00021	1.6
64.75746	1.1
65.03934	8.1
66.44843	1.2
67.05515	7.5
68.05022	3.1
69.77139	7.0
70.06587	3.4
71.01344	3.7
77.03961	1.3
79.05491	30.2
80.05001	3.3
84.08139	1.7
85.02888	1.1
93.03392	8.7
94.06565	57.5
95.04961	16.2
98.20820	2.2
99.00822	1.9
104.04978	5.6
105.03379	2.4
107.04961	4.0
110.07159	10.1
111.04441	50.2
122.06015	22.6
123.03584	2.0
123.04424	25.8
131.03996	1.2
131.04962	1.7
132.04475	4.7
134.05988	2.1
136.06169	4.7
137.05946	2.1
137.07893	1.3
139.03897	100.0
149.06987	1.4
150.05502	33.6
151.03917	2.3
152.05672	40.6
153.04083	2.5
158.45691	1.2
181.04947	3.8
188.24016	1.2
190.95793	1.1
256.09720	1.5
266.08685	1.7
284.09918	3.8
284.29419	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	284.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
55.01872	8.7
55.05490	2.5
57.03426	6.5
61.02915	6.8
67.05501	3.8
68.99775	2.7
69.03427	33.8
69.07047	3.5
69.21223	8.8
69.21665	9.0
71.04971	5.4
71.13087	1.9
73.02901	12.3
76.04006	3.6
81.03423	28.9
81.07047	3.5
85.02901	97.4
87.00304	3.2
87.00827	39.0
87.04465	2.2
91.03915	4.1
91.05484	2.4
93.07034	2.4
97.02888	55.1
99.04462	15.8
105.01864	52.1
108.04450	7.0
109.02880	29.3
109.10107	1.8
117.01836	4.7
123.02837	2.0
126.05526	4.8
127.03914	100.0
129.01799	6.5
145.04958	73.9
147.02864	3.5
147.04453	2.0
159.02867	23.1
181.04976	10.0
190.26572	1.9
192.68880	2.1
213.03951	6.1
230.06490	3.0
231.04979	25.5
248.07655	4.8
249.06133	6.8
284.09753	3.9
284.29462	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	283.2265
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
53.03936	2.7
55.01872	1.9
55.05508	65.9
57.03158	2.1
57.03431	27.9
57.07072	28.1
65.03951	1.3
67.05501	11.9
69.07063	89.6
71.04984	1.3
71.08626	7.3
71.51464	2.0
71.51842	2.1
73.02901	1.6
79.05457	6.5
81.07049	11.6
83.04967	1.9
83.08611	58.7
85.10194	5.3
89.06025	2.4
91.05476	2.9
93.07028	10.5
95.08614	13.1
97.06538	7.5
97.10162	38.6
105.07027	5.6
107.08571	8.2
109.10146	7.9
111.08121	3.6
111.11706	15.5
115.10453	1.4
119.08605	4.8
120.61783	1.3
121.06505	1.7
121.10141	13.7
125.09676	1.5
125.13291	2.8
131.08603	2.2
133.08704	1.5
133.10120	2.6
135.11697	5.8
139.11226	2.2
143.08560	1.7
143.73093	1.3
145.10112	3.4
147.11737	1.9
149.13298	2.2
155.08580	1.6
157.10144	4.4
159.11725	2.4
161.09669	2.2
167.66086	1.4
173.13300	5.3
179.24770	1.2
185.13208	1.3
191.17978	3.0
209.13298	2.6
213.86195	1.3
223.94572	1.4
265.19516	3.5
283.09659	1.5
283.22778	100.0
284.12851	1.6
284.29852	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	283.2052
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
52.86970	2.2
55.01844	3.8
55.05506	21.5
57.03432	6.2
57.07051	9.7
65.03897	2.6
67.05197	3.4
67.05499	44.4
69.03417	6.0
69.07063	23.3
71.04966	7.2
71.08603	3.2
71.33116	3.9
79.05496	31.6
81.06608	4.4
81.07050	55.7
82.96967	2.3
83.04953	4.8
83.08614	19.8
85.06538	3.6
89.06018	3.0
91.05477	33.0
93.06509	3.1
93.07041	60.0
95.04931	8.6
95.08604	41.1
97.06503	6.7
97.10133	10.1
105.07026	34.9
107.08576	37.8
109.06483	9.5
109.10119	18.5
111.08053	4.3
111.11658	2.8
117.06980	11.5
119.08573	35.5
121.06458	9.8
121.09366	2.8
121.10149	36.8
123.08051	3.1
123.11667	6.4
129.06961	6.2
131.07774	3.1
131.08568	38.2
133.10094	18.3
135.08000	9.5
135.11649	9.8
137.13257	2.9
142.07741	5.3
143.08528	14.8
144.09274	3.2
145.10132	30.0
146.07098	2.7
147.11687	15.7
149.13171	4.5
155.08498	8.2
156.09297	5.3
157.10124	20.8
158.10873	6.8
159.08002	9.0
159.11649	10.6
161.09639	19.3
161.13165	3.9
163.11139	4.7
163.14790	6.5
165.06931	2.9
169.10101	4.6
171.07950	3.5
171.11656	12.0
172.08772	3.3
173.09500	4.4
173.11807	4.5
173.13266	91.9
175.11035	3.1
175.14772	10.1
179.08528	5.1
181.10088	6.5
183.11604	9.8
185.09608	4.5
185.13264	14.6
187.11081	5.0
187.14732	7.0
189.12611	3.0
191.14299	18.7
193.10031	4.6
194.10910	6.6
195.11649	7.9
197.13130	5.7
199.11171	4.9
199.14775	9.3
201.12605	3.2
207.11523	3.2
208.12344	4.7
209.13266	22.5
212.11789	3.9
213.01305	2.7
213.12698	7.8
213.16222	4.8
223.14764	13.3
225.16313	6.4
227.14278	9.0
235.14655	2.6
237.16301	3.8
239.17899	4.1
244.08920	2.6
249.98622	2.7
255.21027	7.0
265.19583	37.6
283.09732	2.8
283.20453	100.0
283.23468	6.0
283.28174	8.9
284.20721	3.9
284.29526	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01872	4.5
55.05506	12.5
56.88141	0.6
57.03429	12.8
57.07063	1.1
59.63488	0.6
61.07292	0.6
67.05502	22.0
69.03410	1.9
69.07064	8.6
69.50323	5.0
70.06580	1.1
71.04982	2.9
72.08130	0.8
73.02900	1.8
79.05492	30.7
81.03417	4.2
81.07050	21.9
83.04971	5.2
83.08615	11.1
84.08144	0.9
85.06549	1.4
86.09687	1.1
91.05476	9.3
93.07038	46.1
95.04961	8.8
95.08602	43.6
95.58334	0.7
97.02880	3.9
97.06533	5.3
97.10146	0.8
99.04465	3.9
103.05458	1.3
105.07028	10.5
107.04948	10.4
107.08590	27.1
109.06527	3.2
109.10155	3.6
110.07136	0.7
111.04446	2.6
111.08068	1.7
113.05973	1.0
113.09640	1.0
115.05427	0.9
117.07011	9.5
119.08576	12.7
120.08089	2.2
121.02847	2.8
121.06512	6.9
121.10139	14.9
123.08086	1.0
123.11670	1.1
125.05961	3.9
127.07484	0.7
129.07036	0.9
130.07796	1.8
131.04944	0.8
131.08563	1.6
133.10147	3.3
135.08052	2.2
135.11684	48.8
136.12074	0.7
138.06305	0.9
139.07512	2.7
143.08560	1.5
145.06497	0.8
145.10117	33.0
146.10489	1.0
149.13248	1.1
153.12671	1.1
155.08611	1.5
163.11172	72.1
164.11545	0.8
167.03403	2.1
173.09689	1.2
175.11169	0.8
181.12230	17.4
191.10719	0.7
192.08957	0.9
195.07977	0.9
209.11792	1.9
220.08354	0.8
227.12770	100.0
228.13109	2.6
233.29459	0.7
247.06020	1.2
283.09955	2.5
283.15378	21.6
297.01862	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
53.14788	1.0
55.01862	5.0
55.05507	12.3
57.03434	11.2
57.07067	2.1
57.18432	1.1
65.03927	1.5
67.05504	20.2
69.03417	2.6
69.07065	8.5
70.70942	3.3
71.04989	4.4
72.06112	1.1
79.05020	1.5
79.05489	31.0
81.03433	2.0
81.07050	23.6
83.04977	4.6
83.08612	6.7
89.06007	2.6
91.05483	11.9
93.07040	43.0
95.04974	8.5
95.08603	42.9
97.02882	3.5
97.06525	4.5
99.04450	6.0
103.61186	1.0
105.07027	7.9
107.04961	13.6
107.08585	30.0
109.06491	2.1
109.10146	2.3
109.85707	0.9
111.04444	3.0
111.08117	1.8
113.05987	1.9
117.07016	11.8
119.08587	12.0
121.02885	1.4
121.06505	8.8
121.10135	15.0
125.06019	2.9
129.06964	1.2
130.07808	2.9
131.08556	1.4
133.10143	3.5
135.08041	3.7
135.11679	53.5
139.07526	1.8
145.10115	31.6
159.59093	1.1
163.11171	72.5
164.11626	1.2
172.12634	1.1
173.09602	1.3
181.12221	14.5
187.47081	1.1
209.11661	1.3
209.13406	1.5
222.10255	1.1
227.12761	100.0
228.13048	1.8
247.23979	1.1
283.15369	23.4
283.20438	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44755	2.0
55.01863	6.4
55.05523	12.5
57.03426	11.7
57.07054	8.7
58.73684	2.2
67.05502	27.4
69.07069	15.0
71.04966	5.1
71.07605	3.8
71.08631	5.6
79.05482	28.7
79.99876	2.1
81.03419	4.2
81.07055	28.3
83.04960	3.3
83.08595	9.4
91.05479	13.7
93.07043	41.8
95.04967	11.5
95.08611	37.9
97.02898	5.7
97.06522	5.9
97.10156	4.5
99.04450	5.9
105.07034	10.8
107.04958	12.4
107.08601	26.9
109.06505	3.3
109.10117	2.3
111.04388	3.0
117.07008	11.2
119.08617	12.5
121.06516	7.2
121.10133	16.3
123.08022	2.8
123.95422	2.3
131.08527	4.7
133.10126	4.3
135.10706	4.2
135.11684	52.2
145.10121	29.9
163.11169	69.7
172.95134	2.2
173.09555	2.8
181.12225	16.3
191.10649	3.0
209.11728	2.3
227.12764	100.0
251.23528	2.4
265.19437	2.8
265.93704	2.2
269.38293	2.3
283.10007	3.8
283.15378	29.5
283.20496	6.4
283.26328	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	282.1698
Annotation	Naramycin B
Peak:m/z	Relative Intensity
55.05496	0.4
58.06589	0.6
59.45855	0.4
61.22637	0.3
69.03404	0.5
69.07064	0.4
70.06593	0.5
71.47411	0.8
72.08138	0.5
74.06062	0.4
74.90308	0.3
81.07038	1.0
84.04468	0.4
84.08112	1.2
88.07629	0.3
96.39971	0.4
98.09684	0.5
107.04914	0.4
110.05994	0.6
110.88403	0.3
119.04911	0.6
120.08071	0.8
123.04409	1.0
128.06189	0.4
129.10222	0.5
130.06563	0.4
131.04932	0.5
131.08543	1.4
133.06439	0.5
136.06125	0.6
137.05945	0.7
138.05484	0.5
143.08528	1.2
145.06470	1.0
148.05202	0.5
148.14812	0.4
149.05956	2.7
150.06699	0.8
150.07765	0.8
153.05365	0.4
154.07671	0.4
159.08015	1.5
160.05128	1.0
161.05983	3.0
162.06711	1.5
163.07526	0.5
164.07076	0.5
165.07866	0.5
166.08611	0.9
169.10043	0.6
171.08035	1.5
173.05984	0.7
175.07509	0.5
176.07057	5.5
177.07742	2.1
177.09148	1.9
178.08601	0.7
184.74875	0.4
187.07607	0.6
187.11209	0.9
189.09082	4.0
190.08629	2.4
191.09396	57.3
192.09935	1.0
197.09615	0.5
203.10626	0.5
205.11003	3.2
206.11757	11.1
207.12114	0.4
207.42442	0.4
215.10649	1.2
220.13313	100.0
221.13608	2.0
233.11725	0.6
259.08469	0.3
264.15942	21.2
282.16980	54.4
283.17303	1.1
300.06293	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.6
55.01852	7.3
55.05508	19.2
57.03432	15.0
57.07066	7.9
67.05500	29.9
69.07067	21.1
69.35902	10.0
69.36327	13.7
71.04964	3.2
71.08626	3.6
77.03913	2.4
79.05484	34.4
81.03416	5.4
81.07056	31.8
83.04963	7.7
83.08627	12.5
87.75731	2.5
89.05999	15.7
91.05457	21.0
93.07040	53.8
95.04940	11.3
95.08601	51.0
97.02889	8.9
97.06522	6.3
97.10168	4.5
98.20847	6.8
99.04455	4.8
105.07030	14.0
107.04948	15.9
107.08581	42.0
109.06547	4.8
109.10152	7.5
111.04419	7.6
111.08012	4.2
113.05961	2.8
117.06983	14.7
118.89719	2.4
119.08572	18.2
121.06470	8.2
121.10165	20.9
125.05987	8.3
130.07828	2.5
131.08505	4.5
133.08591	6.5
133.10107	5.6
135.08084	3.8
135.11682	65.5
145.06488	3.2
145.10109	35.9
149.09622	3.0
163.11169	69.8
173.09592	5.0
181.12213	17.4
191.10614	4.3
209.11829	4.0
227.12766	100.0
255.15903	11.1
283.10004	2.9
283.15332	37.2
283.20389	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	282.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
56.96549	1.8
67.05482	0.6
69.03421	0.5
69.07073	2.0
70.06576	0.5
70.82690	1.0
70.83055	0.5
71.08603	0.5
77.01614	0.4
79.05476	0.4
81.07040	1.5
83.08577	0.5
86.09711	0.9
93.07005	0.6
95.08602	1.1
98.97562	1.2
105.07016	0.4
116.98634	0.7
120.08065	0.5
121.02840	0.7
128.98611	0.4
132.06219	0.6
138.06190	0.7
153.08607	0.4
165.07036	0.7
177.00594	0.5
177.12256	0.9
178.07779	1.4
179.08540	5.0
183.12263	0.5
186.12692	1.6
189.07007	1.5
190.07849	2.3
191.08542	6.3
192.12703	1.9
192.62793	0.5
193.06554	0.6
193.10097	0.8
194.07224	0.5
201.13213	0.5
202.07742	1.5
203.08545	3.8
204.09308	0.7
205.06517	0.7
205.10161	2.3
206.07190	1.3
207.08040	6.3
212.63875	0.5
217.06424	1.9
218.07272	4.8
219.08026	10.8
220.08411	0.7
221.06017	3.8
221.09549	4.6
222.06749	0.5
222.10289	1.8
231.07942	0.5
233.09612	4.5
234.10370	29.7
235.07518	32.1
235.11195	1.3
236.08250	5.4
237.09094	1.7
249.09099	2.0
250.09877	45.2
251.10321	1.6
258.14838	1.6
265.12216	100.0
266.12466	3.0
278.65866	0.5
282.11725	0.9
282.14951	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	282.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32021	0.7
53.77952	0.5
54.61092	0.5
55.01886	1.4
55.05518	1.0
57.03465	1.1
67.05525	1.5
69.07068	12.6
69.97786	1.2
69.98164	2.6
70.06615	1.3
71.05038	1.1
72.08186	1.0
73.06606	1.1
79.05486	5.3
81.07087	1.1
84.08170	1.0
86.09729	1.8
91.05478	10.8
93.07060	1.4
95.05004	1.0
95.08633	0.9
97.06528	34.1
100.11257	0.9
105.07011	0.7
107.04970	1.5
107.08629	0.9
110.07186	1.5
115.07626	0.9
119.04926	6.1
120.04486	1.2
120.08095	3.3
121.02887	0.8
121.06522	1.0
135.04373	0.9
135.11725	1.3
137.05971	57.6
138.06424	0.6
145.10126	0.9
147.04420	3.9
149.05984	1.3
163.07481	1.0
163.11209	1.7
165.07022	1.7
179.08533	4.2
180.09299	2.3
187.61555	0.5
189.02486	0.6
189.07053	3.1
189.09113	5.9
190.07773	11.3
191.08546	100.0
192.08951	2.7
195.08218	0.9
205.10101	3.1
207.08054	3.4
208.08813	7.8
218.07210	2.5
219.08038	80.4
220.08768	10.8
227.12822	1.9
233.09615	1.5
233.11722	17.9
236.08308	17.7
251.10600	77.5
251.12823	17.9
252.10992	2.2
264.09467	0.7
264.15955	22.6
265.12146	0.6
265.16403	0.7
271.65494	0.8
282.14767	54.1
283.15347	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	282.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79330	0.6
56.05022	0.7
58.06598	0.8
62.55717	0.7
71.53063	0.9
72.08141	1.0
72.33591	0.7
84.04497	0.9
84.08123	3.1
85.02895	1.1
91.05465	1.4
107.04939	0.9
120.04465	0.8
136.06174	2.0
137.05966	3.3
143.08545	1.7
147.04379	0.9
148.03925	1.8
148.05008	0.6
148.07533	0.8
149.05975	0.9
149.09396	0.7
150.07741	46.3
151.06265	0.6
152.06996	0.9
159.08055	1.2
160.05177	0.9
161.05943	2.8
162.05447	1.2
164.07083	3.8
166.05034	1.2
171.08008	1.3
176.06984	2.0
177.07835	23.9
177.09314	1.4
188.10686	1.5
189.09032	1.5
191.09367	8.0
206.11752	100.0
207.12167	1.8
218.08107	2.9
220.13315	11.7
236.09166	1.7
264.08597	1.0
264.15906	5.3
265.07007	1.0
282.05283	0.8
282.09717	3.2
282.11996	2.8
282.16965	13.6
282.22058	1.0
284.02963	0.8
300.06262	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	281.2473
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05513	59.9
57.07067	46.1
58.50891	10.2
59.37722	10.8
67.05511	57.6
67.22974	9.3
68.83154	9.5
69.07076	100.0
71.06609	21.1
71.06944	20.0
71.08620	29.6
79.05496	20.7
80.29219	10.1
81.07068	68.7
83.08620	90.4
85.06513	13.7
91.05465	17.4
93.07034	34.7
94.74536	10.4
95.08603	87.3
97.10153	63.8
105.07019	14.9
107.08586	32.0
109.10143	48.1
111.11742	16.0
119.08570	29.6
121.10152	24.0
123.11732	26.1
125.13298	14.1
132.25998	11.2
133.10133	24.3
135.11699	17.8
137.13203	14.4
147.11678	15.5
149.13295	20.9
161.13274	12.8
171.11714	18.2
175.14854	16.0
197.13229	11.0
197.55556	11.4
221.22607	12.9
235.14929	14.5
245.22639	42.7
263.17923	16.9
263.23727	39.4
265.25256	15.1
281.15787	19.2
281.19025	75.7
282.27963	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	281.2473
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
51.31372	2.6
53.03949	4.7
55.05510	78.9
56.96993	2.9
57.03428	7.1
57.07080	23.7
58.67332	2.9
61.01928	2.8
64.35825	3.4
67.05504	52.6
69.07066	100.0
69.55303	21.7
71.04975	8.4
71.08627	11.2
79.05499	23.8
81.07054	88.5
81.07526	4.7
83.04974	4.5
83.08613	83.1
85.06534	6.7
85.10158	5.3
91.05481	19.3
93.07047	33.6
95.08607	77.1
97.06519	13.9
97.10173	57.8
99.08080	6.1
105.07044	16.4
107.08584	25.0
109.10155	35.6
109.99927	2.8
111.08066	10.3
111.11719	21.6
111.70364	3.0
119.08581	21.7
121.10137	30.1
123.08088	7.5
123.11680	19.0
125.09632	5.3
125.13264	5.0
129.52473	3.1
133.10129	20.3
135.11681	19.2
136.93074	4.7
137.09590	7.9
137.13231	5.9
139.11176	8.8
147.11661	13.8
149.13258	15.3
151.11191	7.7
151.14851	3.4
154.94113	13.2
161.13219	12.0
163.14807	9.4
165.12759	10.0
172.95200	21.7
175.14828	6.9
179.14273	6.4
189.16397	7.2
190.96289	10.3
193.15825	3.9
221.22679	4.8
222.48354	3.0
228.97835	11.0
230.60187	3.1
245.22650	26.4
246.98889	13.2
263.23730	25.0
281.24716	19.0
284.37466	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	281.2474
Annotation	chaulmoogric acid
Peak:m/z	Relative Intensity
53.03928	3.5
55.01866	11.0
55.05509	24.0
56.96557	1.8
57.03418	2.8
57.07073	6.5
65.03925	3.1
67.05501	86.5
69.03423	4.1
69.07064	30.3
70.06564	2.1
71.04990	84.2
71.08624	1.7
71.54050	1.5
72.08159	0.9
79.05489	53.9
81.07051	100.0
83.04977	3.0
83.08151	1.2
83.08617	15.9
84.08138	2.4
85.06529	11.7
86.09715	1.4
91.05472	22.6
93.07037	63.1
95.04964	3.9
95.08600	72.0
97.06524	41.8
97.07156	1.9
97.10162	7.1
98.97586	1.6
99.08089	3.7
105.04552	0.8
105.07027	15.6
107.07877	2.0
107.08588	33.3
107.09315	1.9
109.06477	1.7
109.10146	29.6
110.10461	0.9
111.08076	6.6
111.11728	1.4
113.09639	1.6
116.98603	1.2
117.07024	1.6
119.08567	12.5
120.04409	1.0
121.10137	68.9
122.10419	1.1
123.08122	1.2
123.11700	15.1
125.09618	1.8
127.11158	1.2
129.07022	1.0
131.08582	1.4
133.10130	11.2
135.08064	1.7
135.11688	38.1
137.09618	3.2
137.13229	3.0
139.11165	6.5
143.08585	1.2
145.10086	1.5
147.08040	1.2
147.11693	8.2
149.13246	18.0
151.11095	1.3
151.14738	0.9
153.12788	0.9
161.09587	1.0
161.13254	6.1
163.14810	6.8
175.14864	4.0
177.16359	1.6
181.15880	1.3
189.16394	2.3
198.23994	0.9
199.16933	1.5
203.18005	1.1
213.18430	8.5
221.18982	0.9
237.22035	1.3
245.22723	5.7
250.09503	1.8
263.09055	1.5
263.16434	1.1
263.23685	22.2
270.36462	1.0
281.14886	1.8
281.24747	45.5
282.25177	1.1
283.03082	1.2
299.06146	2.8
299.92319	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.01732	1.6
51.02348	1.8
53.03944	7.4
55.01859	6.3
55.05508	35.8
57.03166	1.8
57.03434	33.5
57.07071	3.2
65.03928	4.4
67.05500	87.5
69.03425	4.8
69.07069	19.8
69.58403	4.3
69.58821	6.4
70.06550	2.2
71.04975	4.2
73.06511	1.4
76.52857	1.5
77.03956	1.7
79.05489	100.0
81.03426	11.6
81.07050	64.1
81.07535	3.1
83.04496	2.7
83.04972	35.5
83.08608	9.1
85.06546	4.0
88.63608	1.6
91.05473	66.3
93.07039	75.1
95.04965	32.1
95.08598	39.6
97.02860	1.8
97.06504	5.4
97.10150	5.3
104.52586	1.4
105.07024	52.0
105.42191	1.7
107.04933	6.7
107.08576	17.2
109.06490	9.2
109.10160	11.2
111.08071	1.8
113.06037	1.6
117.07032	10.6
119.08578	33.4
121.06483	3.4
121.10114	5.7
123.08054	9.0
128.06175	2.2
129.06992	18.6
131.08598	3.8
133.10129	12.8
135.08051	3.2
135.11653	2.6
140.27931	1.6
141.09122	1.6
143.08566	9.5
145.10110	15.0
147.08017	5.3
147.10516	2.8
147.11679	41.6
161.09607	4.5
161.13235	13.6
163.11218	1.7
171.11679	32.0
171.13129	1.9
179.89557	1.7
189.12729	10.4
207.13788	10.3
242.68137	1.5
246.76117	1.8
281.17435	33.9
282.18045	2.1
293.81155	1.5
299.06174	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	281.1747
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
50.44820	2.2
53.03946	16.3
55.01865	24.1
55.05511	19.5
56.05025	3.4
57.03429	5.7
60.04531	16.2
65.03940	4.3
67.05502	61.4
69.03416	9.7
69.07065	100.0
69.60741	7.5
69.61170	11.4
70.06583	21.1
71.04987	32.4
72.08134	15.2
73.06548	4.0
74.06068	2.7
79.05489	86.8
81.03416	23.5
81.07051	65.1
83.04971	15.5
83.08597	8.5
84.04487	5.8
84.08144	36.9
85.02887	3.7
85.06556	14.4
86.09699	32.0
87.05573	3.1
91.05470	45.8
93.07038	44.4
95.04960	35.7
95.08598	32.4
97.06529	29.9
97.10157	3.3
99.08084	11.8
105.07032	41.2
107.04951	31.9
107.08575	30.9
107.65946	2.8
109.06503	14.6
109.10152	6.8
110.07151	6.1
111.04446	9.6
111.08020	2.9
113.06006	12.7
113.09634	8.9
115.07572	13.3
117.06998	23.9
119.08579	33.4
120.08111	12.2
121.06489	9.9
121.10139	23.7
123.04419	9.1
123.08053	17.1
125.05988	10.3
125.09629	37.3
126.09955	2.8
128.06194	3.4
129.05469	10.9
129.07016	13.7
129.10226	33.2
130.07674	2.2
130.08606	4.5
131.05035	2.5
131.08568	26.5
133.06494	11.6
133.10135	15.3
135.08055	7.8
135.11681	6.3
137.05928	3.7
137.09601	6.8
139.11136	8.8
141.05452	2.5
141.09019	3.0
143.06981	6.1
143.08566	12.5
145.06480	3.2
145.10089	14.6
147.08058	13.3
147.11395	3.0
149.09593	23.7
151.07576	5.3
151.11147	2.8
157.10046	3.5
159.11765	3.7
161.09592	7.4
161.13246	7.5
163.11229	3.4
165.06923	2.6
165.09053	3.3
167.10716	3.9
169.08611	6.0
171.11670	2.9
173.12846	18.2
175.07547	3.9
175.11153	3.5
175.14775	3.8
177.09137	2.8
177.12740	4.6
179.10516	2.8
179.14307	3.0
181.08522	4.0
182.08173	3.0
183.08058	3.1
183.11501	3.1
185.13249	18.1
189.09074	5.2
195.10089	2.8
199.14790	9.3
203.10690	2.6
203.14371	6.0
206.11719	2.8
209.13266	3.0
217.13760	3.0
217.15646	5.6
219.17381	8.0
221.15361	19.9
227.14113	5.3
233.11699	4.0
235.07480	2.5
237.18456	13.8
239.07159	2.9
245.15399	12.8
263.16605	20.5
264.15863	4.2
281.09427	3.8
281.14835	4.7
281.17529	51.4
282.17188	4.0
299.06122	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	281.1132
Annotation	Asp-Phe
Peak:m/z	Relative Intensity
55.05512	1.4
56.05031	1.0
56.17876	0.7
57.07082	0.8
60.04520	0.7
61.04928	0.8
67.05511	1.1
69.07062	1.0
70.02949	4.5
70.06586	2.5
71.31359	0.9
72.08161	3.8
79.05471	1.2
81.07040	1.6
84.04475	1.8
84.08146	4.6
86.09708	3.3
88.03989	30.3
91.05443	15.5
93.07040	1.5
95.08598	1.9
98.02428	1.0
102.05490	0.8
103.05453	7.2
107.04964	3.2
111.04454	0.7
119.07366	0.8
120.08096	100.0
121.08443	1.0
123.07907	1.2
129.10228	1.9
130.06535	5.8
131.04918	2.7
136.06123	1.1
137.70544	0.7
144.08093	2.2
147.09132	1.0
149.05966	1.9
154.06465	0.8
157.06503	1.6
159.03183	0.6
163.14822	0.6
165.65059	0.8
166.08638	41.4
172.07562	3.6
175.08667	13.3
176.06976	1.3
182.06015	4.0
190.08614	2.8
200.07063	17.4
217.09731	2.3
218.08064	1.8
221.09203	10.2
228.06627	1.1
235.10780	15.5
245.09244	1.7
246.07619	9.9
263.10403	3.3
266.99890	4.1
281.11255	6.8
283.02869	3.6
299.06168	9.8
300.06342	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	281.1495
Annotation	3061-91-4
Peak:m/z	Relative Intensity
53.03943	0.8
55.05510	10.7
55.13565	0.3
56.05032	0.9
57.05809	1.1
60.04502	0.5
61.23963	0.3
63.92733	0.3
67.05510	0.3
70.06602	1.6
71.05000	0.4
71.30627	0.6
72.08150	73.6
73.04767	0.4
73.08502	0.5
74.06093	0.8
81.07057	0.6
84.04498	1.3
84.08144	2.7
86.09708	2.2
87.10034	0.4
88.03996	0.7
91.05441	2.4
93.07058	2.4
93.72000	0.3
95.04968	0.6
95.08601	0.4
103.05456	7.0
104.05280	0.3
105.06982	0.6
107.04977	0.4
110.07153	0.7
119.04914	2.0
120.08094	100.0
121.08439	2.4
123.04404	1.3
129.10249	0.9
134.04572	0.4
135.04379	0.4
136.06184	0.8
136.07570	10.5
137.05960	1.0
147.04404	1.0
150.07755	0.4
151.06175	0.4
161.05815	0.4
165.05455	3.2
165.06584	0.4
172.75047	0.3
178.03227	0.7
182.06645	0.6
182.08134	7.7
191.09329	0.6
206.11713	0.5
220.13237	1.0
235.14252	0.5
264.08432	0.5
266.99915	0.8
281.05923	0.4
281.08533	0.4
281.11499	3.6
281.15369	3.0
282.09567	0.4
282.16977	0.7
283.02896	0.6
299.06207	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02370	1.5
53.03943	8.6
55.01860	4.1
55.05509	40.3
56.96553	3.4
57.03158	2.0
57.03434	35.7
57.07060	3.4
59.04988	1.9
65.03925	5.2
67.05502	96.4
69.03430	3.4
69.07063	20.8
69.39458	4.7
69.39883	6.0
70.06593	2.7
71.04981	4.6
71.08624	1.3
71.53206	1.4
72.08145	1.5
73.06551	2.2
78.06899	1.2
79.05488	100.0
81.03420	13.3
81.07052	65.2
81.07536	2.6
83.04979	32.0
83.08619	10.9
84.04467	1.2
84.08128	3.6
85.02925	2.4
85.06535	4.7
86.09691	2.4
91.05470	67.8
92.05885	1.3
93.07039	76.3
94.33421	1.2
95.04963	30.7
95.08604	42.6
96.71269	1.1
97.02927	1.7
97.06528	8.6
97.10159	6.6
98.97588	3.2
99.08089	1.9
103.05479	2.2
105.04527	2.5
105.07026	52.5
107.04955	5.8
107.08587	22.1
109.06507	9.3
109.10161	8.9
110.29515	1.2
111.08118	1.6
115.05412	1.5
116.98581	1.3
117.07002	11.5
119.08581	30.2
121.06522	4.2
121.10131	7.4
123.08060	11.5
123.11714	2.2
125.09530	1.2
128.06223	4.1
129.06996	18.9
129.10197	1.8
131.08578	4.8
133.06477	1.2
133.10126	12.4
135.08096	1.9
135.11667	3.7
141.09062	1.5
143.08553	12.7
145.06487	1.5
145.10118	13.5
147.08051	4.0
147.11678	40.7
149.13312	1.6
151.02785	1.7
156.09268	1.6
159.11647	2.7
161.09589	5.6
161.13263	14.9
163.11217	3.0
165.09122	1.3
171.11681	33.6
182.11447	1.9
189.12735	13.8
191.11842	1.6
207.13789	10.8
257.14279	1.6
263.09164	2.1
265.12531	1.7
272.64572	1.2
281.08063	2.1
281.15283	1.4
281.17474	31.5
281.65341	2.4
282.15613	1.5
283.03214	1.7
299.06149	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	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
51.29203	0.9
52.10409	0.8
54.45819	0.8
55.05511	14.5
56.05038	6.0
57.03412	0.9
57.07069	5.9
58.02945	3.6
60.04512	1.7
65.03923	2.1
67.04217	0.9
67.05502	20.3
68.05024	2.5
69.06737	1.1
69.07068	15.8
70.38400	2.3
71.08622	2.2
72.04509	2.2
74.06083	0.8
79.05495	12.5
80.05011	2.6
80.72529	0.9
81.06587	1.3
81.07050	18.0
82.06577	8.7
83.08616	5.9
84.08135	1.6
85.10181	1.1
86.06055	3.1
91.05467	7.7
93.07037	7.0
94.06567	5.3
95.04953	1.9
95.07346	1.0
95.08604	12.8
96.08129	1.6
97.06524	1.4
97.10136	2.6
98.06038	1.6
100.07611	2.2
105.07034	3.3
105.99513	0.8
107.08604	4.5
108.08071	1.3
109.10149	4.7
112.07600	2.2
119.08556	2.8
121.10155	2.9
123.11710	2.2
133.10098	2.0
135.11681	1.6
137.05969	1.1
140.10614	1.4
149.02361	6.1
150.02681	6.7
250.25378	6.7
252.47223	0.8
260.30237	0.9
262.22748	1.2
262.25317	4.8
280.26355	100.0
281.26840	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	281.1132
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
53.03952	0.4
55.05512	4.0
56.05035	0.7
57.05822	0.4
60.04520	0.7
67.05500	0.4
70.06589	1.4
71.04999	0.4
71.07032	0.5
72.08155	33.2
74.06088	0.2
77.03977	0.2
79.05473	0.3
80.05013	0.3
81.07079	0.5
84.04517	1.0
84.08144	2.4
86.09708	1.5
88.03979	0.5
91.05438	1.1
93.07044	2.1
94.06607	0.2
95.04974	0.4
95.08570	0.2
99.41013	0.2
103.05465	6.5
103.06158	0.3
110.07181	0.6
119.04942	0.7
120.08103	100.0
121.08426	1.5
123.04429	0.6
125.42633	0.2
129.10229	0.8
134.04494	0.5
136.06172	0.9
136.07568	3.5
137.06015	0.7
147.04361	0.5
150.05470	0.3
165.05486	1.7
178.03169	0.2
182.08130	3.6
183.37070	0.2
235.14421	0.4
237.90755	0.2
262.07672	0.2
266.99792	0.3
281.08463	0.4
281.11255	4.4
281.15582	1.2
282.12494	0.2
282.17032	0.3
283.03024	0.5
299.06302	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	280.1291
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
55.01856	0.4
55.05515	0.4
55.31116	0.2
56.05025	0.7
56.96552	0.3
57.03400	0.3
57.07065	0.4
58.06590	0.6
60.04530	1.3
67.05504	0.4
69.07056	0.5
70.02945	0.7
70.06587	8.3
71.04971	0.3
71.06932	1.2
71.50519	0.3
71.50941	0.3
72.08146	3.1
72.47079	0.3
73.08485	0.5
73.20053	0.2
74.02432	2.4
74.06060	0.4
79.05479	0.4
81.03453	0.3
81.07039	0.3
82.06551	0.4
83.06120	0.3
84.04494	1.9
84.08140	5.8
85.02916	0.3
86.06065	0.3
86.09700	3.5
87.05592	4.4
88.03979	1.1
90.05560	0.3
91.05408	1.4
92.05003	0.3
93.07036	1.8
94.06528	0.3
95.04969	0.5
98.09685	0.8
102.05542	0.5
103.05458	6.5
103.06157	0.3
107.04936	0.4
110.07168	1.2
112.07569	0.3
112.08679	0.4
113.07137	0.3
114.05502	0.4
115.08667	0.5
116.03455	1.0
116.07083	0.5
117.79079	0.2
118.06602	0.3
119.04913	0.4
119.08575	0.3
120.08096	100.0
121.06471	0.3
121.08418	1.0
122.06009	0.5
123.04383	0.4
127.08662	0.2
128.10698	0.3
129.07016	0.7
129.10249	2.7
130.08621	0.8
130.86316	0.3
131.04895	0.4
133.06081	16.6
134.06047	0.4
135.04436	0.3
136.07556	0.8
137.05954	0.5
139.08647	0.3
144.08131	0.2
146.05948	0.3
147.04437	0.5
147.08035	0.9
147.11235	0.4
149.02295	2.3
150.02658	2.1
150.03661	0.4
150.05486	0.5
151.06261	0.4
152.07043	0.7
155.08144	0.3
157.37016	0.3
162.05502	0.5
165.10280	0.3
166.08612	0.3
173.12874	0.8
175.07480	1.3
176.07039	0.5
177.09160	0.4
178.03246	0.6
178.08745	0.3
179.03874	0.2
192.06464	0.3
204.06508	0.5
204.10234	0.3
216.06644	0.6
217.09721	0.9
218.11943	0.3
234.07631	0.3
244.16649	0.3
245.09293	0.3
262.07077	0.4
262.11862	0.5
262.14420	1.3
263.10254	5.2
266.99933	0.3
270.12308	0.2
280.08194	2.0
280.12823	2.3
280.15475	6.5
281.06079	0.4
281.11356	0.9
283.03140	0.4
299.06158	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	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03936	1.7
55.01875	0.6
55.05508	9.0
55.88776	0.5
57.03431	0.9
57.07075	2.3
58.22879	0.5
65.03936	3.0
66.54391	0.4
67.05502	99.7
67.69096	0.5
68.05815	0.9
69.07063	8.3
69.61977	2.4
69.62393	1.0
71.04977	1.4
74.49870	0.5
79.05484	13.2
81.07050	100.0
82.07378	1.3
83.04974	1.4
83.08616	5.5
85.06547	1.2
91.05473	4.4
93.07037	14.1
94.07382	0.6
95.04982	0.8
95.08601	80.5
96.08939	1.2
97.06532	1.6
97.10185	2.5
98.20763	0.7
105.07035	3.8
107.08583	9.7
109.06551	1.2
109.10151	44.9
110.10459	1.1
111.08101	0.6
111.11720	1.6
117.07018	1.5
119.08596	3.2
121.10129	6.9
123.08099	1.6
123.11700	22.3
123.12605	1.1
127.07581	0.6
127.86189	0.4
131.08571	4.4
133.10104	2.7
135.08070	0.9
135.11687	4.6
137.09625	1.2
137.13240	7.6
145.10091	2.2
147.11662	2.2
149.02338	5.8
149.09599	1.5
149.13248	2.4
151.11150	1.0
151.14847	2.5
158.03232	0.8
159.11719	2.3
161.13257	1.9
163.11172	2.1
163.14841	1.6
165.12738	1.3
165.16368	0.5
167.10696	0.5
173.13255	3.5
177.12708	1.1
177.16301	1.3
179.14247	1.1
181.12334	1.0
187.14815	2.3
191.14357	1.0
195.13835	2.3
205.15956	1.1
209.15410	2.5
219.21156	0.8
223.16876	3.0
234.73964	0.5
237.18530	1.1
242.99997	0.5
243.21069	2.4
261.22177	3.2
279.20029	1.5
279.23175	31.0
280.23557	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	280.0816
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
55.05511	2.2
56.05018	0.6
57.07059	0.5
58.06586	0.5
60.04506	0.8
65.03910	0.8
66.62058	0.3
67.05497	0.9
67.44394	0.3
69.07050	1.3
69.76441	2.0
70.06591	4.0
72.08155	5.7
74.06068	0.6
81.07093	0.4
83.04967	0.8
83.06109	0.3
84.04504	1.6
84.08140	7.6
85.08470	0.4
86.09703	10.1
86.99097	0.4
87.10014	0.4
87.51473	0.3
88.03982	0.6
91.05476	11.2
92.05826	0.5
93.07027	0.6
95.04960	0.5
95.08598	0.8
96.08964	0.4
98.11850	0.3
98.21482	0.5
103.05434	0.4
104.84895	0.3
105.07003	0.4
106.06504	0.4
109.06567	0.4
110.07154	1.1
110.46516	0.4
112.08717	0.7
115.05468	0.3
116.01649	0.5
116.61668	0.3
118.06564	0.5
119.04935	30.0
120.08083	1.0
121.02889	0.6
123.04421	1.1
129.06989	0.7
129.10236	4.1
130.08659	0.7
131.04897	0.6
131.08585	1.3
132.08083	0.5
135.04353	0.6
136.07574	0.6
137.05945	1.7
139.03914	0.4
139.08752	0.4
140.04233	0.4
141.10300	0.3
143.04921	0.4
143.11821	0.4
144.01099	0.4
145.02759	0.3
145.06441	0.6
146.06029	0.6
147.04401	100.0
147.11259	0.7
148.04822	0.5
149.02316	2.7
149.05968	1.4
150.02655	2.4
159.08060	0.8
161.05989	2.1
162.02213	0.7
163.02565	0.6
163.03915	0.5
163.07520	0.5
164.07051	1.0
165.07845	0.4
167.08522	0.7
173.09648	0.6
174.05403	0.4
175.07561	1.1
176.07114	0.6
177.05508	0.8
177.07913	0.4
178.08647	1.5
184.07584	0.4
185.09605	0.6
185.54434	0.3
188.06976	0.6
190.08670	0.5
191.10707	0.4
192.06448	0.4
195.08069	0.4
199.18143	0.4
200.07069	0.8
201.07813	5.7
201.09399	0.5
202.08623	1.7
203.10687	1.4
204.10146	0.7
206.08168	0.4
207.08896	1.1
213.09087	0.6
214.08508	0.4
215.09381	0.5
218.11754	0.3
230.11758	3.3
231.10211	0.9
234.11649	0.4
234.14844	1.2
244.13284	2.0
248.12827	1.2
262.14383	10.9
280.11899	1.0
280.15338	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	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03930	1.3
55.05509	7.3
57.07058	1.9
59.40847	0.8
65.03925	1.8
67.05500	97.0
68.05831	1.0
69.07068	9.3
70.69722	1.3
71.04970	1.2
72.41489	1.0
75.52406	0.9
75.91424	0.9
79.05489	11.4
81.07049	100.0
82.07385	1.4
83.04971	1.4
83.08602	4.5
85.06551	1.8
91.05466	3.2
93.07043	10.7
95.04967	1.0
95.08601	81.3
96.08943	1.0
97.06532	1.5
97.10151	2.1
105.07024	2.1
107.08601	8.2
109.06517	1.0
109.10149	25.1
117.06981	1.7
119.08570	2.8
121.10122	6.8
123.08024	1.5
123.11706	13.0
131.08536	4.3
133.10124	3.8
135.08054	1.7
135.11656	5.6
137.13239	10.0
139.22530	0.8
145.10106	2.0
147.11623	2.5
149.02333	2.3
149.09599	2.6
149.13211	3.5
151.11212	1.1
151.14761	3.4
159.11658	4.6
161.13304	2.0
162.00253	1.1
163.11142	1.5
163.14787	2.4
167.10780	0.8
173.13260	5.8
177.12718	2.0
177.16324	1.0
179.14429	1.1
181.12308	2.0
185.65050	1.1
187.14809	2.7
191.14296	1.6
195.13782	2.7
207.08066	0.9
209.15343	4.1
223.16913	2.5
243.20981	2.0
248.53909	0.8
252.29694	1.0
261.22269	1.8
275.50357	1.0
279.23169	20.9
290.56985	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03926	1.6
55.05509	8.2
57.07080	1.7
58.43942	0.7
60.98580	0.7
64.13329	0.6
65.03932	2.8
67.05502	100.0
69.07066	7.9
70.32851	1.3
70.33247	1.6
71.04984	0.7
71.08633	0.7
75.00031	0.6
79.05495	10.4
80.65618	0.6
81.07054	93.6
82.07371	0.8
83.08612	4.3
85.06563	1.3
91.05451	3.1
93.07043	7.4
95.08603	70.6
96.08937	0.7
97.06512	1.1
97.10165	2.3
98.55037	0.6
98.62838	0.6
103.41973	0.7
105.07027	1.7
107.08569	5.4
109.10153	38.0
118.57442	0.6
119.08604	2.3
121.10126	4.5
123.08029	1.0
123.11704	25.6
131.08560	2.1
133.10069	1.1
135.08076	1.2
135.11711	2.9
137.09663	1.1
137.13263	9.0
145.10110	2.5
147.11671	1.7
149.02324	7.3
149.09622	1.0
149.13258	2.6
151.11227	0.7
151.14836	2.1
159.11789	1.2
161.13290	2.0
163.11124	1.0
163.14766	1.5
165.12749	0.7
167.10788	0.8
173.13249	3.3
177.12683	1.2
177.16438	0.8
179.14282	0.7
181.12253	1.0
181.64754	0.7
187.14900	1.4
191.14322	1.5
195.13766	1.5
205.15878	0.7
209.15331	1.8
214.71487	0.7
223.16937	1.9
237.18414	0.7
243.20996	1.3
261.22180	2.3
275.60272	0.8
279.23190	32.8
280.23627	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	279.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.06680	0.3
55.01866	0.5
55.05509	33.5
56.05027	1.0
57.07071	1.8
57.98811	0.5
58.99582	15.9
60.04520	0.4
61.01139	1.1
67.05501	0.3
69.07061	1.1
70.02947	0.3
70.06589	3.4
71.50983	0.7
72.08152	1.6
73.01141	1.3
74.00629	0.3
74.06068	0.4
76.02230	4.8
76.03996	4.5
79.05486	0.6
79.57178	0.3
81.04661	0.3
81.07037	0.8
83.08616	29.3
84.04504	3.3
84.08136	2.1
85.01122	0.5
85.04825	0.5
86.09703	3.0
86.99047	15.7
88.02216	4.0
88.89937	0.3
91.05468	0.7
95.05003	0.3
95.08604	0.5
97.06533	2.7
98.06851	0.8
101.09647	1.3
103.05470	0.4
104.05330	0.3
107.08582	0.4
110.07162	0.4
115.05779	0.4
116.01672	58.2
117.06909	0.3
120.08076	2.3
121.02823	0.6
129.07362	0.6
129.10243	1.0
130.04988	2.1
136.07599	0.6
141.07336	0.4
144.01137	26.0
145.06218	0.5
149.02338	14.7
159.08369	6.6
162.02191	100.0
163.02592	0.6
167.01601	0.3
167.03339	0.5
179.04868	0.8
180.10167	0.8
193.03145	0.5
212.99030	0.3
233.07896	0.3
244.10037	1.1
248.12463	0.4
262.11069	18.8
279.03809	0.3
279.13721	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	279.1703
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
51.02392	0.2
55.05493	0.5
56.05036	0.5
57.07064	3.1
60.05651	0.3
61.01128	0.4
65.03923	0.4
67.05500	0.7
69.07046	1.2
70.06586	4.4
71.51588	0.6
71.51968	0.4
72.08159	2.5
79.05489	0.6
81.07039	0.8
84.04500	2.3
84.08116	1.9
86.09702	11.8
87.09995	0.3
91.05438	1.4
93.07033	2.5
95.04961	0.4
95.08595	0.6
97.06507	2.9
103.05457	5.6
105.06990	0.5
105.78452	0.3
107.04982	0.4
109.06501	0.3
110.02383	0.3
110.07137	1.6
112.08718	0.6
116.98574	0.3
120.01154	0.7
120.08093	100.0
121.02850	1.2
121.06522	0.3
121.08441	1.6
121.66913	0.3
126.75604	0.3
129.10229	1.2
130.04993	0.6
132.10190	2.9
135.04420	0.3
136.07584	1.1
137.05978	0.6
145.02791	0.5
149.02330	19.2
150.05658	0.3
151.12895	0.3
156.07698	0.4
163.03918	0.5
167.03415	0.6
177.05418	0.3
179.01619	0.3
184.27362	0.3
186.12611	0.3
193.03180	0.4
201.66135	0.3
233.16512	2.2
261.15897	0.3
261.64178	0.3
279.10199	0.3
279.13995	0.6
279.16977	3.5
279.19763	0.4
280.15189	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	279.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.5
57.05818	0.2
57.07074	1.7
57.58615	0.2
58.06596	0.4
67.05504	0.4
69.07067	13.0
70.06595	1.3
71.08665	0.3
71.09013	0.4
72.08129	0.4
79.05511	0.3
81.07052	0.4
84.04512	0.5
84.08148	0.8
85.04028	0.3
86.09704	100.0
87.10048	0.6
91.05460	0.7
94.39683	0.2
95.04987	0.2
95.08563	0.2
97.06535	0.7
103.05505	0.5
105.07033	0.3
107.04949	0.4
109.10182	0.2
117.07110	0.2
119.04935	0.3
119.70679	0.2
120.08102	12.0
120.14391	0.2
121.02917	0.6
129.10243	0.6
135.06816	0.2
136.07552	1.2
137.06027	0.2
146.06030	0.9
147.04445	0.3
149.02341	11.6
150.02789	0.3
159.11647	0.2
166.08629	4.8
167.03450	0.2
219.07988	0.2
233.16547	0.7
240.62715	0.2
248.12810	0.2
251.10339	0.8
262.05197	0.2
262.14331	0.3
279.10422	0.3
279.14023	0.4
279.17090	2.3
280.15552	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	279.1702
Annotation	Leu Phe
Peak:m/z	Relative Intensity
50.00331	0.4
51.75848	0.4
52.68606	0.4
69.07083	0.6
69.82090	1.9
85.09423	0.4
86.09702	100.0
87.10028	0.8
93.07024	1.2
103.05453	2.6
120.08096	58.1
121.08419	1.0
132.10164	1.0
140.37621	0.4
149.02316	1.4
149.70792	0.5
166.08641	9.8
190.01570	0.4
218.53683	0.4
233.16458	1.7
279.16992	4.4
288.25330	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	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05506	9.5
57.03426	1.3
57.07069	4.4
63.43344	0.5
65.03943	2.8
66.11103	0.5
67.05500	100.0
69.07066	10.6
70.43516	0.6
71.04997	1.9
74.51115	0.6
79.05487	14.1
81.07050	99.9
82.07377	1.2
83.04962	1.5
83.08617	7.2
85.06525	1.8
91.05485	4.7
93.07034	13.5
95.04961	0.9
95.08601	84.2
96.08943	1.1
97.06524	1.8
97.10156	3.4
99.08041	1.0
105.07024	3.5
107.08582	10.5
109.06454	1.4
109.10148	47.1
110.10461	1.0
111.08076	1.2
111.11706	1.4
113.09689	0.9
117.06996	1.4
119.08559	4.0
121.10139	8.9
123.08050	1.8
123.11693	27.1
131.08556	3.8
133.10153	3.6
135.08076	1.2
135.11703	5.3
135.21844	0.5
137.09639	1.4
137.13251	8.9
144.58430	0.6
145.10091	3.0
147.11662	2.6
149.02335	13.7
149.09612	2.4
149.13228	2.8
151.11168	1.0
151.14798	3.4
159.11684	2.8
161.13264	2.3
163.11189	2.3
163.14807	1.4
167.10709	1.1
169.12126	0.6
173.13255	2.3
177.12776	1.4
177.16382	1.4
179.14241	0.8
181.12222	1.5
187.14771	3.0
191.14294	1.9
195.13792	2.1
205.15881	0.8
209.15355	3.6
219.21097	0.8
223.16901	2.9
229.77725	0.7
236.43398	0.6
237.18486	0.9
243.21101	3.7
261.22113	4.6
279.19946	1.6
279.23163	37.2
280.23413	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	277.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.7
55.01881	1.2
55.05278	1.3
55.05509	19.1
57.07055	3.8
63.40661	1.0
65.03929	2.2
67.05502	36.4
69.03406	0.9
69.07063	12.3
69.78956	4.8
79.05492	70.5
81.07053	40.3
83.04963	2.8
83.08623	6.7
85.06546	2.4
91.05475	25.6
93.07041	100.0
94.07352	1.2
95.04959	6.6
95.08602	24.3
97.06511	1.6
97.10151	4.0
105.04514	1.8
105.07023	13.0
107.08589	54.6
108.40850	0.9
109.10147	9.1
111.08055	2.1
117.07024	3.2
119.08572	9.5
121.10144	45.6
123.08052	2.2
123.11710	2.4
125.09628	1.3
129.06952	1.6
131.08615	4.8
133.10135	13.1
133.45119	1.1
135.11687	50.6
135.12730	2.4
137.09633	1.2
143.08575	1.1
145.10110	4.0
147.11671	6.6
149.09579	2.2
149.13260	20.1
151.11180	1.3
157.10143	2.5
159.11717	3.4
161.13226	4.1
163.11174	1.4
163.14841	5.9
171.11662	2.3
173.13278	2.5
175.11113	1.5
175.14850	1.8
180.47136	1.0
181.12250	1.5
189.12720	1.2
193.12221	1.3
195.13892	1.3
199.14801	1.2
207.13824	1.4
212.43179	1.1
213.16452	1.3
221.15285	2.3
235.16934	5.1
241.19453	1.2
259.20508	5.1
277.18500	2.2
277.21613	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.9517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	3.1
62.33879	1.6
67.05496	2.3
71.12678	3.1
82.06603	1.7
84.08150	12.1
85.82142	2.0
93.07605	1.8
95.08597	1.9
121.02894	1.7
128.07080	2.3
130.08620	2.2
134.98860	2.4
136.94016	100.0
149.02328	27.5
225.12233	2.2
278.95148	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	279.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63321	7.3
56.05027	8.5
57.07057	9.3
58.46583	6.9
68.17315	7.7
68.76790	7.6
70.06589	40.3
70.81979	17.1
70.82316	11.2
81.03445	9.4
81.08174	8.5
84.04478	8.2
84.08125	32.0
118.17641	9.0
130.04955	11.9
148.97472	7.7
149.02347	100.0
165.90309	7.2
279.04938	50.5
279.09637	17.1
279.15530	11.8
285.43195	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	279.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00833	0.7
52.29626	0.7
55.05502	2.1
56.05021	2.3
56.96556	1.0
57.06795	1.0
57.07072	15.2
60.04510	0.8
63.26242	0.7
65.03941	2.4
67.05501	5.4
69.07053	1.4
70.06590	46.4
71.53022	1.0
71.53469	1.1
72.08150	9.5
79.05458	1.4
81.07048	4.3
82.06586	1.0
83.04967	0.9
84.04500	3.4
84.08141	9.3
85.02902	0.8
86.06030	1.6
86.09708	4.9
88.03947	0.9
91.05478	23.5
93.03356	0.9
93.07033	1.1
94.06559	1.3
95.04996	0.8
95.08595	4.0
98.06032	0.9
98.97583	2.5
107.04942	1.5
109.10153	2.3
110.07140	2.3
110.97529	1.2
112.08699	1.3
114.05514	4.0
116.07090	68.2
116.98570	2.1
118.06555	0.9
119.04942	12.2
119.08549	0.9
120.08102	2.6
121.02872	5.3
121.06516	1.7
121.10133	1.0
122.06035	0.9
123.11713	0.7
124.07596	1.5
129.10240	5.8
130.08630	2.1
131.08595	1.2
135.04419	0.9
136.07573	73.2
137.06026	0.8
137.13254	0.9
147.04451	4.1
147.05536	1.0
149.02335	100.0
162.09132	3.8
167.03439	2.6
177.00731	2.0
189.00658	1.5
191.11818	1.8
200.06999	1.0
217.07211	0.9
222.11221	1.8
226.74930	0.8
234.11115	1.2
251.13940	2.7
259.12936	2.2
262.10788	2.6
262.13931	1.0
279.09332	1.0
279.09976	1.1
279.13391	10.2
279.16901	1.0
279.23254	1.7
280.15494	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03946	4.3
55.01864	3.6
55.05510	19.2
57.03428	5.9
57.07077	12.4
65.03934	3.2
67.05138	2.4
67.05502	45.4
69.07067	15.8
70.03484	6.4
71.08636	18.0
79.01410	1.6
79.05489	63.2
81.03418	5.1
81.07051	56.3
81.07533	2.9
83.04989	5.0
83.08622	11.6
85.06544	3.2
91.05473	30.1
93.07040	100.0
95.04980	10.7
95.08604	40.2
97.06518	4.4
97.10154	4.9
99.08074	11.4
99.21861	1.8
105.07027	18.8
107.04940	3.3
107.08594	61.3
109.06506	4.7
109.10144	14.0
111.08105	2.2
117.06998	3.5
119.08589	16.5
121.10133	45.5
123.11702	3.5
131.08557	5.6
133.10149	10.2
135.08060	2.1
135.11687	59.3
137.09634	3.4
141.09128	2.0
145.10127	5.3
147.11659	7.4
149.09604	2.1
149.13255	18.1
151.11182	9.3
157.10106	2.6
159.11716	2.8
161.09622	1.7
161.13286	8.0
163.11235	5.4
163.14842	3.4
165.12650	1.8
167.10680	2.6
171.11659	2.6
175.14809	3.1
177.08046	1.7
177.12804	1.6
179.10675	5.3
179.14305	21.8
181.12343	2.1
185.13263	2.6
187.14830	2.8
189.12672	2.3
195.13718	2.0
207.13744	2.7
221.15465	4.5
231.21120	1.8
235.16930	24.4
259.20673	7.4
270.54333	1.6
277.10727	1.8
277.18057	19.2
277.21631	93.4
278.21683	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.90042	0.6
51.02361	0.7
53.00328	0.9
53.03943	4.6
53.14418	0.9
54.70642	0.6
55.01871	2.1
55.05511	19.6
57.07068	3.5
62.30824	0.8
63.51272	0.8
65.03931	1.8
66.79584	0.7
67.05503	31.5
69.07069	16.4
69.27554	0.6
69.99091	4.2
71.04985	1.8
73.89166	0.7
77.03938	1.1
79.05489	76.6
80.05815	1.2
81.07053	38.2
83.04975	1.8
83.08622	7.3
85.06541	1.4
91.05479	29.1
93.07040	100.0
95.04964	7.9
95.08605	26.5
95.95679	0.7
96.41251	0.7
97.06538	1.7
97.10149	3.2
105.04525	1.4
105.07029	14.1
107.08591	53.1
109.06497	2.2
109.10149	14.0
111.08080	0.9
117.07002	3.4
119.06046	1.1
119.08571	10.6
121.10138	41.7
123.08067	0.8
123.11703	2.2
125.09639	0.9
129.06984	1.8
131.08589	3.8
133.10129	10.9
135.08031	1.5
135.11682	54.3
136.12053	1.1
137.09598	0.9
139.11185	0.8
143.08560	1.4
145.10109	3.4
147.11681	8.0
149.09628	2.3
149.13246	25.1
151.11217	0.8
159.11691	2.7
161.09604	1.2
161.13292	4.2
163.11147	1.2
163.14795	4.6
171.11668	2.6
173.13208	1.2
175.14856	2.0
177.16383	1.3
181.12224	1.5
185.13297	1.8
189.12804	1.1
193.12236	1.5
195.13797	1.7
199.14731	1.7
207.13817	2.2
213.16298	2.7
221.15372	3.8
231.17325	1.2
235.16904	3.2
241.19466	1.3
259.20560	4.1
277.21613	63.0
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	Stearidonate
Peak:m/z	Relative Intensity
53.03931	2.4
55.01861	3.5
55.05509	16.4
55.53485	0.8
57.03421	1.5
57.07066	5.3
60.88139	0.8
65.03938	1.5
65.40672	0.8
67.05504	38.1
69.03419	1.1
69.07069	13.8
69.62803	1.8
69.63206	4.1
71.04981	2.3
71.08641	3.9
73.06543	0.9
77.39439	0.8
79.05489	37.8
81.03427	3.9
81.07054	37.5
81.07539	1.7
83.04967	3.7
83.08606	6.5
85.06555	3.9
91.05482	23.2
93.07042	53.9
95.04957	9.4
95.08602	21.5
97.06518	3.8
97.10160	4.2
98.20838	1.1
99.08079	3.5
105.04471	1.3
105.07037	16.4
107.04946	3.8
107.08585	34.0
108.05731	0.8
109.06532	3.8
109.10155	16.9
111.08061	2.0
117.07024	4.2
119.08573	13.6
121.06512	1.9
121.10143	22.1
123.08029	3.1
123.11703	3.1
125.09613	3.3
128.06203	1.0
129.06984	2.2
131.08548	4.6
133.06506	0.9
133.10146	10.5
135.08018	1.8
135.10713	1.4
135.11690	22.0
137.09599	2.5
137.13266	1.1
139.11139	1.6
143.08539	2.6
145.10117	3.8
147.08014	2.6
147.11684	10.7
149.09634	1.6
149.13264	13.1
151.11168	4.7
153.09038	1.3
157.10077	2.0
159.11714	3.3
161.05977	0.8
161.09708	1.0
161.13246	7.3
162.06790	1.1
163.11198	2.6
163.14775	5.1
165.12706	3.7
171.11703	4.5
173.13274	2.4
175.07523	2.4
175.11200	1.4
175.14810	3.4
177.12769	2.4
179.10619	1.7
180.07706	1.6
181.12209	1.7
185.13242	3.2
187.14871	0.9
189.12723	1.3
193.08644	4.2
193.12187	1.2
195.13757	1.7
199.14755	1.2
203.14397	1.2
207.13808	2.2
213.16252	1.3
217.12193	3.1
217.19537	2.0
221.15302	2.4
231.17453	1.5
231.21039	2.4
235.13387	6.9
235.16928	5.6
241.19537	5.2
243.95580	0.8
249.22218	1.0
259.20587	9.0
262.01944	0.8
277.14600	2.5
277.21613	100.0
278.22028	2.4
278.24805	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	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91034	6.3
66.25500	6.6
69.96808	11.7
69.97192	18.2
78.55902	7.0
84.04508	8.6
84.08143	14.3
84.84414	6.7
103.00661	7.6
121.01661	28.9
126.68242	7.3
132.21698	7.3
138.62575	6.8
142.86288	6.9
165.04149	6.2
181.08240	6.9
277.03094	20.5
277.08942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.41304	0.9
53.03935	2.4
55.01855	3.9
55.05509	14.3
57.03426	1.9
57.07086	1.0
65.03941	1.3
67.05186	1.4
67.05504	21.2
69.03427	1.1
69.07070	11.1
69.87172	2.1
69.87590	3.0
71.04970	2.9
79.05492	22.0
81.03413	1.1
81.06598	1.9
81.07053	25.9
83.04980	2.7
83.08607	6.4
85.06541	1.2
91.04906	2.0
91.05479	40.1
93.06488	1.8
93.07041	21.5
95.04957	6.0
95.08606	14.4
97.06533	4.9
97.10146	2.4
99.08049	1.0
105.07027	52.1
107.04937	4.2
107.08594	17.8
109.06518	7.0
109.10142	7.9
111.08058	1.1
117.07010	10.2
119.08578	35.0
121.06530	5.4
121.10130	8.7
123.08088	2.3
123.11703	1.3
125.09604	1.5
129.06985	1.8
131.08568	14.6
133.06421	1.6
133.10127	35.3
133.39551	1.0
135.08034	3.8
135.11703	5.0
137.09602	3.3
141.07011	1.4
143.08513	2.8
145.10117	13.4
147.08058	2.1
147.11690	17.5
149.09612	5.2
149.13248	1.7
151.11165	3.5
155.08556	2.6
157.10132	3.2
159.11662	9.4
161.09575	1.3
161.13257	6.3
163.11217	7.4
165.12762	2.6
169.10098	3.6
171.11656	1.7
173.13240	5.4
175.11223	2.0
175.14784	1.8
177.12761	1.8
183.11736	1.9
187.11165	1.5
187.14828	1.3
193.12183	1.2
197.13251	3.9
201.12822	1.3
215.14381	1.5
229.16025	1.1
229.19557	4.2
234.43735	0.9
237.85004	0.9
239.17932	7.6
247.20557	2.7
257.18979	12.9
275.20053	100.0
276.20432	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	275.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01860	6.9
55.05268	2.5
55.05508	26.8
57.03437	46.1
57.07076	10.4
67.05502	45.4
68.99771	3.5
69.03426	2.1
69.07066	51.1
70.06574	2.3
71.08618	6.4
71.27220	2.8
79.05492	29.6
81.07054	100.0
83.04966	6.4
83.08611	16.7
84.08141	4.8
85.02905	30.5
85.06515	4.0
86.09701	3.3
88.62896	1.8
91.05478	32.3
93.06495	2.9
93.07042	48.8
95.04958	8.2
95.08604	97.5
96.08942	2.4
97.02919	2.3
97.06519	2.8
97.10155	8.3
99.08125	2.2
103.05432	5.9
105.06317	2.3
105.07028	44.3
107.04938	6.2
107.08591	50.7
109.06516	9.0
109.10155	52.3
111.11687	6.0
113.55100	1.8
117.07018	9.2
119.08578	23.5
120.08115	3.7
121.06498	6.0
121.10133	30.8
123.08054	3.4
123.11707	26.9
125.02354	4.2
129.06952	2.3
131.04916	13.2
131.08563	12.9
133.06526	2.0
133.10130	21.3
135.08014	5.9
135.11684	17.2
137.05965	3.2
137.09624	2.1
137.13254	14.7
139.11140	3.3
145.10129	14.8
147.07999	2.9
147.11685	16.7
149.09615	5.6
149.13261	28.8
151.14749	10.2
153.01842	2.9
157.10081	4.2
157.71483	1.9
159.11714	8.7
161.09641	3.0
161.13251	6.0
163.11203	4.2
163.14792	12.7
169.10136	2.2
171.02893	20.0
173.13297	3.6
175.11182	3.1
177.12752	2.1
177.16382	3.3
183.11679	2.3
185.13177	1.9
189.03940	27.3
191.14285	2.5
191.17915	3.6
197.13358	2.4
201.12868	2.0
205.19461	3.5
219.13748	2.4
219.21042	5.5
239.17953	3.1
247.07855	1.9
247.20686	2.1
257.08035	3.4
257.18951	11.3
275.05603	4.7
275.09097	7.8
275.17032	4.6
275.20068	87.0
275.27277	33.9
276.20386	4.5
276.27765	2.3
299.83771	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03930	1.2
54.94362	0.6
55.01868	1.2
55.05510	9.1
57.03437	0.8
57.07046	0.7
65.03938	0.8
67.05502	18.2
69.07066	11.4
71.04974	2.1
71.31680	1.4
73.06545	0.8
73.65939	0.6
76.84068	0.6
79.05492	13.6
81.07052	18.8
83.04964	1.1
83.08620	5.1
85.02876	0.9
85.06531	1.2
91.05476	50.7
92.05828	0.8
93.06487	1.2
93.07037	13.8
95.04953	1.8
95.08601	11.5
97.06516	2.8
97.10165	0.9
103.05437	0.8
105.07025	44.5
107.08588	8.1
109.06476	2.2
109.10149	4.6
111.08062	1.1
115.05411	0.9
117.07005	9.2
118.07800	0.6
119.08575	35.3
121.06512	1.1
121.10160	4.8
123.08047	1.5
123.11667	0.8
129.07016	2.1
131.08563	11.0
132.04192	0.7
133.10129	18.3
135.08075	1.3
135.11685	1.9
141.06993	2.0
143.08539	1.8
145.10115	11.5
147.11671	29.3
148.11880	0.7
148.91147	0.6
149.09579	2.0
149.13199	1.6
155.08521	1.5
157.10077	3.5
159.11662	10.9
160.12267	0.8
161.09650	0.7
161.13246	8.5
163.11224	1.3
163.56192	0.7
169.10136	3.0
171.11662	2.2
173.13264	7.3
175.11111	1.1
175.14807	1.4
177.12727	2.1
183.11674	3.2
185.13199	1.2
189.12738	1.0
197.13223	2.8
201.12819	1.1
201.16365	0.8
211.14816	0.8
215.17859	1.1
229.15842	1.3
229.19576	2.5
239.17943	4.0
247.16795	1.1
247.20573	1.4
257.19019	6.5
275.05121	1.0
275.20044	100.0
275.27747	2.4
276.20395	3.3
289.57449	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02367	0.7
53.03933	1.6
55.01870	5.2
55.05512	12.8
57.03435	2.2
57.07058	1.6
65.03932	1.2
67.05505	21.0
69.03425	2.1
69.07066	12.4
70.01855	0.7
70.02281	1.2
70.06589	0.5
71.04987	2.3
79.05490	20.5
81.03397	1.2
81.07057	26.9
81.86726	0.4
82.07388	0.4
83.04978	11.0
83.08614	3.4
85.06540	1.5
88.07626	0.4
91.05480	23.2
93.07043	25.9
95.04969	7.0
95.08605	16.1
97.06522	5.5
97.10176	1.0
99.08096	0.7
103.05450	1.3
105.07030	28.6
106.07341	0.5
107.04214	0.5
107.04949	7.3
107.08591	15.1
107.09308	0.7
109.06521	11.0
109.10146	6.4
111.08093	2.1
115.01206	0.4
115.05438	0.8
117.07026	9.5
119.04926	0.4
119.08574	16.2
121.06504	12.8
121.09332	0.7
121.10146	8.3
123.04412	0.5
123.08073	8.4
123.11729	1.8
125.09613	0.9
127.52088	0.3
128.06239	0.7
129.07018	2.8
130.07761	0.6
131.04913	0.4
131.08563	15.4
132.08861	0.4
133.06526	3.2
133.09125	1.0
133.10129	16.8
135.08054	5.6
135.11682	5.1
137.05943	0.6
137.09624	2.5
139.07515	0.6
141.07002	1.0
142.07738	0.5
143.08554	2.9
145.06496	2.2
145.10123	11.1
147.08063	4.3
147.11681	12.2
149.09622	6.3
149.13278	3.4
151.11151	1.6
153.09045	0.5
154.07741	0.7
155.08554	1.6
157.10143	3.6
159.08063	1.9
159.11688	9.8
161.09648	4.1
161.13226	3.1
163.11172	5.4
163.14828	0.8
165.12762	1.1
168.83733	0.4
169.10112	1.6
171.11667	2.9
173.09622	2.9
173.13277	5.1
175.11176	2.8
175.14844	0.8
177.12794	2.4
179.10756	0.5
179.14322	0.6
183.11633	2.2
185.13295	1.0
187.11200	3.2
187.14835	1.1
189.12740	1.3
189.16345	0.6
191.14281	3.0
193.12108	0.5
197.13243	1.4
199.14839	1.3
201.12741	4.0
201.16377	0.6
205.16066	0.4
205.19522	1.0
207.13782	2.1
211.14899	0.5
213.16354	1.0
215.14397	1.8
215.17885	2.3
217.15791	0.6
219.13820	3.1
221.15355	0.6
229.19478	2.4
231.17445	1.1
233.19012	1.7
239.17999	3.9
247.20624	2.5
257.19009	12.2
269.50446	0.4
275.20059	100.0
275.27664	3.4
276.20462	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.99312	0.8
53.03937	2.6
54.45701	0.9
55.01853	3.9
55.05510	27.5
55.96988	1.0
57.03420	1.7
57.07049	1.6
62.76012	0.8
64.72691	0.9
67.05502	36.4
69.03419	1.3
69.07066	9.6
69.41978	2.9
69.42393	5.0
71.04980	3.4
79.05490	50.4
81.03393	1.0
81.06593	1.7
81.07049	25.1
83.04969	2.2
83.08621	6.0
85.06534	2.1
91.05476	34.0
93.07040	24.9
94.98267	1.2
95.04949	2.7
95.08592	11.2
97.06530	2.0
97.10152	4.4
101.05969	1.0
103.05449	1.2
105.07025	48.6
107.04951	29.0
107.08585	30.6
109.06509	1.2
109.10152	16.4
111.08057	1.9
115.05425	1.6
117.07011	15.0
119.08572	35.3
121.06451	3.0
121.10149	12.1
123.11680	3.9
125.09628	7.0
129.07013	2.0
131.08565	16.1
133.09123	1.8
133.10127	33.9
135.08043	6.9
135.11694	2.9
141.06999	1.1
143.08554	3.2
145.06396	1.4
145.10114	13.5
146.10799	1.2
147.08037	1.6
147.11679	22.0
149.09618	56.5
149.13235	1.1
153.09079	1.6
155.08569	1.3
155.10612	1.2
157.10118	2.4
159.11702	9.2
161.13254	10.1
163.11174	2.8
169.10124	2.4
169.12239	3.4
171.11676	2.9
173.11714	3.8
173.13252	4.8
177.12598	1.4
183.11728	2.3
187.11197	2.8
187.13329	2.0
187.14859	1.8
197.13310	1.8
215.14371	1.0
215.17975	2.7
229.19505	9.9
233.15317	2.0
239.17937	2.8
247.20547	2.8
257.19000	17.6
275.20056	100.0
276.20474	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03932	1.1
55.01866	1.6
55.05510	15.4
57.03433	1.0
57.07056	1.4
65.03923	1.9
67.05499	14.6
67.86192	0.7
69.07063	8.4
70.06589	1.2
70.25732	2.3
71.04984	1.4
79.05491	16.1
81.03406	0.7
81.07055	16.3
83.04924	1.7
83.08609	4.7
85.06555	1.2
88.07616	1.4
91.05478	39.9
93.06496	1.0
93.07043	12.9
94.43050	0.7
95.04964	2.8
95.08604	10.9
97.06520	1.9
97.10156	1.9
103.05505	1.0
105.07029	61.5
107.04941	2.1
107.08581	12.1
107.55534	0.7
109.06529	1.2
109.10161	3.8
111.08060	1.3
111.99985	1.1
115.05492	1.0
117.07014	9.0
119.08577	32.8
121.00469	2.3
121.06495	2.8
121.10150	4.7
121.90864	0.6
123.08029	1.9
123.11697	0.8
125.09630	1.1
127.65902	0.7
129.07030	1.8
131.08559	14.1
132.09261	0.7
133.10123	38.6
135.08014	1.1
135.11693	2.8
141.06985	1.4
142.07768	0.9
143.01772	1.0
143.08537	2.0
145.10118	17.2
147.07950	0.7
147.11674	21.2
149.09621	4.4
149.13217	1.2
157.10130	2.6
159.11685	7.8
161.13194	4.9
163.11185	1.1
167.99620	1.1
169.10153	1.5
171.11700	3.5
173.13242	3.0
175.11185	1.6
177.00198	1.0
177.12686	0.9
183.11716	2.1
185.13284	0.7
187.11125	0.9
187.14928	0.8
189.12645	0.8
197.13275	3.4
211.14896	0.8
217.02591	1.6
219.13812	0.9
229.19485	2.0
233.15366	0.8
239.17879	4.0
257.19022	8.9
261.05078	1.4
263.55621	0.8
275.20053	100.0
275.27737	15.6
276.20343	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03937	5.0
55.01854	6.0
55.05276	1.6
55.05510	19.9
57.03423	4.0
57.07072	1.9
57.86485	1.3
65.03930	1.8
67.05502	28.7
69.03391	2.1
69.07063	13.6
69.86877	2.6
69.87271	3.0
71.04976	3.2
79.05486	41.6
81.03390	3.7
81.07051	88.2
83.04984	6.0
83.08613	6.6
85.06525	1.6
91.05479	41.9
93.06488	2.2
93.07040	30.7
95.04962	8.3
95.08604	23.8
97.06515	6.9
97.10150	2.0
99.08112	1.6
105.04547	1.5
105.07027	47.7
107.04958	13.6
107.08588	19.5
109.05813	2.2
109.06516	30.9
109.10143	9.5
111.08088	2.9
115.05415	2.2
117.07008	12.2
119.08575	33.8
121.06508	9.6
121.10146	11.0
123.08056	7.1
123.11712	3.0
125.09595	2.5
129.06969	2.6
131.08560	16.2
133.06488	2.5
133.10132	32.0
135.08070	7.4
135.11690	6.3
137.09627	5.7
141.07051	1.5
143.08562	3.3
145.10095	13.0
147.07965	2.5
147.11688	20.5
149.09641	7.6
149.13245	4.8
151.07547	1.5
151.11169	4.9
155.08534	1.2
157.10130	3.8
159.11671	9.8
161.09602	2.7
161.13258	5.1
163.11137	5.5
163.14793	1.7
163.31403	1.1
165.12744	2.8
169.10071	1.8
171.11626	3.5
173.13268	5.9
175.11188	5.5
175.14890	1.7
177.12723	2.7
183.11652	2.0
187.11118	2.0
187.14827	2.6
191.14282	1.7
193.12250	2.5
197.13336	1.5
201.12743	1.4
215.17891	1.9
229.19431	3.4
233.15387	2.1
239.17915	5.1
247.20551	5.2
257.19012	11.5
275.20050	100.0
275.27719	3.6
276.20435	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.1
55.01860	1.7
55.05511	14.2
57.03431	1.2
57.07067	1.4
57.51525	0.5
59.04970	0.7
62.84530	0.7
65.03952	0.9
67.05504	15.8
69.03460	0.6
69.07066	10.0
70.06570	1.7
71.04980	1.8
71.08623	1.0
71.33821	0.8
71.34161	0.8
72.08971	0.6
75.67937	0.6
79.05491	15.8
80.52836	0.6
80.53335	0.6
81.06593	1.1
81.07056	18.2
83.04962	2.0
83.08615	5.7
85.06522	1.5
88.07629	2.7
89.07970	0.7
90.12600	0.7
91.05479	44.2
93.06492	1.0
93.07040	15.2
95.04951	2.4
95.08607	15.6
97.06541	1.6
97.10162	3.2
99.08060	0.8
102.09167	0.7
103.05490	1.2
104.06201	0.6
105.07027	62.3
106.08585	0.7
107.04941	2.3
107.08585	9.8
109.06499	1.4
109.10146	6.0
111.08066	1.2
117.06235	0.9
117.07013	10.0
117.07840	0.8
118.76227	0.7
119.08577	33.9
120.08928	0.9
121.06497	2.5
121.10143	6.7
123.08103	1.5
123.11700	2.2
125.09612	1.6
129.06999	2.6
131.08553	13.3
132.09290	1.0
133.06503	1.5
133.10127	43.0
135.08005	2.1
135.11699	4.0
137.09586	1.0
137.13269	0.8
141.06981	1.2
143.08588	3.4
145.10117	14.5
146.10818	0.8
147.08078	1.5
147.11682	22.1
149.09625	5.7
149.13203	2.5
155.08572	1.3
157.10089	2.4
159.07999	0.7
159.11684	7.9
161.09700	1.1
161.13225	4.6
163.11176	2.6
169.10089	1.8
171.11726	3.7
173.09470	0.7
173.13264	4.1
175.11206	1.8
175.14804	1.5
181.12099	0.8
183.11685	2.4
183.99586	0.6
185.13226	1.1
189.12758	0.9
193.12213	0.8
197.13226	1.9
201.12691	1.2
211.14801	1.2
214.68260	0.6
215.14374	1.0
219.13802	1.0
229.19495	1.0
233.15347	1.1
239.17938	4.3
257.19019	9.9
275.04932	1.1
275.20053	100.0
275.27704	14.6
276.20471	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	0.8
55.01873	3.2
55.05280	0.7
55.05511	11.2
57.03431	1.1
57.07059	0.9
59.53764	0.5
65.03938	1.3
67.05502	15.9
69.03403	0.8
69.07068	10.3
69.38481	1.3
69.38900	4.2
71.04978	2.0
71.08640	0.6
79.05486	18.4
80.05869	0.6
81.06596	1.1
81.07052	17.4
83.04970	5.0
83.08608	5.0
85.06522	1.3
91.05479	30.3
91.63493	0.6
93.07037	17.3
95.04966	3.4
95.08604	13.2
97.06544	2.8
97.10148	1.8
99.08068	0.7
103.05479	0.9
105.07027	44.6
107.04958	3.2
107.08588	14.2
109.02843	0.6
109.06531	3.9
109.10154	5.7
111.08047	1.6
115.05436	1.2
117.07014	8.4
119.08578	26.9
121.06507	5.0
121.10140	5.4
123.08089	3.2
123.11671	1.5
125.09609	0.7
129.06987	2.1
131.08563	13.6
132.09396	0.7
133.06494	1.6
133.10124	24.5
135.08069	4.1
135.11708	3.5
137.09598	1.6
141.06982	0.7
142.07742	0.8
143.08533	2.4
145.06407	0.5
145.10106	12.8
147.08034	2.1
147.11682	19.9
149.09624	5.1
149.13255	1.3
151.11179	1.5
155.08542	1.9
157.10098	3.2
159.08051	0.9
159.11685	8.0
161.09593	1.9
161.13200	4.3
163.11177	4.0
163.14777	0.5
165.12712	1.0
169.10092	1.3
169.74199	0.5
171.11668	1.7
173.09645	1.2
173.13257	4.8
175.11162	1.8
175.14832	0.7
177.12782	1.4
179.10640	0.6
183.11670	1.7
185.13251	0.7
187.11214	1.4
187.14748	1.2
189.12738	1.2
191.14348	1.6
193.12288	0.6
195.11452	0.6
197.13229	2.1
199.14728	0.6
201.12720	2.0
201.16444	0.9
215.14314	0.9
215.17963	2.0
219.13783	1.5
229.19484	2.1
233.15408	1.2
233.19020	0.6
239.17867	3.5
241.46611	0.6
247.20680	2.0
257.19003	8.7
275.20050	100.0
275.27573	1.6
276.20361	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	274.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	3.8
56.96559	2.7
57.93581	0.7
58.06607	1.0
60.04522	1.5
60.05650	1.2
65.03939	1.0
66.03984	0.7
69.03441	0.8
69.07059	2.3
70.06586	10.8
71.02726	1.2
72.08157	6.0
74.06053	1.6
78.27472	0.7
83.06092	1.0
84.04500	73.2
84.08142	9.1
86.09701	99.2
91.05466	3.1
95.06062	1.1
97.02898	1.0
97.06540	1.5
98.97587	1.3
99.05549	1.0
100.07607	3.1
101.07136	4.7
102.05572	0.9
107.04952	2.0
110.07133	1.8
111.04466	1.4
112.03915	1.4
112.08718	2.2
115.05483	0.7
116.07087	9.1
116.97224	1.6
116.98539	3.4
120.08115	2.0
121.02904	0.7
121.06493	1.3
123.04427	1.7
124.03927	0.8
127.51827	0.7
129.10239	4.0
130.06516	0.9
131.11781	3.4
134.99638	1.9
135.04420	0.8
137.02367	1.0
140.00047	1.0
141.79872	0.8
143.08168	2.1
144.06551	100.0
144.10194	2.8
145.76842	0.8
146.05945	0.7
147.03229	1.1
147.04433	1.2
153.06909	0.8
161.09210	92.4
161.12843	2.2
165.06992	1.6
175.11899	2.5
183.08070	1.9
191.02187	0.9
195.55754	1.5
199.07281	0.8
209.03259	1.1
211.07515	2.0
215.13878	2.0
225.12326	0.8
229.08545	1.2
239.07104	1.1
240.12305	2.3
242.14999	1.0
251.04390	0.8
257.08160	3.9
257.14938	7.3
274.10699	8.0
274.17688	13.9
274.21277	3.2
274.27341	1.9
275.04907	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	275.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09832	0.4
56.05024	1.3
59.58343	0.5
69.07069	1.2
70.06596	2.9
71.26702	0.9
71.27029	0.7
72.08160	1.5
74.06127	0.5
84.04503	34.8
84.08147	3.3
85.02943	0.7
86.09705	100.0
87.10058	0.9
97.06557	0.5
102.05540	11.8
110.07174	0.8
116.07081	3.5
120.08102	2.3
129.10233	1.4
132.10207	0.6
132.24878	0.5
136.07582	0.5
137.05917	0.5
142.15793	0.5
144.06558	33.9
159.75716	0.5
161.02011	0.6
162.07613	72.6
185.83682	0.5
210.30714	0.5
215.13879	1.9
216.45052	0.5
242.02332	0.5
275.05396	1.6
275.13425	0.9
275.16049	10.1
283.02490	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	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05498	7.1
57.07072	7.4
65.83254	5.0
67.05502	17.1
69.07058	24.4
71.62342	6.9
79.05497	6.2
81.07047	100.0
83.08616	10.7
91.05488	7.0
93.07047	15.7
95.08606	58.6
105.07040	8.5
107.06082	5.3
107.08590	32.2
109.10172	31.4
110.08159	5.7
119.08587	17.0
121.10146	17.2
123.11700	19.8
133.10127	11.4
135.11705	17.6
137.13249	22.1
145.10066	5.9
145.72449	6.0
147.04489	6.6
147.11655	8.9
149.13277	19.8
153.01826	14.0
153.18456	5.1
161.13222	8.5
162.61035	5.7
163.14825	19.3
169.88330	6.6
175.14851	5.4
177.16539	5.9
184.68661	4.8
189.16273	7.1
203.18001	14.5
217.19447	10.6
273.07382	5.7
273.25818	57.0
273.28568	10.2
292.10873	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	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.22771	0.9
53.03925	2.0
55.05510	14.8
57.07069	8.7
67.05505	29.6
68.37627	1.0
69.03452	1.3
69.07065	32.4
69.25159	11.3
70.06577	3.0
71.08623	4.9
72.08130	1.3
79.05493	16.7
81.03407	1.7
81.07051	56.3
83.04964	1.0
83.08616	11.7
84.04465	1.0
84.08131	2.8
85.10159	3.0
86.09706	1.5
91.05473	18.9
91.22543	0.8
93.07041	36.1
95.04955	2.2
95.08604	65.2
97.10165	6.1
98.21537	1.8
98.97572	1.4
105.07027	33.0
107.08585	38.5
109.06531	1.0
109.10149	38.6
111.11691	3.8
116.08878	1.2
117.07004	2.1
119.08575	24.9
120.04475	1.8
121.10138	29.4
123.11707	18.0
125.13274	1.0
127.41188	0.9
131.08549	3.9
133.10120	20.7
135.11685	24.9
137.05963	3.5
137.09566	0.9
137.13280	7.0
145.10086	2.7
147.04352	1.6
147.11685	27.8
149.13252	19.3
151.14832	3.1
153.01775	4.7
157.10075	1.4
159.11667	2.4
161.13242	21.1
163.14818	17.1
165.16342	2.2
167.82266	0.9
173.13274	1.3
175.14856	9.8
177.16386	10.5
179.17992	2.0
181.06444	1.6
189.16380	11.7
191.17953	6.5
199.11101	1.0
203.17923	10.3
209.76140	0.9
217.19496	16.0
231.21056	2.6
255.17328	1.4
257.08157	1.5
273.07419	1.9
273.18829	5.7
273.25754	100.0
274.10959	1.9
274.26010	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	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05510	21.0
57.07064	8.9
67.05504	32.4
69.07065	40.7
71.08032	8.5
79.05501	19.6
81.07055	69.6
83.08622	15.4
91.05482	15.3
93.07034	38.9
94.08681	3.5
94.30960	3.3
95.08602	76.5
97.10185	11.3
105.07022	26.5
107.08588	49.3
109.10152	57.3
118.71782	3.0
119.08561	24.2
121.10143	53.0
123.11706	39.2
130.18677	3.3
133.10132	22.0
135.11707	25.7
137.13257	10.5
147.04427	5.4
147.11705	15.7
149.13263	42.6
149.95056	2.9
151.14819	6.4
153.01833	13.4
161.13275	24.1
163.14781	21.7
175.14810	9.1
177.16415	14.5
189.16373	17.7
191.17981	9.1
203.17896	19.2
217.19493	27.9
218.27327	3.5
228.19203	3.5
231.21098	3.5
252.62141	3.2
266.88144	3.0
273.07532	8.9
273.22760	6.1
273.25757	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	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03938	2.1
55.05511	22.8
56.96550	0.9
57.07071	11.9
65.03929	2.5
67.05503	27.6
69.03432	2.1
69.07066	50.8
70.06586	4.5
71.08616	4.5
71.60170	1.6
72.08127	1.1
79.05067	1.3
79.05489	16.0
81.03387	1.7
81.07053	65.0
83.04974	1.2
83.08621	15.9
84.04491	1.4
84.08126	4.8
84.70537	0.9
85.10159	1.7
86.09692	2.3
87.79231	0.9
91.05479	19.2
93.07040	45.5
95.04946	3.3
95.08604	74.5
96.08916	1.2
97.02888	1.0
97.10159	9.1
103.05458	1.3
105.07025	35.0
107.04945	1.6
107.08588	56.7
109.06522	1.6
109.10148	46.6
110.07131	0.9
111.04420	1.6
111.11722	5.4
117.06989	2.1
119.04947	2.2
119.08573	30.7
120.04500	1.3
121.06458	2.2
121.10138	41.2
123.04384	2.2
123.08031	1.1
123.11699	25.7
125.13247	1.6
129.10226	1.4
131.08546	3.9
133.10136	22.0
135.11685	23.6
137.05960	2.7
137.13254	10.0
141.07039	1.0
143.08563	1.5
145.06424	0.9
145.10023	4.1
147.04358	4.7
147.11684	26.7
149.05991	1.6
149.13248	40.6
151.07529	1.2
151.14812	4.9
153.01852	10.3
153.06967	3.5
157.10172	1.8
159.11710	1.9
161.13252	24.6
163.14830	27.8
165.16357	2.1
171.02928	2.1
173.13266	1.5
175.14789	13.4
177.16377	19.8
181.06403	2.0
183.08047	1.0
185.13344	1.2
188.95557	0.9
189.16370	12.5
190.05130	0.9
191.17949	9.2
198.06657	1.0
203.17963	14.3
211.07556	0.9
213.09117	2.5
217.19507	20.5
225.19617	1.2
231.21059	3.7
239.07045	1.0
241.08899	1.1
255.17334	1.5
257.08072	1.8
270.84689	1.0
273.07507	7.8
273.12125	2.9
273.14914	1.7
273.18518	3.9
273.25757	100.0
274.10583	6.0
274.26047	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	273.1118
Annotation	Warburgin
Peak:m/z	Relative Intensity
53.03931	2.3
55.01868	6.1
55.05514	3.8
57.03415	2.0
57.07059	0.9
59.09903	0.5
62.21595	0.5
63.29393	0.6
65.03931	1.1
67.05507	7.9
68.99806	1.3
69.03429	5.1
69.07066	8.1
69.71399	3.6
69.71703	1.0
70.06579	1.4
71.01334	2.4
71.04978	1.0
73.02923	0.5
77.03970	0.5
79.05492	4.1
81.03412	8.2
81.07050	7.3
83.04984	4.6
83.08604	1.4
84.04498	0.8
84.08126	1.7
85.02899	11.7
86.09709	0.9
86.42490	0.5
87.00826	4.2
91.05457	5.2
92.05814	0.5
93.07042	4.7
95.04971	5.2
95.08601	6.5
97.02895	5.0
97.10133	0.7
98.20837	0.9
99.04439	2.2
101.02345	0.8
103.03957	1.1
103.05482	3.4
104.06291	0.6
105.07026	4.4
107.04936	2.6
107.08604	4.1
109.02886	3.9
109.06510	0.8
109.10151	5.0
110.03597	0.7
111.04440	4.2
111.11748	0.8
115.05450	6.4
116.06213	1.8
117.07032	2.8
119.04950	1.8
119.08548	3.8
121.06481	1.7
121.10133	3.7
123.04424	4.1
123.11676	1.7
124.05173	0.7
127.03902	3.1
128.06186	5.1
129.07001	3.6
129.10268	0.7
130.07822	0.8
131.04913	4.0
131.08562	2.2
132.05656	0.8
133.06480	2.1
133.10132	3.0
135.04385	0.7
135.07996	0.7
135.11659	2.6
137.05969	5.7
137.13309	0.7
141.06978	6.4
142.07761	1.6
143.04907	3.4
143.08557	3.3
144.05702	5.8
145.06425	2.9
145.10104	2.1
146.03616	1.0
146.07216	0.6
147.04393	3.3
147.07979	1.0
147.11678	2.5
148.05202	0.9
149.05965	2.0
149.13240	1.8
151.03885	1.1
151.07515	2.2
152.06194	4.4
153.01874	2.9
153.06976	4.0
155.04906	1.2
155.08557	2.1
156.05655	0.6
157.06473	4.0
157.10141	4.3
158.07266	4.0
159.04405	2.1
159.08041	2.6
159.11685	1.1
160.05151	1.6
161.05974	19.3
161.09613	1.3
161.13271	1.7
162.06717	2.0
163.07520	3.5
163.14812	1.6
164.08276	2.2
165.06920	3.7
166.07762	1.6
167.08563	8.1
168.05652	0.9
169.04945	2.9
169.06459	6.7
170.07272	3.3
171.02902	1.5
171.04367	6.1
171.08057	5.0
171.11717	1.2
172.05223	2.8
173.05972	1.4
173.09665	2.1
173.13206	0.6
174.06764	5.8
175.03877	1.0
175.07552	7.5
175.14786	0.8
176.08353	1.3
177.05443	1.5
177.06923	1.3
177.09088	2.2
177.16348	1.2
180.05649	0.7
181.06471	5.4
183.08055	2.5
184.05125	1.0
184.08801	1.9
185.06007	4.0
185.09607	3.5
186.06728	5.2
187.05975	3.9
187.07549	12.6
187.11174	0.7
188.04683	4.6
188.08232	1.2
189.03920	2.5
189.05461	16.2
189.09074	2.4
189.16451	0.8
190.06163	0.8
191.07013	14.3
193.06436	1.3
194.07300	1.2
195.08046	12.1
196.08812	1.2
197.05995	4.1
198.06729	2.0
199.03864	10.5
199.07532	3.7
199.11221	1.3
200.04625	1.8
200.08302	1.2
201.05334	0.8
201.09090	18.2
202.09848	0.7
203.06996	2.0
203.10643	3.6
204.07845	2.7
209.06024	0.8
209.09512	0.8
211.07518	1.4
212.08374	3.3
213.05510	1.9
213.09120	9.1
214.06232	7.9
214.09575	0.7
215.07007	1.6
215.10651	4.5
216.07718	0.7
217.04953	22.9
217.08397	1.1
217.12224	1.4
217.19565	1.3
223.07541	4.2
225.08939	0.8
227.07103	0.8
227.10677	9.5
229.08568	6.7
230.09477	1.2
231.10051	3.3
232.07292	42.3
237.09048	0.8
240.07852	1.2
241.08601	3.4
243.10185	0.7
245.08145	1.1
245.11778	4.8
255.07387	1.0
255.10149	11.2
255.17358	1.4
255.21138	0.8
258.08975	1.1
273.11206	100.0
273.18488	2.4
273.25702	6.6
274.11252	1.9
274.53635	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	273.0756
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
53.03937	1.0
54.95635	0.5
55.01876	0.7
55.05505	5.3
56.96565	0.9
57.07063	2.6
65.03934	0.9
67.01852	2.1
67.05500	9.8
68.99786	1.6
69.03416	2.5
69.07067	9.4
69.92741	2.8
70.06567	0.9
71.04994	0.7
71.08640	1.0
79.05492	4.9
81.03404	1.1
81.07047	12.4
83.08615	3.8
84.08128	2.7
86.09716	1.4
91.05479	13.7
91.87550	0.7
93.07037	8.0
95.04975	3.3
95.08601	12.6
97.02895	1.2
97.10155	1.7
98.21455	0.6
98.97567	3.2
105.07027	8.6
107.04946	3.1
107.08580	8.6
109.06481	1.1
109.10141	8.1
111.11727	0.9
116.98618	2.3
117.07008	1.5
119.04121	1.1
119.04939	20.0
119.05793	1.0
119.08571	6.7
121.02785	0.6
121.06530	1.0
121.10138	6.5
123.04419	4.1
123.07950	0.7
123.11729	4.0
123.12469	0.6
128.06165	0.6
129.07027	0.8
131.08568	2.4
133.06458	1.2
133.10132	6.1
134.99644	1.0
135.08023	0.7
135.11687	4.9
137.05972	4.1
137.13252	1.3
143.08556	1.9
145.10103	3.1
147.04401	45.0
147.11661	4.9
148.04713	1.1
149.05951	0.6
149.13235	4.5
151.03899	1.0
151.14856	0.9
153.01819	100.0
154.02156	1.2
157.10115	1.2
158.99651	1.9
159.11642	1.1
161.09657	1.1
161.13220	4.1
163.14828	3.4
169.10126	1.0
171.02931	3.2
171.11719	1.4
173.09579	0.8
173.13223	0.8
175.14839	2.3
177.00729	2.0
177.16350	2.6
181.06479	0.8
185.07161	1.0
189.05409	0.6
189.12863	0.9
189.16386	1.9
191.17938	0.7
195.11636	1.1
197.13383	1.2
199.11079	1.0
201.05280	0.6
203.17950	1.7
211.15007	0.7
213.06581	0.9
213.12799	0.7
213.16458	1.1
217.19460	2.9
231.06610	0.7
231.21005	0.6
237.16409	0.9
241.08582	0.7
255.07559	0.7
255.10066	0.7
255.17383	2.5
273.07553	77.0
273.18591	7.0
273.22910	0.6
273.25760	15.7
274.07898	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.01865	0.7
55.05509	8.7
57.07062	2.1
65.03931	1.4
67.05502	14.7
69.06730	1.1
69.07069	13.6
69.63412	5.3
70.06573	2.0
71.05009	0.7
71.08635	1.5
72.08154	1.2
79.05143	0.7
79.05502	8.2
81.07057	32.3
83.08624	6.4
84.08125	0.9
86.09683	1.4
91.05486	13.9
93.07047	20.1
95.04961	1.5
95.08611	35.5
97.10154	3.4
103.05478	0.8
103.96643	0.7
105.07036	23.9
107.05008	0.8
107.08597	22.3
109.06530	0.9
109.10159	24.5
109.63387	0.7
111.11701	1.7
117.06989	3.9
119.04948	0.9
119.08577	21.6
120.08102	0.9
121.10149	17.7
123.11710	11.8
129.07019	1.3
129.10182	0.8
130.07785	0.8
131.08578	10.3
133.10135	18.1
135.11687	14.6
137.05974	1.0
137.13210	2.2
141.06960	0.9
143.08575	1.8
144.09282	0.8
145.10121	15.6
147.11681	18.3
149.13258	12.9
153.07011	1.6
155.08569	1.0
157.10083	1.1
158.10892	1.0
159.11696	13.6
160.12569	0.7
161.13251	19.5
163.14824	8.7
165.07002	3.7
168.05736	0.9
169.06406	1.0
169.10144	0.8
171.11742	1.4
173.13269	11.8
175.14835	14.2
177.16418	3.6
179.10846	0.8
181.06544	1.3
182.07431	1.1
183.08031	3.0
185.13196	1.0
187.14832	12.1
189.16382	10.3
191.17982	0.8
193.06604	0.7
195.07843	0.7
196.05191	1.2
197.06047	1.1
199.14944	0.9
201.16377	11.8
203.17960	1.5
210.06796	1.4
211.07523	5.5
212.08218	1.0
213.05316	1.2
215.17969	14.7
226.08966	1.2
227.07092	1.2
228.07710	1.5
229.19443	4.4
239.07092	1.4
240.07767	0.9
243.21019	1.9
256.07123	0.9
271.06046	7.1
271.09680	9.2
271.24213	100.0
272.09399	2.4
272.24478	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	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02158	0.1
51.02382	0.3
51.07406	0.2
53.00297	0.2
53.25601	0.1
54.28190	0.1
55.01863	0.4
55.05507	0.4
65.03943	0.6
67.01865	6.6
67.05507	1.3
68.99783	3.4
69.03429	1.7
69.07066	0.3
70.06586	0.6
71.05025	0.2
71.57754	0.2
72.08147	0.3
79.01845	0.3
79.05487	0.4
81.03411	0.7
81.07047	2.4
83.01344	0.7
83.04996	0.2
84.04499	0.3
84.08144	0.9
85.02896	0.2
85.06551	0.2
85.70657	0.2
86.09705	0.6
87.00845	0.4
91.05481	7.0
92.99784	0.2
93.07030	0.6
95.04960	2.3
95.08605	0.5
97.02887	1.4
103.05488	0.2
105.07034	0.4
107.04952	2.3
107.08582	0.4
109.06499	0.2
109.10172	0.3
111.00793	0.6
111.04459	0.3
119.04939	15.8
119.08553	0.3
120.04431	0.4
120.05206	0.2
120.08089	0.2
121.02861	0.5
121.06508	1.8
123.04433	3.4
123.11707	1.1
124.07670	0.2
125.02332	0.8
127.03931	0.4
129.01833	0.7
129.07022	0.2
129.10249	0.3
131.04880	0.2
131.08548	0.2
133.10106	0.4
135.11694	0.1
137.05960	0.4
140.73938	0.1
141.12752	0.3
145.10156	0.2
147.04405	38.2
147.73970	0.2
148.04782	0.5
149.05981	0.6
151.03906	0.6
151.07542	0.4
151.11186	0.7
152.06163	0.4
153.01822	100.0
153.06837	1.1
154.02153	1.4
157.06517	0.3
159.11618	0.2
167.03352	0.2
171.02884	25.4
172.03188	0.2
179.03386	1.3
181.06499	1.4
189.05511	0.8
195.08005	0.3
198.06860	0.2
199.07443	0.2
207.06514	0.2
213.09134	0.8
231.06589	0.9
241.08549	0.6
244.36485	0.2
255.06491	0.6
257.07855	0.2
273.07556	64.8
274.07886	2.1
274.10715	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	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.62048	1.4
55.01863	3.4
55.05508	7.9
57.07064	4.1
63.04142	1.3
67.05504	15.2
68.60841	1.4
69.07071	15.9
69.91625	6.9
69.92043	3.0
70.06575	1.9
71.08619	1.6
79.05505	11.1
81.07053	36.5
83.08617	6.9
84.08146	1.3
91.05477	8.2
93.07053	17.9
95.04969	2.0
95.08607	29.3
97.06525	4.2
97.10137	4.2
97.45399	1.3
105.07033	17.2
107.08591	24.5
109.10158	25.3
110.07187	1.8
117.07014	3.8
119.08562	22.3
121.10149	18.2
123.11696	11.4
131.08585	7.2
133.10139	14.2
135.11678	9.6
136.75983	1.3
137.13243	1.7
143.08542	2.4
145.10123	13.9
147.11693	12.5
149.13271	13.4
153.01860	1.7
157.10091	1.6
159.05551	2.6
159.11702	17.6
160.02580	1.5
161.13252	19.3
163.14806	12.1
173.13248	10.0
175.14821	13.9
177.16412	3.1
183.10315	1.7
183.11728	2.0
187.14757	9.3
189.16348	4.2
201.16353	11.9
203.17926	2.2
209.39058	1.3
215.17984	17.5
226.12230	3.8
227.08131	1.6
227.11685	2.4
228.12456	1.6
229.19542	3.9
243.15068	3.4
243.21011	1.7
256.11951	2.3
271.06021	21.6
271.09625	2.7
271.14474	8.3
271.17053	2.9
271.24210	100.0
272.09152	2.1
272.25839	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	271.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.05505	8.1
57.07067	3.2
61.30191	1.1
63.54619	1.0
67.05177	1.6
67.05503	17.0
69.07063	13.4
70.06595	2.0
71.08596	1.2
71.15569	2.7
77.03918	1.1
79.05487	8.5
81.07051	33.4
83.08622	7.7
84.08128	1.4
86.09684	1.7
91.05460	11.1
93.07038	19.0
95.04950	1.2
95.08601	32.5
97.10168	3.8
98.07153	1.0
105.07018	20.9
107.08587	28.5
109.10159	28.4
111.11725	1.3
117.07008	3.9
119.07727	1.7
119.08574	27.3
121.10143	17.5
123.11715	11.2
129.06958	1.2
131.08566	9.1
133.10114	18.2
135.11690	12.1
137.13274	2.6
143.08591	1.5
145.10114	12.3
147.11682	16.1
149.13255	17.0
157.10173	1.3
159.08083	4.0
159.10521	1.1
159.11705	17.8
161.13266	19.3
163.14841	14.6
167.03427	1.3
173.13284	10.6
175.14789	15.9
177.16379	3.5
185.13377	1.5
187.14787	7.9
189.16336	7.2
201.16394	14.2
201.65692	1.2
213.16301	1.7
215.17953	18.7
225.16389	1.2
229.19554	3.3
243.21161	1.9
271.06018	13.9
271.09076	1.6
271.24194	100.0
272.06241	1.6
272.09036	2.1
272.24680	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	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.22461	1.6
55.05502	8.1
57.07050	3.4
58.79498	1.7
62.78280	1.6
67.05499	12.1
69.07071	14.3
70.06583	2.4
70.41972	4.8
74.37424	1.6
78.90440	1.6
79.05481	7.5
81.07055	30.6
83.08604	6.3
84.08134	1.9
91.05464	11.7
93.07044	18.2
95.08606	29.2
98.21446	1.6
103.05425	2.1
105.07021	20.2
107.08588	25.2
109.06482	2.4
109.10144	29.1
117.07008	5.8
119.00047	1.5
119.08577	17.1
121.10134	16.9
123.11729	8.4
131.08539	9.3
133.10139	13.4
135.11687	10.6
137.13203	2.9
142.16092	1.6
145.10107	13.1
146.25070	1.6
147.11665	13.4
148.07588	1.6
149.13257	13.9
153.01790	4.1
153.06604	2.1
159.11708	14.7
161.13229	15.6
163.14830	6.7
167.03374	4.2
173.13245	7.2
175.14810	12.3
177.16406	4.2
187.14761	13.0
189.16409	13.3
199.14748	1.7
201.16380	13.1
215.17923	17.6
229.19572	3.1
243.21111	3.1
271.05963	40.2
271.09589	4.9
271.24185	100.0
272.06360	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	271.0964
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
55.01847	1.0
55.05508	0.6
58.23201	0.4
67.05480	0.6
68.99776	1.7
69.03396	0.6
69.07073	0.5
69.53825	3.2
79.05531	0.3
81.03382	0.5
81.07055	1.2
91.05463	1.7
93.07042	0.5
95.08604	0.6
97.02900	0.8
97.10167	0.4
99.04463	0.5
100.17273	0.4
103.05457	4.7
105.07028	0.5
109.02861	0.4
109.10126	0.4
111.04436	0.7
119.08546	0.4
123.50167	0.4
123.92164	0.4
124.01550	2.8
127.03932	0.5
131.04933	6.4
131.08592	0.4
135.11661	0.6
137.02339	0.5
139.03899	0.5
152.01013	2.3
153.01790	0.4
167.03394	100.0
168.03772	1.0
170.02113	3.9
216.78658	0.4
229.08604	1.1
271.06079	6.8
271.09653	23.6
271.24170	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	271.144
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.37201	2.1
54.64470	2.1
55.05492	4.1
57.07063	4.8
67.05486	4.2
69.07059	4.0
71.51213	2.4
79.05484	4.8
81.07035	5.4
83.08572	2.7
91.05446	4.9
93.22570	2.1
95.08609	3.8
105.07045	3.8
107.08556	3.6
108.08078	14.1
109.10160	5.1
110.71723	2.3
111.21595	1.9
117.06973	2.9
119.04930	3.6
119.08556	6.0
121.10132	3.1
123.11733	2.4
133.10149	4.1
135.11697	2.7
143.08495	2.7
145.10081	4.7
147.11720	3.1
153.01830	3.0
159.08041	5.3
161.13249	3.4
167.03404	3.3
168.08049	5.6
168.09348	2.6
169.08893	2.6
170.09592	3.6
173.13232	2.3
183.10417	8.5
185.10883	2.9
186.11420	2.9
196.07504	5.2
197.08331	10.2
198.12784	9.9
199.08653	8.0
200.12874	3.2
201.16397	2.9
208.11124	3.1
211.09898	17.5
212.86383	2.3
213.10182	14.6
214.10931	6.9
215.15401	4.0
226.12276	38.9
227.11749	27.8
228.12576	32.1
241.09825	3.1
243.14944	27.7
253.13358	4.5
255.11272	27.4
256.12070	37.9
271.06033	45.2
271.14398	100.0
271.24161	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	271.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01868	9.0
55.05511	29.3
56.05026	3.8
56.96537	4.1
57.03435	4.7
57.07066	4.1
65.03948	4.4
67.05500	39.0
68.53738	3.6
68.57044	3.8
69.03416	11.3
69.07061	42.5
70.06573	21.2
71.01355	4.1
71.04986	17.5
71.24809	6.7
72.08150	13.7
77.03932	3.9
79.05496	41.3
81.03397	9.6
81.07050	63.0
81.18491	4.4
83.04981	23.2
83.08612	24.2
84.04507	7.0
84.08143	21.6
85.06538	12.9
86.09707	12.6
91.05480	40.7
92.88684	4.1
93.07040	82.2
95.04967	23.5
95.08603	64.1
97.06519	36.1
97.10168	6.6
98.06824	3.9
98.97585	5.5
99.04444	25.0
105.07028	51.1
107.04957	13.0
107.08580	35.5
109.02898	5.3
109.06512	30.6
109.10181	27.9
110.07178	8.6
111.04431	11.4
111.08073	15.8
113.05992	11.1
115.05421	7.6
116.06322	4.8
119.04922	8.8
119.08571	34.9
120.08082	13.8
121.06491	92.7
121.10122	24.7
123.04424	12.5
123.08041	10.2
123.11718	8.5
125.06004	19.2
125.06814	4.0
127.07523	10.3
129.06963	5.1
129.10216	12.2
131.08575	15.4
133.06465	6.2
133.10123	27.9
134.05978	5.6
135.04401	12.6
135.08061	11.2
137.05991	9.5
139.07533	30.9
141.07072	3.8
143.07059	12.9
143.08524	13.4
145.10085	11.8
147.08052	5.1
147.11674	53.0
149.09618	6.3
149.13284	5.6
151.11226	6.8
153.01811	11.3
153.06972	5.6
155.08528	9.3
156.09343	4.1
157.08588	17.7
157.10010	20.0
159.06544	10.2
159.11597	6.0
161.13260	24.5
165.07002	12.2
165.12773	17.0
171.11757	23.3
173.09486	5.7
175.11186	29.1
175.14821	5.8
181.10152	6.6
183.07985	11.5
189.12724	26.8
193.12227	30.5
196.05215	7.4
199.11214	26.6
201.16566	4.6
205.19356	3.8
207.13811	17.0
211.07541	14.5
211.13226	23.1
217.12204	100.0
221.06102	7.3
235.13246	59.6
239.06897	8.3
243.10109	5.0
253.14351	42.0
256.07358	5.1
271.06030	86.0
271.09900	36.8
271.14697	14.8
271.20734	3.8
271.24252	23.4
272.06436	7.5
272.09171	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	270.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07006	1.0
55.05500	2.4
56.05047	2.2
60.04517	1.4
65.03938	1.2
67.05495	2.5
70.02941	3.6
70.06589	18.5
71.06908	0.9
71.50826	1.2
72.08152	35.0
72.93794	1.1
74.06067	1.1
77.75773	0.8
79.05493	1.4
80.05034	0.9
81.07061	5.9
82.00801	1.0
84.04499	4.1
84.08139	9.0
86.06081	1.1
86.09696	11.4
88.03998	5.4
91.05477	22.9
91.06030	1.3
93.07043	1.0
98.06033	1.4
107.04952	3.7
109.06540	4.6
110.07177	6.7
111.07509	1.0
112.08731	3.2
113.37668	0.9
115.08696	1.7
116.07102	1.2
119.04939	15.5
120.08096	3.2
122.06057	0.9
124.07580	1.4
129.10229	3.8
130.08669	1.0
134.06007	1.0
135.04425	1.6
136.07565	7.2
137.05966	100.0
147.04356	1.1
152.07079	1.9
153.07339	1.0
156.07660	1.7
157.10864	4.8
163.03838	1.4
165.07845	1.2
166.03209	1.7
176.98495	1.2
183.14935	2.5
197.06044	1.8
200.98489	1.4
206.08191	1.2
208.13316	85.3
209.13625	1.7
216.36595	1.1
218.99449	0.9
224.09200	1.9
242.08099	1.5
242.19736	3.9
246.98961	2.0
252.15936	8.9
253.05147	1.1
270.07739	4.8
270.11310	1.9
270.16925	26.3
270.25006	1.1
270.27911	1.6
271.05920	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	271.06
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03941	0.2
53.38581	0.2
55.01858	0.2
55.05500	0.9
56.69599	0.2
57.07059	0.5
58.22404	0.2
59.93127	0.2
65.03944	0.3
67.01861	1.4
67.05503	1.1
68.63369	0.2
68.99792	1.2
69.07077	1.2
69.95968	0.4
69.96360	0.5
70.06575	0.3
71.04977	0.2
75.54597	0.2
79.05486	0.7
81.07061	2.4
83.08601	0.6
84.08117	0.3
86.09694	0.2
89.33892	0.2
91.05479	3.0
93.07056	1.0
95.04985	0.4
95.08614	2.2
98.20794	0.3
105.07024	1.3
107.08581	1.1
109.02838	0.3
109.10157	0.7
111.00806	0.2
115.05470	0.3
117.06983	0.5
119.04935	5.6
119.08587	1.3
121.02863	1.8
121.10148	0.8
123.11675	0.5
125.02283	0.2
129.01863	0.5
129.06937	0.3
131.04898	0.4
131.08548	0.6
131.71585	0.2
133.10124	0.8
135.11703	0.4
137.05977	0.3
141.06995	0.5
143.08522	0.4
145.02853	1.7
145.10117	0.6
147.11673	0.9
149.02364	0.6
149.13292	0.3
153.01825	12.1
157.10062	0.3
158.57074	0.2
159.04410	0.3
159.08029	0.6
159.11693	1.1
161.13231	0.6
163.03894	1.0
163.14853	0.3
165.07033	0.7
167.03380	0.7
168.05745	0.2
169.06497	0.5
171.02908	1.8
173.05925	0.3
173.13301	0.5
175.14825	0.5
183.08031	0.3
187.03912	0.5
187.14760	0.5
197.05966	0.5
201.16336	0.7
209.86818	0.2
210.06689	0.2
211.03923	0.3
211.07518	0.5
213.05263	0.2
215.07086	1.3
215.18007	0.7
225.05466	0.7
226.12270	0.5
227.11696	0.3
229.04979	0.4
243.06451	1.2
243.10152	0.2
243.14966	0.5
247.05934	0.2
253.04970	0.5
255.11244	0.2
256.12033	0.2
266.47989	0.2
271.06009	100.0
271.24213	3.2
272.06329	1.5
286.17502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03419	2.6
55.01860	6.0
55.05511	23.3
57.03437	29.2
57.07064	12.0
65.11068	2.6
67.05502	71.4
69.07073	32.3
70.06596	2.5
71.04973	7.6
71.08647	3.7
71.23088	2.4
71.55731	2.5
79.05495	38.1
81.03411	4.7
81.07057	100.0
81.07536	6.4
83.04963	12.5
83.08624	24.0
85.06528	6.8
91.05482	33.9
93.06493	4.3
93.07041	65.1
95.04968	7.9
95.08606	33.3
95.23972	2.4
97.06532	21.2
99.08143	3.6
105.07030	10.6
107.08595	41.3
109.06468	5.3
109.10142	6.7
109.81332	3.3
111.08062	9.4
117.07001	13.7
119.08573	7.1
121.06490	4.5
121.10130	24.1
123.11701	3.6
131.08548	13.6
133.10118	15.6
135.08069	3.4
135.11656	14.7
136.06163	5.8
137.06570	3.7
149.13254	36.5
157.10091	4.0
159.11705	19.8
177.12746	11.2
183.20363	2.7
195.13759	14.8
233.99162	2.7
240.30064	2.7
252.61946	3.2
269.08191	4.5
269.17398	57.4
269.22357	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	270.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34942	3.5
55.05501	5.0
56.05038	8.6
57.57619	4.2
60.04534	7.7
69.59103	28.1
70.06591	100.0
72.08153	17.1
79.05476	7.5
82.05341	4.4
83.06110	12.1
84.04518	11.1
84.08154	31.3
84.14510	4.1
85.02888	5.7
85.07697	4.3
86.09717	15.6
88.03983	14.6
88.07650	4.8
91.05475	9.6
93.04537	6.7
94.06572	5.2
95.04991	4.8
95.06082	6.5
98.06005	6.1
98.21520	5.0
107.04948	15.2
110.06070	5.5
110.06337	4.6
110.07168	83.1
111.06835	6.5
111.07502	27.0
112.07606	4.8
112.08732	13.4
116.07117	6.1
119.04941	6.6
120.08109	13.3
121.06525	29.6
122.06082	7.2
127.08716	23.2
129.10251	17.5
130.08578	4.5
131.97371	4.5
134.06021	8.0
135.04404	7.6
136.06183	52.8
136.07541	15.4
137.05801	7.3
137.06566	14.7
138.06825	8.9
138.07785	15.3
138.12787	5.2
139.04988	13.0
140.03448	8.8
147.04349	5.1
149.97340	3.6
150.05403	8.5
152.07079	29.4
155.08189	11.6
156.07706	15.0
157.10863	12.4
166.03252	6.5
179.08574	5.7
183.15057	5.6
207.08165	5.5
208.12294	5.9
218.12425	4.2
224.10762	5.4
239.03096	4.2
242.19730	17.7
252.08925	4.8
252.12416	7.1
252.15416	5.7
270.07901	15.5
270.11404	16.2
270.14252	10.4
270.18707	8.0
271.05862	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	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.37157	3.7
50.79148	3.2
53.03947	4.7
55.01876	5.0
55.05510	29.0
56.26403	3.9
57.03435	34.3
57.07058	8.8
64.78317	4.1
65.03936	5.5
67.05503	87.4
69.07059	32.2
69.34050	16.2
69.34480	16.5
71.04999	9.2
79.05495	51.1
81.07054	100.0
83.04972	12.5
83.08604	20.4
85.06553	6.7
91.05486	38.7
93.07041	75.4
95.04964	7.1
95.08617	34.0
97.06535	17.2
97.10122	5.9
105.07021	12.4
107.08601	44.8
109.06561	3.7
109.10153	8.6
111.08087	8.2
117.06976	10.0
119.08595	6.5
121.02838	5.8
121.10129	30.9
122.26941	4.0
123.11699	4.5
131.08574	13.6
133.10110	19.1
135.11696	14.0
136.06134	5.3
137.06552	6.4
137.85397	4.2
143.08528	4.9
145.10062	5.2
149.09633	11.1
149.13251	43.8
159.11707	24.7
177.12735	11.0
195.08012	4.0
195.12219	3.5
195.13820	17.3
251.20097	4.4
269.07953	5.5
269.17438	53.7
269.22559	7.4
287.17447	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.30743	0.5
51.88847	0.6
53.03947	2.1
55.01872	3.2
55.05509	22.4
57.03436	36.9
57.07077	6.2
62.00598	0.6
65.03935	2.8
67.05503	77.3
68.05818	0.7
69.03423	1.4
69.07065	34.6
70.06593	1.3
70.17928	2.6
71.01352	1.0
71.04993	6.7
71.08651	1.3
77.03928	0.6
79.05492	48.3
81.03422	2.6
81.07053	100.0
82.07401	1.1
83.04979	10.5
83.08617	21.4
83.45819	0.6
84.08143	1.2
85.02924	0.9
85.06541	6.3
86.09700	1.3
91.04906	1.1
91.05479	23.7
93.07040	74.1
94.07349	0.8
95.04971	6.2
95.08605	30.3
97.06528	15.1
97.10154	2.8
99.04498	0.9
99.08099	4.5
103.05466	0.9
105.04523	1.2
105.07027	10.8
107.04946	0.8
107.08590	41.4
109.06509	4.0
109.10140	5.8
110.07173	1.6
111.08083	9.9
111.11723	2.3
113.06031	1.2
113.09650	0.8
115.05490	0.8
117.07021	8.9
119.08575	5.2
119.42750	0.5
120.08106	0.8
121.06504	1.6
121.10142	25.9
123.11691	3.4
125.05949	0.9
125.09576	0.7
127.07581	0.8
129.07019	1.1
131.08574	12.1
133.10130	9.9
135.08075	1.9
135.11681	11.3
136.06152	0.8
139.11168	2.0
142.07822	1.0
143.08557	2.3
144.09276	0.6
145.10136	2.9
147.11707	3.3
149.13254	49.0
151.11205	0.9
155.08444	0.6
157.10104	3.5
159.11682	21.4
161.13278	1.0
161.78242	0.7
167.14345	1.7
171.11707	2.6
173.13260	2.0
175.14877	1.1
177.12746	8.0
185.13252	2.7
187.14767	1.0
191.17990	0.9
195.13788	10.8
199.14871	2.2
211.14830	0.9
213.14713	0.8
213.16492	3.1
227.17900	1.0
251.20061	0.9
269.08151	1.1
269.17471	35.3
269.22491	12.9
269.25110	0.6
270.17603	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	3.9
55.01867	3.1
55.05510	20.8
57.03429	35.2
57.07064	4.7
63.35312	1.0
65.03941	1.5
67.05500	78.4
69.03426	1.4
69.07063	31.7
70.06602	1.5
71.01362	1.7
71.04997	6.4
71.60024	1.5
71.60385	1.5
73.02914	1.0
78.17176	1.2
79.05486	42.8
81.03407	3.6
81.07050	100.0
82.07399	1.1
83.04974	8.1
83.08613	19.2
84.08131	1.5
85.06538	6.5
91.05477	22.0
93.07034	69.2
94.30639	1.1
95.04967	8.3
95.08598	26.2
97.06528	14.9
97.10161	3.3
99.08080	3.6
105.07021	10.2
107.04961	1.8
107.08585	36.1
109.06507	3.6
109.10158	4.2
110.07162	1.2
111.08085	9.3
111.11720	2.7
115.05489	1.4
115.11814	1.1
117.06989	10.5
119.08560	5.3
121.06509	2.3
121.10132	20.8
123.11664	5.9
129.06966	1.5
131.08551	12.1
133.10107	11.0
135.08034	1.7
135.11690	9.7
137.06570	1.3
139.11140	2.6
143.08598	2.6
145.10121	3.6
146.20892	1.1
147.11682	3.9
149.09627	1.3
149.13248	48.2
150.13496	1.3
151.11220	1.8
157.10141	2.3
159.11684	22.5
167.14349	1.9
171.11671	2.5
173.13341	2.1
177.12694	8.7
185.13313	2.8
187.14905	1.6
195.13757	11.1
198.11255	3.0
199.14812	2.6
213.16417	2.8
215.10381	1.2
221.48563	1.2
227.17883	1.5
269.08139	3.8
269.10764	1.4
269.17444	36.7
269.22324	9.8
287.11279	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	269.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74643	5.2
54.10707	5.2
55.01871	9.7
55.05504	26.9
56.24847	5.6
56.69893	5.2
57.03416	22.1
57.07061	8.7
65.31123	5.7
67.05499	59.3
67.94617	4.9
69.03414	10.5
69.07069	37.8
70.06568	17.0
70.76325	6.3
70.76649	12.2
71.04975	16.2
72.08135	9.2
79.05489	51.3
81.07049	100.0
83.04952	19.6
83.08620	13.0
84.04504	11.6
84.08128	22.6
85.06537	12.2
86.09688	23.1
91.05473	45.7
93.07032	74.8
95.04935	16.1
95.08602	28.8
97.06513	40.1
97.10169	9.5
99.04436	8.0
99.08034	5.7
105.06992	29.4
107.04952	20.2
107.08590	43.5
109.06512	12.5
109.08451	6.3
109.10133	9.0
110.07152	19.4
111.08019	7.9
113.05995	6.9
117.06991	16.7
119.04862	7.2
119.08575	8.9
120.08118	26.9
121.02869	13.6
121.06481	16.4
121.10156	17.5
123.11688	7.3
125.05988	13.0
125.09677	8.0
127.07511	7.5
129.07002	8.7
129.10295	7.3
130.07715	6.5
130.09532	5.2
131.08597	14.5
133.06487	9.7
133.10150	18.1
135.08073	10.5
135.11693	14.3
136.06145	10.5
136.07625	6.5
137.05891	28.5
138.06345	14.0
139.07512	7.1
143.08525	9.4
145.10103	24.3
149.13240	16.7
151.13110	10.5
155.08424	6.3
156.07690	6.3
159.11642	29.1
163.11137	27.7
167.08464	6.7
173.09615	16.3
173.13203	6.4
177.12727	11.6
181.12184	8.1
187.11145	21.9
191.10600	11.9
195.08148	8.1
195.13936	6.7
197.09647	6.0
198.06731	6.1
205.12277	13.1
209.11659	10.6
215.10689	20.5
224.16408	14.4
225.16763	85.3
233.11725	18.2
234.12056	11.6
241.08739	9.8
251.07043	6.9
251.12689	13.8
252.13206	13.2
269.08206	33.1
269.12558	9.6
269.17206	20.1
269.19412	30.6
269.22153	11.0
275.23773	6.6
278.59811	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	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.4
55.01865	5.2
55.05497	11.9
55.74385	5.2
57.07060	7.0
65.03934	6.1
67.05490	39.8
69.03445	5.5
69.07061	16.9
69.34780	52.5
70.06579	7.4
71.04992	26.1
76.30393	4.6
79.05490	42.8
81.07051	57.2
83.04979	35.9
84.08145	11.7
85.06541	13.5
86.09686	8.3
91.05482	52.6
93.07043	100.0
95.04961	28.6
95.08600	27.8
97.06519	14.9
99.04431	22.2
105.07030	64.6
107.04965	14.9
107.08591	51.1
109.06516	82.4
109.10158	14.5
110.07198	8.8
111.04419	24.7
111.08054	10.7
117.07009	23.1
119.04887	7.0
119.08571	20.9
120.08089	5.5
121.06523	11.3
121.10135	29.2
123.08070	8.2
123.11688	5.9
125.06011	6.6
127.07589	5.6
128.06279	6.5
129.07011	11.4
130.07835	6.7
131.08574	37.9
133.06493	9.7
133.10168	6.1
135.08040	42.2
135.11633	7.5
136.06204	9.5
137.05951	65.9
143.08586	15.7
145.06468	9.5
145.10109	97.9
147.08044	16.1
147.11661	10.2
149.06088	5.4
149.09573	13.5
149.13292	5.9
151.07561	13.8
153.09126	12.1
153.12723	11.8
155.08524	6.1
158.07306	7.9
159.08032	6.4
159.11682	29.9
159.91458	4.9
161.09671	5.6
161.13214	6.0
163.11205	33.5
167.10641	8.8
173.09615	42.0
187.11136	32.4
189.09123	5.8
189.12761	8.3
191.10649	82.9
205.12210	40.6
208.05095	5.9
209.11742	17.8
214.93633	6.9
215.10577	28.2
223.13297	6.5
233.11688	43.3
251.12752	31.2
269.08255	6.1
269.13733	14.8
269.22672	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	269.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.3
55.01861	14.8
55.05502	28.6
57.03431	19.4
57.07063	7.4
67.05495	64.3
69.03430	11.2
69.07059	42.0
69.90121	37.1
70.06581	21.3
71.04979	12.7
72.08131	16.1
72.31713	6.4
79.05492	57.0
81.03410	12.9
81.07052	100.0
83.04979	20.8
83.06123	6.8
83.08620	19.7
84.04497	8.2
84.08145	48.3
85.06558	12.1
86.09694	37.2
88.88300	5.8
91.05482	50.2
93.07040	77.0
95.04976	18.9
95.08569	34.6
97.06506	49.3
98.06859	7.7
103.05463	10.5
105.07018	56.4
107.04939	16.1
107.08586	39.5
109.06493	18.2
109.10162	12.6
110.07162	37.4
111.08085	7.0
115.05432	7.8
117.07048	16.5
119.04897	13.5
119.08591	15.8
120.08112	34.6
121.06488	16.8
121.10167	17.3
123.11676	7.2
125.05935	10.1
125.09612	7.4
127.07561	7.4
129.06917	8.6
129.10208	16.7
131.08528	18.4
133.06477	8.1
133.10101	10.9
135.08040	12.1
135.11699	21.8
136.06149	9.0
136.07628	8.6
137.05988	22.6
137.13330	6.9
138.06387	9.2
145.10130	32.3
147.08040	7.7
149.13268	18.4
159.04451	8.1
159.11667	27.7
163.11171	43.4
173.09639	26.8
177.12769	10.9
181.12218	17.1
187.11156	17.7
187.14763	8.3
191.10640	7.5
197.09708	9.8
205.12239	15.7
209.11673	9.4
215.10709	24.1
225.10316	7.1
225.16794	57.2
233.11755	12.9
234.12106	13.5
251.12683	12.6
252.13103	12.5
269.08136	24.4
269.12991	7.7
269.17395	27.7
269.19424	24.2
269.22159	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	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92308	8.0
53.03941	15.4
55.01862	15.0
55.05511	55.2
57.03427	23.3
62.07191	7.5
67.05505	68.8
69.03425	77.8
69.07058	54.0
69.70278	24.0
69.70701	34.0
70.06575	13.0
71.04986	31.4
79.05500	66.4
81.03428	46.0
81.07050	86.6
82.04184	14.6
83.04975	72.0
83.08624	23.5
84.04498	9.6
84.08146	20.2
85.02911	11.5
85.06546	10.7
86.09699	15.9
91.05457	53.9
93.07042	88.8
95.04958	36.3
95.08610	53.1
97.02895	11.9
97.06535	69.7
103.05412	11.7
105.07024	71.8
107.04921	16.7
107.08588	57.6
109.06510	34.8
109.10111	14.7
110.07156	19.3
111.04457	22.2
111.08089	100.0
113.06011	8.5
113.09660	9.3
117.07013	34.2
119.04912	15.5
119.08575	21.9
120.08152	11.3
121.06487	49.5
121.10130	24.6
123.08050	11.2
125.05952	30.5
127.07570	13.2
130.07758	11.3
131.08562	19.3
133.06480	9.3
133.10027	8.7
135.04356	12.0
135.08055	30.0
135.11687	23.5
136.06140	20.4
136.37413	7.7
137.05908	22.4
139.07536	89.3
141.09082	61.2
143.06979	8.5
143.08583	18.5
144.09338	8.6
145.06425	11.6
145.10126	90.8
151.07521	24.4
159.08060	9.7
159.11664	54.8
161.13264	15.8
163.11188	99.0
169.10219	8.5
173.09639	38.3
177.12790	10.3
179.08572	10.0
181.12201	16.9
187.11176	54.3
191.10677	29.3
197.09578	17.8
205.12204	13.9
209.11723	82.1
215.10669	48.7
227.12715	8.2
233.11748	26.2
251.12605	16.0
269.08185	19.0
269.13885	31.4
269.22598	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	268.1039
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.39471	0.1
55.01870	0.3
56.15766	0.2
57.03424	0.6
63.25327	0.1
65.50050	0.2
69.03423	0.2
69.94691	0.8
71.01342	0.2
73.02912	0.4
79.88522	0.2
85.02892	0.4
87.04478	0.2
94.04053	0.3
115.03942	0.3
119.03552	0.5
133.04944	0.3
134.96126	0.4
135.03246	0.2
136.06178	100.0
137.04530	0.5
137.06494	0.5
164.93498	0.6
188.93524	0.2
268.10403	4.4
268.94650	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.75745	0.2
57.03426	0.3
61.55117	0.2
71.31833	0.5
85.02905	0.3
94.04041	0.2
111.91563	0.2
119.03538	0.8
136.06177	100.0
137.04594	0.2
137.06549	0.4
268.10403	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	268.1543
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
53.95919	0.2
67.34753	0.3
70.06594	0.5
70.21859	1.1
84.08139	2.0
109.12483	0.3
116.44048	0.3
119.08564	0.3
123.04436	0.3
128.06171	0.8
131.04987	0.3
131.08543	0.7
136.06186	7.4
137.05948	0.5
143.08565	2.5
145.06488	0.4
148.05164	0.4
149.05957	0.4
152.07072	0.4
154.96622	0.3
159.08040	1.4
160.05183	1.2
160.07561	0.3
160.11252	1.5
161.05977	2.3
162.05484	1.2
164.07065	3.7
171.08017	1.7
174.06737	0.5
176.07010	0.5
177.07845	25.7
178.08316	0.7
178.59412	0.3
187.07570	0.3
188.10721	2.0
189.09042	1.9
204.10220	0.5
206.11755	100.0
207.12097	1.3
250.14381	17.0
268.15424	25.1
269.15793	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	269.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92308	8.0
53.03941	15.4
55.01862	15.0
55.05511	55.2
57.03427	23.3
62.07191	7.5
67.05505	68.8
69.03425	77.8
69.07058	54.0
69.70278	24.0
69.70701	34.0
70.06575	13.0
71.04986	31.4
79.05500	66.4
81.03428	46.0
81.07050	86.6
82.04184	14.6
83.04975	72.0
83.08624	23.5
84.04498	9.6
84.08146	20.2
85.02911	11.5
85.06546	10.7
86.09699	15.9
91.05457	53.9
93.07042	88.8
95.04958	36.3
95.08610	53.1
97.02895	11.9
97.06535	69.7
103.05412	11.7
105.07024	71.8
107.04921	16.7
107.08588	57.6
109.06510	34.8
109.10111	14.7
110.07156	19.3
111.04457	22.2
111.08089	100.0
113.06011	8.5
113.09660	9.3
117.07013	34.2
119.04912	15.5
119.08575	21.9
120.08152	11.3
121.06487	49.5
121.10130	24.6
123.08050	11.2
125.05952	30.5
127.07570	13.2
130.07758	11.3
131.08562	19.3
133.06480	9.3
133.10027	8.7
135.04356	12.0
135.08055	30.0
135.11687	23.5
136.06140	20.4
136.37413	7.7
137.05908	22.4
139.07536	89.3
141.09082	61.2
143.06979	8.5
143.08583	18.5
144.09338	8.6
145.06425	11.6
145.10126	90.8
151.07521	24.4
159.08060	9.7
159.11664	54.8
161.13264	15.8
163.11188	99.0
169.10219	8.5
173.09639	38.3
177.12790	10.3
179.08572	10.0
181.12201	16.9
187.11176	54.3
191.10677	29.3
197.09578	17.8
205.12204	13.9
209.11723	82.1
215.10669	48.7
227.12715	8.2
233.11748	26.2
251.12605	16.0
269.08185	19.0
269.13885	31.4
269.22598	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	267.0861
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
53.71753	0.4
55.01861	3.0
55.05509	4.5
57.03427	0.5
67.01862	1.1
67.05510	1.0
69.07066	0.5
70.38336	0.4
71.12662	1.1
79.05479	0.8
81.03405	2.4
81.07049	1.4
83.04964	0.9
91.05485	1.3
93.07044	0.6
95.04947	1.0
95.08613	0.8
99.04470	0.5
105.07015	1.2
109.06529	0.6
109.10184	0.7
111.04406	0.9
111.89723	0.5
121.10199	0.5
121.55807	0.5
123.04430	0.9
137.05988	1.6
137.09587	0.5
138.84254	0.6
141.05466	1.5
151.03812	0.6
153.05484	1.0
161.05898	0.5
165.05464	0.7
165.09036	0.7
167.03395	88.0
168.03687	1.0
175.07471	0.6
175.11031	0.5
179.03407	2.2
193.04941	1.6
193.08571	2.4
195.06563	1.4
205.04956	6.8
207.06664	2.6
221.08084	100.0
222.08417	1.7
223.06088	1.4
249.07582	95.6
250.07976	2.1
267.08603	6.7
267.15997	1.8
267.20996	0.6
285.88907	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	267.1953
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
52.06457	1.4
53.03941	6.3
55.01865	11.0
55.05508	72.9
57.03419	5.8
57.07063	2.3
67.05177	2.8
67.05502	26.3
69.03437	2.5
69.07065	18.7
70.06568	1.9
71.04975	3.7
71.51862	2.3
79.05494	20.7
81.03410	28.1
81.07047	21.7
83.04955	5.8
83.08615	100.0
85.06565	3.0
91.05469	37.9
93.07028	28.9
95.04973	10.5
95.08601	26.0
97.06528	3.9
97.19195	1.5
105.07031	14.8
106.63139	1.4
107.04981	1.9
107.08581	6.4
109.06495	3.9
109.10136	9.1
111.08083	29.8
117.07019	3.4
119.08571	42.2
121.10139	28.0
123.08069	13.9
123.11686	2.0
129.07001	4.2
129.09111	4.4
131.08563	5.5
133.10120	12.9
135.11722	1.5
136.06184	13.8
136.07640	2.0
137.09622	22.8
139.11188	10.2
145.10117	3.3
147.08054	12.4
147.11668	8.5
149.09583	3.5
151.11188	6.2
157.10132	3.5
165.09192	2.1
165.12726	6.3
171.11722	2.1
175.11154	5.1
178.39705	1.8
185.13231	1.9
187.06277	1.6
192.22470	1.8
192.29967	1.8
193.12198	8.8
203.17917	3.4
207.06491	1.6
213.16362	3.9
231.17308	4.1
237.69795	1.7
249.07719	2.0
249.18495	19.2
267.15930	10.8
267.19467	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	268.0816
Annotation	ICM 0201
Peak:m/z	Relative Intensity
51.02399	0.7
52.73907	0.7
55.01864	0.8
56.05027	1.8
60.78520	0.8
67.05479	0.8
70.02955	1.5
70.06593	6.4
70.31121	0.7
70.75820	1.9
70.76152	1.1
71.01333	3.4
72.08139	2.4
79.05479	3.3
80.01387	1.2
81.03411	0.7
83.06058	0.9
84.04500	4.9
84.08150	6.8
86.09714	7.2
89.02393	2.4
89.03932	2.3
91.05470	1.7
95.04956	1.1
96.08168	1.3
98.02418	7.0
103.05445	1.6
105.07033	0.8
106.06574	6.0
107.04959	33.8
109.02864	3.1
109.06533	0.7
110.07135	1.8
115.05455	5.5
116.03484	1.8
117.03361	0.9
119.04936	0.9
120.08112	4.8
121.02878	6.6
123.04440	4.5
129.10239	3.5
130.05042	1.4
130.06535	3.4
131.04927	2.0
132.04500	1.8
133.02855	1.5
134.06006	7.1
135.04417	44.0
136.06183	24.4
143.04938	2.1
147.04384	2.9
148.06013	2.0
148.07643	1.2
149.05937	1.0
151.03897	2.1
152.07063	100.0
158.06006	4.5
159.04391	2.1
161.05962	4.7
162.05501	4.1
164.07019	1.1
176.07072	2.7
177.05486	2.2
177.07822	2.1
178.04962	1.4
178.12177	0.8
186.05522	10.8
187.03839	1.8
188.07053	3.1
189.05475	11.2
189.09090	0.9
190.04996	3.5
190.09627	0.9
197.83231	0.9
203.03386	2.2
204.06549	8.3
205.04904	1.6
206.11777	19.4
208.09586	1.3
214.04993	7.3
222.07600	5.2
232.06053	16.7
233.04414	1.5
237.73927	0.8
250.07108	22.2
250.14262	3.8
268.08133	6.6
268.10342	0.8
268.15396	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	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03932	2.5
53.74469	1.5
55.05509	63.1
57.03422	4.2
57.06799	1.3
57.07074	25.7
65.03934	1.5
67.05502	62.9
69.07065	82.4
69.69846	7.8
70.72668	1.5
71.04978	5.1
71.08630	11.6
79.05486	35.6
81.07050	66.7
83.04967	2.0
83.08614	58.9
85.06525	5.1
85.10159	5.0
91.05446	4.3
93.07038	41.4
93.07631	1.8
95.04952	2.7
95.08601	67.4
97.06521	21.5
97.10162	38.5
99.08095	4.2
105.07006	2.1
107.08584	25.5
109.06495	1.6
109.10149	32.3
111.08070	11.1
111.11721	14.8
119.08612	2.0
121.10137	57.4
122.07029	1.5
123.11707	14.1
125.09621	3.7
125.13253	5.2
135.11678	42.3
137.13232	4.9
139.11172	3.6
149.13260	16.5
149.69881	1.3
151.14796	7.7
153.44650	1.4
163.14792	7.3
165.16368	7.4
177.16370	4.3
191.17993	3.2
247.09196	1.3
247.24207	41.6
265.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03921	2.9
55.01867	2.3
55.05508	65.4
57.03422	4.0
57.06802	1.8
57.07072	26.4
58.72046	1.3
61.93229	1.1
67.05501	71.9
69.07066	95.4
71.04974	5.0
71.08633	13.3
71.52104	1.6
79.05487	39.4
81.07051	81.8
82.07339	1.3
83.04946	2.2
83.08614	68.0
85.06529	5.3
85.10184	7.2
91.05464	5.9
93.07039	44.7
95.04985	2.9
95.08602	80.0
96.39983	1.4
97.06522	22.2
97.10162	41.8
99.08084	4.3
105.07024	2.7
107.08582	30.5
109.10154	33.8
111.08085	13.2
111.11697	14.6
113.09660	2.6
119.08614	1.6
121.10136	68.4
122.07121	1.7
122.10460	1.3
123.11704	12.7
125.09595	5.0
125.13236	3.3
127.11202	1.8
128.37204	1.1
133.10155	1.4
135.11682	49.4
137.13254	4.2
139.11180	2.2
149.13255	20.2
151.14787	5.7
155.14301	1.9
163.14813	6.7
165.16382	5.5
169.15865	1.9
177.16345	3.1
179.17896	1.6
185.54810	1.4
191.17915	3.0
247.24205	44.6
265.25250	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	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34902	0.1
70.06591	0.1
71.03634	0.2
71.33010	0.1
76.82973	0.1
82.99888	0.3
84.08152	0.7
96.73708	0.1
101.00885	1.8
106.52726	0.1
119.01917	10.4
120.02013	0.2
122.97803	0.2
129.10243	0.3
132.26469	0.1
134.99887	0.7
137.02953	3.7
140.27025	0.1
140.32481	0.1
140.98802	0.3
142.03474	0.4
153.01021	0.6
158.99875	1.1
165.99623	0.2
168.71524	0.1
175.03027	0.3
177.00949	23.2
178.01030	1.2
179.00711	0.2
182.99770	0.5
193.03987	0.5
195.02040	0.4
198.33340	0.1
200.02483	0.5
201.00911	1.2
201.02495	0.2
217.04068	3.3
218.03740	0.2
219.01999	26.0
219.94669	0.3
220.02119	1.8
221.01967	0.4
225.00854	2.2
226.01173	0.1
237.95560	0.1
242.03619	0.9
242.96188	0.2
243.01962	7.9
244.02051	0.3
260.04700	0.3
261.03052	100.0
262.03198	3.6
263.03467	0.5
266.03595	0.6
275.04608	0.2
284.04697	5.6
285.04874	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	265.1547
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03922	0.3
55.05508	12.8
56.05023	0.6
57.05818	1.5
70.06583	1.0
71.25973	0.3
71.26303	0.3
72.08150	100.0
73.08469	0.6
84.04533	0.4
84.08143	0.5
86.09709	1.0
93.07050	0.3
103.05461	0.5
107.04999	0.3
116.85358	0.2
117.03398	0.7
120.08096	14.0
121.08440	0.3
122.07178	0.4
123.60165	0.2
125.25594	0.2
131.04848	0.3
134.73375	0.2
136.06206	0.3
145.02843	2.3
149.06042	0.5
166.08635	8.7
177.05467	4.4
217.45122	0.2
219.14977	0.3
248.12947	0.3
265.15466	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	265.1546
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
58.99252	0.3
69.07043	0.4
70.06584	1.2
71.24938	0.5
72.08150	17.3
74.11576	0.3
75.81712	0.4
81.04562	0.3
81.54533	0.4
84.04498	0.5
84.08138	0.8
85.21639	0.3
86.09699	2.5
89.03905	5.5
89.10783	12.3
91.05448	0.8
98.06042	1.1
98.61270	0.3
106.04151	0.7
115.08672	1.5
117.03368	24.6
134.03635	1.3
135.04419	0.9
137.02283	0.3
145.02835	61.4
146.03108	0.4
149.05966	9.0
163.03859	0.7
177.05458	100.0
178.05817	1.4
186.05432	0.9
248.12758	5.5
265.15466	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	265.1546
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
55.01863	0.5
55.05497	1.2
56.05019	1.7
63.00706	0.5
63.02362	0.6
65.03951	0.7
65.59311	0.4
67.05495	1.7
69.03442	2.0
69.07057	0.7
70.06596	2.9
71.04995	0.6
71.14749	0.7
71.15080	0.5
72.08155	9.9
79.05482	0.9
81.07043	1.1
84.04519	0.8
84.08130	1.8
86.09698	3.1
87.60010	0.4
89.03906	4.3
89.10797	6.1
91.05486	3.7
93.03399	0.7
93.07024	2.2
95.04968	3.0
95.08580	1.3
97.06517	0.7
98.06024	0.5
99.04405	0.5
103.05430	0.9
104.05274	0.5
105.07039	3.6
106.04882	2.3
107.04933	0.4
107.08596	1.1
109.06519	1.0
109.10151	0.5
110.07127	1.2
111.04445	2.1
113.06010	1.2
115.08679	1.7
117.03377	19.0
117.06990	1.1
117.39095	0.4
119.04932	1.1
119.08570	4.5
120.08119	2.2
120.08859	0.5
121.02866	0.8
121.06510	2.5
121.10110	0.7
122.07154	1.0
123.08051	1.2
123.76326	0.4
128.06255	0.9
129.06966	1.3
129.10225	1.2
130.07819	0.4
131.08554	2.5
133.06593	0.4
133.10146	0.9
134.03612	1.6
135.04422	0.8
135.08052	3.9
136.07518	0.5
137.09544	0.8
139.07596	0.7
142.07832	0.6
143.08580	0.6
144.09346	0.7
145.02843	54.3
145.10130	1.7
147.08063	2.1
147.11652	0.6
149.05989	8.5
149.09535	0.6
156.07745	0.6
157.10110	1.7
158.07266	1.2
159.08067	2.4
159.11641	2.2
161.09608	1.9
161.13141	0.5
163.03903	0.8
165.09137	2.3
169.10162	0.6
171.11673	0.5
172.08821	1.4
173.09680	1.1
173.13239	0.9
173.79295	0.4
175.07529	4.6
175.11203	1.8
177.05464	100.0
178.05788	1.3
183.11787	0.5
185.09589	0.6
186.05496	0.6
187.11234	2.2
189.09041	0.8
189.12726	0.9
193.08614	1.3
201.12715	2.0
203.10643	2.5
211.11131	1.0
217.12299	1.0
227.03395	0.6
229.12193	1.6
234.12114	0.4
236.10294	0.6
247.13303	3.2
248.12814	8.4
265.15558	13.3
266.13739	0.8
279.88416	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	264.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
56.48902	0.5
65.03956	0.4
67.05499	1.1
69.03398	0.4
69.07063	20.6
69.28242	4.2
79.05489	5.4
81.07059	0.7
83.05011	0.4
90.95432	0.3
91.05474	21.5
95.26538	0.4
97.06522	22.0
107.04985	0.5
109.06520	1.8
114.95457	0.4
119.04935	15.7
123.29220	0.4
135.04402	0.7
136.05202	1.6
137.05966	100.0
138.06255	1.1
149.05998	1.1
153.12465	0.5
154.54442	0.4
163.03886	2.4
215.10617	1.1
233.11703	56.2
234.12152	0.7
264.15936	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	264.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01877	2.2
56.96558	0.5
59.74063	0.4
62.67299	0.4
65.03925	0.6
67.05491	1.4
69.03426	0.7
69.06686	1.0
69.07061	15.0
69.28193	4.2
75.57336	0.4
79.05487	7.2
81.07051	0.6
91.05473	27.2
95.04946	0.7
97.02851	0.6
97.06523	37.7
98.97575	0.5
104.67783	0.4
107.04953	1.4
109.06508	1.6
119.04935	18.1
121.06476	0.8
128.98586	0.5
133.06415	0.5
135.04391	1.0
136.05219	1.6
137.05966	100.0
138.06300	1.1
147.04381	1.0
149.05969	1.6
163.03859	2.0
173.06046	0.5
176.76443	0.5
179.46957	0.5
189.09076	0.7
215.10646	1.3
233.11708	53.2
234.12102	0.8
235.49220	0.4
253.03641	0.5
258.05185	0.4
264.15924	28.6
265.15997	0.5
266.43057	0.4
287.05447	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	264.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91632	0.5
53.03942	1.1
55.01865	2.9
55.05506	0.8
57.03437	1.5
59.30383	0.7
67.05495	2.7
69.03420	0.7
69.07067	13.0
71.48441	1.5
79.05488	14.5
81.07008	0.6
91.05481	16.4
95.04969	1.1
97.06524	100.0
98.06863	0.8
107.04964	1.2
109.06470	1.3
117.07034	0.7
119.04928	10.7
121.06522	0.6
133.06532	0.7
134.05951	1.0
135.04424	1.8
137.05971	75.8
138.06358	1.0
143.08644	0.7
147.04391	5.0
149.06015	1.2
161.72459	0.5
162.05499	0.9
163.07568	0.9
173.05876	0.7
175.33308	0.7
177.09128	0.9
189.09099	11.3
215.10651	1.4
233.11719	83.2
234.12057	1.9
247.13263	1.7
264.15936	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
54.75142	0.7
55.01866	2.7
55.04506	0.7
64.34237	0.6
67.05503	1.8
69.03424	0.8
69.07062	9.4
70.10213	3.2
79.05489	12.9
81.07037	1.2
90.14682	0.6
91.05476	13.0
95.04960	0.8
96.49481	0.6
97.06526	100.0
98.06861	1.3
105.07077	0.8
107.04949	1.0
119.04940	8.9
131.04956	0.9
133.06525	1.2
134.99376	0.7
135.04436	2.5
137.05971	72.2
143.85713	0.6
145.06473	1.1
147.04420	6.1
149.05984	1.7
149.57195	0.7
159.08054	0.9
161.09567	1.7
163.03891	0.9
177.09106	0.9
183.28011	0.8
189.09076	12.2
215.10672	4.9
232.13239	1.0
233.11713	53.0
247.13275	6.2
264.15948	48.1
265.16354	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03932	1.8
55.01859	0.9
55.05511	14.7
57.03440	1.2
57.07071	11.3
65.03938	2.7
66.96037	0.8
67.05501	87.5
69.07070	14.3
69.35523	6.9
71.04990	1.5
71.08629	6.4
79.05489	21.7
81.07053	100.0
83.04992	1.3
83.08621	13.5
85.06536	4.8
85.10178	2.3
91.05478	16.6
93.07043	24.9
95.04977	2.5
95.08601	88.1
96.08907	0.9
97.06522	7.2
97.10165	7.5
98.20847	1.6
99.08084	6.2
105.07026	9.8
106.59991	0.7
107.08588	13.2
109.06518	1.3
109.10153	46.6
111.08045	5.2
111.11716	1.1
113.09659	3.5
119.08577	12.7
121.10141	15.1
123.08077	3.2
123.11701	18.2
126.02651	0.8
127.11214	1.2
131.08492	1.0
133.10130	14.2
135.11662	8.9
137.09636	2.1
137.13239	9.2
141.12766	1.8
147.11682	10.3
149.13251	7.2
151.11192	1.2
151.14798	7.3
155.14272	1.6
160.64020	0.8
161.13254	10.7
163.14821	7.9
163.76210	0.7
165.16377	9.1
167.14409	0.8
168.78374	0.8
175.14832	8.0
177.16331	2.4
179.17976	2.1
181.15919	1.5
189.16409	3.7
203.17989	1.5
217.19455	1.5
219.21045	0.9
236.23141	0.7
245.22647	31.2
246.22978	1.2
250.74261	0.8
263.23691	70.0
264.23972	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	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05274	1.1
55.05510	17.9
57.03432	1.2
57.07074	11.6
65.03923	1.8
67.05503	81.8
69.07067	18.2
70.13003	2.9
71.04978	1.8
71.08630	6.6
72.76571	0.9
79.05078	1.3
79.05496	20.8
81.07056	100.0
83.04963	1.4
83.08616	13.7
85.06529	5.0
85.10162	3.4
86.22428	0.9
86.57806	0.8
91.05476	18.5
93.07040	24.6
95.04947	2.1
95.08606	84.5
97.06518	8.0
97.10186	6.7
98.20786	1.0
99.08096	4.4
105.07037	13.4
107.08584	15.0
109.06519	3.4
109.10154	44.7
111.08090	4.9
111.11721	1.6
113.09647	2.7
119.08576	14.2
121.10140	15.0
123.08050	3.1
123.11705	17.3
124.03329	0.9
125.09641	1.5
125.19099	0.8
127.11176	1.8
131.08554	1.8
133.10149	12.8
135.11678	9.9
137.06105	0.8
137.09596	2.9
137.13269	6.4
139.11195	0.9
141.12740	2.1
142.33733	0.7
147.11700	10.5
149.13257	7.6
151.11206	1.1
151.14810	6.8
155.14281	1.8
157.10074	0.8
161.13264	9.1
163.14859	5.9
165.16373	8.0
167.14284	1.2
175.14815	7.4
177.16409	1.8
179.17972	3.9
181.15886	1.7
189.16377	4.2
203.17987	1.1
217.19466	1.9
219.20865	1.2
245.22646	28.5
254.34621	0.7
263.08197	1.8
263.14487	1.1
263.17798	1.7
263.20251	4.1
263.23694	56.5
264.24014	1.2
270.88168	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05501	14.7
57.07065	9.7
59.35720	3.3
64.69292	3.5
67.05503	72.9
69.07064	22.0
69.28431	32.2
69.28852	9.0
71.08616	6.5
79.05484	22.5
81.07054	90.0
83.08614	16.0
85.06535	6.9
91.05478	15.6
93.07042	28.2
95.08606	81.0
97.06522	6.3
97.10176	4.8
99.08097	7.7
105.07032	18.6
107.08581	17.3
109.10161	51.2
119.08567	14.7
121.10136	22.3
123.11692	20.3
133.10159	22.9
135.11697	16.1
137.13191	8.3
147.11646	13.9
149.13258	13.6
151.14813	7.2
161.13278	10.7
163.14832	9.4
165.16438	8.9
175.14795	11.2
189.16405	5.9
203.10562	3.7
203.17879	5.0
232.42590	4.4
245.22644	61.9
263.08228	6.4
263.23697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03927	3.2
55.05508	16.4
57.03426	1.8
57.07074	14.4
62.61234	1.3
65.03939	1.6
67.00076	1.0
67.05502	81.4
69.07064	20.7
69.94456	6.9
71.04977	2.2
71.08630	6.1
75.02850	1.2
79.05489	23.9
81.03387	3.0
81.07053	99.1
81.89508	1.0
83.04981	2.8
83.08624	15.6
85.06522	3.8
85.10178	2.7
86.87781	1.0
91.05480	22.1
93.07038	28.5
95.04935	3.7
95.08603	82.7
97.06523	13.5
97.10155	7.7
98.21462	1.8
99.08089	5.5
105.07024	15.1
107.08582	13.7
109.05789	1.1
109.06516	3.9
109.10156	38.0
111.08075	7.1
113.09653	3.0
119.08582	13.1
121.10144	15.3
123.08073	6.2
123.11705	16.3
127.11181	2.1
133.10132	15.1
135.11684	8.5
137.09592	8.8
137.13216	9.0
147.11687	10.2
149.13260	9.4
151.11116	2.3
151.14804	9.9
161.13246	7.4
163.14790	7.6
165.12764	2.0
165.16377	6.0
175.14836	5.5
177.16379	2.2
181.15811	1.6
189.16405	3.6
213.70227	1.1
245.22649	25.8
263.08249	3.4
263.14627	4.2
263.23694	100.0
264.23944	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.02573	0.6
53.03946	1.5
53.27668	0.5
55.01873	1.0
55.05508	15.8
57.03432	1.8
57.07074	10.5
65.03938	1.8
67.05502	83.7
69.07068	16.5
70.13160	2.9
71.05002	1.8
71.08626	5.8
72.34794	0.6
79.05492	22.3
81.03398	0.5
81.07053	100.0
81.74230	0.6
82.07364	0.7
83.04978	2.5
83.08611	13.4
85.06551	3.5
85.10167	3.3
91.05479	17.1
93.07040	24.0
95.04977	1.7
95.08604	78.3
96.48693	0.6
97.06521	7.3
97.10155	5.2
99.08081	5.6
105.07025	11.7
107.08586	13.8
109.06539	1.5
109.10153	35.5
111.08077	4.6
111.11703	1.8
113.09651	3.0
119.08582	12.6
121.10133	15.2
123.08056	2.6
123.08855	0.7
123.11702	14.4
125.09599	0.9
127.11198	1.9
133.10115	14.2
135.11691	8.8
137.09607	2.7
137.13251	6.1
141.12715	1.9
145.10164	0.7
147.11676	10.1
149.13261	8.3
151.11124	1.3
151.14798	5.2
155.14314	0.8
157.10181	0.7
161.13252	9.9
163.14853	6.6
165.16400	5.8
175.14825	5.7
177.16437	1.2
178.71400	0.5
179.17909	3.2
181.15863	1.1
189.16330	3.4
189.68118	0.6
203.17833	0.9
217.19543	0.9
219.20961	0.9
220.84680	0.6
235.08527	0.9
245.22636	23.1
263.08264	1.6
263.17828	2.1
263.23688	45.9
264.23956	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	263.1424
Annotation	H-Ile-Met-OH
Peak:m/z	Relative Intensity
55.05505	1.1
55.76411	0.4
56.05039	2.2
56.96561	0.8
61.01152	0.7
67.05486	0.7
69.07064	11.4
69.98026	1.7
70.06583	6.3
72.08156	3.8
81.07052	1.0
84.04492	1.3
84.08147	3.4
86.09700	100.0
87.10014	0.9
90.05534	0.5
91.05456	2.1
93.07041	0.6
95.08611	0.8
97.07674	0.5
97.34599	0.4
103.05447	0.9
104.05310	2.8
105.07044	0.5
110.07201	0.8
112.08789	0.6
116.98621	0.7
117.03719	0.7
119.01897	0.5
119.08562	0.4
120.08151	2.2
122.06059	0.4
129.06972	0.9
129.10252	2.0
130.04991	0.6
133.03200	2.1
136.07539	0.8
143.01845	0.6
146.05946	0.7
147.04398	0.4
150.05843	8.3
169.13425	0.9
175.08719	0.9
178.86748	0.5
181.86771	0.5
182.05989	0.5
190.08623	0.7
200.07101	1.0
200.48225	0.5
209.12859	0.5
217.13730	0.4
239.55431	0.5
245.09512	0.5
246.07750	0.6
263.05505	0.5
263.09662	0.5
263.14291	4.0
263.23596	0.8
278.69998	0.5
279.20139	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.49745	1.0
53.03936	2.3
54.44746	0.8
54.54837	0.8
54.60577	0.8
55.05508	19.1
56.82982	0.7
57.03415	1.4
57.07069	11.9
65.03926	1.9
67.05503	87.6
69.03390	0.9
69.07067	17.9
69.42622	7.6
71.04975	1.5
71.08630	7.1
79.05490	20.2
79.40436	0.8
81.07054	100.0
83.04951	2.3
83.08619	15.1
85.06548	4.6
85.10168	3.4
91.05479	18.8
93.07047	23.9
95.04957	3.1
95.08604	87.6
97.06515	9.2
97.10188	6.8
99.08082	6.7
101.34228	0.9
104.32735	0.8
105.07032	11.5
107.08585	14.6
109.06487	1.7
109.10155	47.4
111.08076	5.7
111.11686	1.9
113.09643	3.2
119.08575	13.0
121.10135	17.5
123.08041	3.4
123.11697	20.9
125.09584	1.4
127.11121	1.9
133.10133	13.4
135.11691	11.2
137.09599	2.3
137.13235	10.8
139.11185	0.8
141.12730	2.1
147.11679	10.2
149.13254	7.3
151.11214	2.3
151.14804	9.9
155.14284	1.4
161.13242	9.5
163.14822	7.6
165.16383	8.4
175.14813	7.6
177.16461	1.7
177.78412	1.0
179.17879	3.2
181.15858	1.3
189.16328	3.7
203.17905	2.2
205.19621	0.9
220.61765	1.0
245.22647	31.2
247.11429	1.2
263.08026	1.0
263.14694	11.7
263.23697	78.7
264.24091	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	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72228	0.5
66.31859	0.5
69.03394	0.9
70.33548	2.0
77.00887	0.8
79.42816	0.6
81.07040	0.8
82.99819	1.4
84.08134	0.7
85.02901	0.6
90.80873	0.5
90.99112	0.5
97.02885	1.1
101.00877	12.8
105.00391	0.7
109.10153	0.7
113.00854	2.7
114.19876	0.5
119.01918	42.5
120.02031	1.0
121.01647	1.9
127.02440	0.7
131.01901	17.2
133.03442	0.8
137.02972	9.2
142.03500	1.3
143.01894	26.3
145.03415	1.8
149.02959	4.0
155.01869	7.0
157.03471	3.8
161.02954	100.0
162.03152	1.8
167.01845	1.4
173.01442	1.2
173.02956	23.2
175.04544	1.7
177.00909	1.9
178.00977	0.8
179.00668	7.8
179.04018	4.2
184.04535	5.8
185.02963	7.7
191.04013	17.4
196.04509	1.1
197.02989	2.9
203.00851	0.9
203.03998	18.5
214.05531	1.4
215.04002	3.3
219.01968	2.1
219.03891	1.4
220.01970	0.8
221.01772	12.1
221.04988	4.2
222.01920	0.8
227.00720	1.7
231.01958	1.0
233.05118	2.6
239.06107	1.7
239.98470	0.8
244.06738	0.6
245.01749	4.5
245.05013	0.9
258.03049	1.0
263.02896	64.2
263.06116	29.7
264.02975	1.6
264.06128	1.0
268.03564	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	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72228	0.5
66.31859	0.5
69.03394	0.9
70.33548	2.0
77.00887	0.8
79.42816	0.6
81.07040	0.8
82.99819	1.4
84.08134	0.7
85.02901	0.6
90.80873	0.5
90.99112	0.5
97.02885	1.1
101.00877	12.8
105.00391	0.7
109.10153	0.7
113.00854	2.7
114.19876	0.5
119.01918	42.5
120.02031	1.0
121.01647	1.9
127.02440	0.7
131.01901	17.2
133.03442	0.8
137.02972	9.2
142.03500	1.3
143.01894	26.3
145.03415	1.8
149.02959	4.0
155.01869	7.0
157.03471	3.8
161.02954	100.0
162.03152	1.8
167.01845	1.4
173.01442	1.2
173.02956	23.2
175.04544	1.7
177.00909	1.9
178.00977	0.8
179.00668	7.8
179.04018	4.2
184.04535	5.8
185.02963	7.7
191.04013	17.4
196.04509	1.1
197.02989	2.9
203.00851	0.9
203.03998	18.5
214.05531	1.4
215.04002	3.3
219.01968	2.1
219.03891	1.4
220.01970	0.8
221.01772	12.1
221.04988	4.2
222.01920	0.8
227.00720	1.7
231.01958	1.0
233.05118	2.6
239.06107	1.7
239.98470	0.8
244.06738	0.6
245.01749	4.5
245.05013	0.9
258.03049	1.0
263.02896	64.2
263.06116	29.7
264.02975	1.6
264.06128	1.0
268.03564	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24530	7.0
71.50880	9.8
87.03012	6.4
94.93010	8.7
101.00887	14.5
119.01962	35.4
131.01942	17.3
137.02838	7.3
143.01877	29.9
155.01952	10.3
161.02959	100.0
173.02960	18.8
183.37852	8.7
191.03984	22.6
203.04012	16.3
248.55777	6.7
263.01688	69.2
263.05023	7.0
263.07275	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48955	22.2
67.77997	20.0
71.30479	32.8
128.23145	21.0
169.60199	19.0
180.97333	21.3
189.10231	29.4
260.27148	23.9
263.01642	100.0
263.10257	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	262.9779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29735	6.6
71.30529	6.6
71.49712	9.3
71.50116	8.4
84.08138	15.2
119.01900	31.7
131.01900	9.4
143.01874	23.5
157.03499	6.5
161.02957	70.0
173.02969	13.1
180.89438	100.0
191.03998	19.7
203.04030	14.1
221.00987	20.2
263.02686	47.7
263.06155	25.7
275.97717	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	262.1437
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
53.03935	1.7
55.01863	2.3
55.05509	56.0
56.05018	1.5
57.05819	0.8
57.98794	0.7
58.06587	0.9
58.99582	39.7
61.01153	1.6
67.05510	1.8
69.07059	3.2
70.06583	6.0
70.83385	1.8
71.04985	0.8
72.08151	2.9
73.01128	3.7
76.03997	5.0
78.98891	0.7
79.05494	4.5
81.07056	1.1
83.04981	1.4
83.08616	40.7
84.04496	2.2
84.08147	7.0
86.09698	4.3
86.99048	27.9
87.10083	0.6
88.02205	8.7
88.03943	0.7
90.89401	0.7
91.05501	4.0
93.07043	1.3
94.06565	0.9
95.04997	1.4
97.06517	12.5
101.09643	0.6
103.05452	4.1
105.07071	0.8
107.04954	3.1
108.08147	2.3
116.01671	100.0
116.07087	10.1
117.05776	1.9
118.06529	1.7
119.04940	2.4
120.08097	26.2
121.06497	1.6
121.08421	1.9
123.04417	2.2
129.10249	3.8
130.04991	0.6
130.06516	1.4
130.08745	0.9
131.04915	0.7
131.08560	1.9
131.62520	0.6
132.08084	1.1
134.06012	0.6
135.04431	1.9
136.07567	9.3
137.05948	2.2
144.01137	40.3
144.08095	0.9
146.05998	2.9
147.04427	6.4
147.06744	1.5
148.07570	5.6
149.05989	1.1
151.06299	1.0
159.08104	1.8
160.07509	0.6
161.05898	1.2
161.08238	0.7
162.02197	79.6
162.09061	5.6
164.07034	5.8
165.07797	2.2
166.08647	4.2
175.07536	1.7
176.07068	9.8
177.09070	1.8
184.11334	0.7
190.08553	1.3
190.12256	1.8
195.08142	0.8
200.07050	0.9
201.07890	4.2
202.08673	1.4
204.10236	1.6
213.09148	2.0
218.11754	15.1
226.11981	1.1
230.11816	4.5
231.10149	1.7
244.09827	1.0
244.13147	1.1
254.19307	0.7
261.01099	0.7
262.14365	98.2
263.14291	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	262.1438
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
51.13884	0.3
51.93834	0.3
53.53437	0.3
55.01878	0.4
55.05509	0.3
70.06584	0.7
70.83186	0.8
72.08147	0.5
84.08140	1.0
84.39805	0.3
86.09706	0.5
94.06567	1.3
94.45398	0.3
95.38535	0.3
97.06522	1.2
103.05475	0.3
108.08109	0.9
109.08882	0.3
120.08102	25.9
122.06020	2.6
127.29361	0.3
129.10231	0.4
135.08121	0.3
136.07570	18.3
137.08356	7.8
147.04427	0.5
148.07596	1.1
158.30452	0.3
162.09151	0.7
164.07063	27.6
165.07851	100.0
166.08302	0.9
176.07063	1.0
177.09090	0.4
218.11725	1.3
231.10213	0.4
234.14949	1.0
244.09579	0.4
251.93066	0.4
262.14371	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	262.1438
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
53.03935	0.4
54.82440	0.3
55.01871	1.9
55.05497	1.2
56.05017	1.0
56.15187	0.3
57.03408	1.2
57.05809	0.6
58.06583	0.7
59.82259	0.3
60.04501	0.7
61.01143	0.3
65.03938	0.3
67.05501	1.0
69.03407	0.5
69.07056	3.3
70.06585	2.1
71.04973	0.4
71.59448	0.3
71.59831	0.4
72.08128	1.3
74.06087	0.3
74.09695	0.3
79.05485	4.1
80.57989	0.3
81.07030	0.9
82.06586	0.4
83.04961	1.4
84.04510	0.8
84.08137	2.8
85.06510	0.3
85.40332	0.3
86.09693	4.2
87.10056	0.6
88.03975	0.4
89.56875	0.4
91.05478	3.0
93.05785	0.3
93.07043	0.8
94.06572	0.6
95.04969	2.0
97.06525	13.4
103.05459	1.0
105.07015	0.7
106.06539	0.6
107.04948	3.0
108.08083	1.3
110.07154	0.8
117.05754	1.2
117.06973	0.5
118.06528	2.7
119.04903	1.0
119.08557	0.5
120.08098	10.4
121.05225	0.7
121.06496	1.7
121.08427	1.6
122.06045	0.6
123.04420	2.5
123.08065	0.5
124.05209	0.5
124.08367	0.4
129.06958	0.5
129.10170	1.6
130.06532	0.7
131.04932	1.1
131.08511	1.2
132.04492	0.5
132.08063	0.8
133.05214	1.1
133.06441	0.6
134.05962	1.7
134.09607	0.5
135.04384	2.0
135.06900	0.3
135.07988	0.4
136.07565	9.3
137.05931	2.3
137.08368	0.6
141.06993	0.5
143.08502	0.4
144.08070	1.2
145.06494	0.8
146.06006	5.2
147.04405	1.1
147.06836	2.2
148.07558	6.2
149.08363	0.6
150.05501	0.4
151.06258	1.0
159.08047	1.4
160.07513	0.9
161.05995	0.7
161.08411	0.5
162.05437	1.9
162.09146	4.5
164.07062	6.5
165.07857	8.5
166.08658	4.1
172.11150	0.4
173.05862	0.3
174.09084	0.5
175.07489	0.8
176.07045	10.2
177.09071	2.1
177.15178	0.3
185.09546	0.4
187.07462	0.8
188.07056	1.2
188.10678	0.5
189.07745	0.7
189.09254	0.4
190.08549	0.5
190.12265	2.4
192.10121	0.4
195.08064	0.4
198.09294	0.4
200.10611	0.4
201.07643	0.4
202.08719	0.4
204.10170	3.2
214.08493	0.4
216.10258	0.4
218.11742	13.3
230.11774	5.5
232.10570	0.3
233.19006	0.3
244.09673	1.4
244.13292	0.6
245.11554	0.3
247.12041	0.7
262.14365	100.0
263.14719	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	2.4
55.05275	1.1
55.05512	12.5
57.03434	1.4
57.07061	3.6
65.03930	2.2
67.05504	38.2
68.33287	0.9
69.07069	11.6
69.40093	7.4
71.04984	1.9
71.08626	1.0
79.05491	51.7
81.07056	44.1
83.04948	1.1
83.08621	7.8
83.35653	0.9
85.06530	2.8
85.10188	1.0
85.45570	0.9
91.05480	26.8
93.07043	67.7
94.06747	1.1
95.04952	4.2
95.07990	1.6
95.08601	33.3
97.06498	3.7
97.10144	2.8
99.08092	4.5
105.07027	18.8
107.08591	47.5
109.06483	2.7
109.10149	15.7
111.08061	3.1
113.09650	1.7
117.06993	5.6
119.08578	15.1
121.10138	43.3
123.08066	2.7
123.11694	5.5
125.09561	1.0
131.08559	12.4
133.10123	15.2
135.11687	33.9
137.09595	1.9
137.13257	1.0
145.09073	1.4
145.10127	14.3
147.11682	10.6
149.13248	25.5
159.11697	9.9
161.13237	11.1
163.14825	18.8
173.13249	12.4
175.14839	4.5
177.16360	6.3
183.23830	1.0
187.14819	7.6
201.16362	3.3
215.18048	1.5
219.17473	1.2
233.22780	1.2
243.21086	34.2
261.22134	100.0
262.22452	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	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.0
53.03927	3.1
53.98142	0.9
55.01854	1.0
55.05278	1.1
55.05510	13.5
57.03419	2.0
57.07075	4.8
58.27749	0.8
59.16520	0.9
65.03923	2.0
67.05502	38.3
69.07062	12.8
69.55684	4.4
69.56094	1.2
71.04972	2.0
71.08623	1.1
79.05489	57.1
81.03399	0.7
81.07050	50.1
83.04954	1.6
83.08620	6.0
85.06538	3.5
87.26352	0.8
91.04906	1.7
91.05472	27.2
93.07039	80.8
95.04953	5.9
95.08607	33.6
97.06528	3.6
97.10151	2.5
99.08083	3.1
105.04482	0.8
105.07027	18.4
107.08588	48.7
109.06493	2.7
109.10155	14.2
111.08080	3.9
117.07014	6.5
119.08568	13.4
121.10136	40.3
123.08039	1.8
123.11689	4.9
125.09598	1.7
131.08557	15.1
133.10120	14.3
135.11684	34.3
137.09616	2.2
137.13217	1.8
145.10115	14.4
147.11676	11.2
149.09636	1.8
149.13251	26.7
151.11209	1.1
151.14775	1.1
159.11681	11.2
161.13234	11.7
163.14806	18.4
173.13257	11.3
175.14830	4.8
177.16412	5.7
179.14258	1.6
187.14796	7.0
200.25357	0.7
201.16359	2.9
215.17931	1.5
219.17487	1.0
233.22723	1.2
243.21075	32.5
261.22122	100.0
262.22507	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02349	0.5
52.01080	0.5
53.03933	2.2
55.01864	0.6
55.05506	14.1
56.68621	0.5
57.03421	1.7
57.07078	4.4
65.03919	1.4
67.05500	45.1
69.07061	13.0
69.60963	4.1
71.04987	2.9
71.08623	1.6
77.03900	1.0
79.05486	57.0
81.07048	49.5
82.07372	0.7
83.04983	1.0
83.08609	7.9
85.06537	4.6
91.05474	31.4
93.07036	75.2
94.07367	0.7
95.04966	4.8
95.08598	38.9
97.06534	3.7
97.10181	3.1
99.08085	5.1
102.80328	0.5
103.05424	0.7
105.04482	0.9
105.06300	1.1
105.07023	21.9
107.04998	0.7
107.08585	49.1
109.06517	2.5
109.10144	15.3
111.08088	3.9
113.09616	2.2
115.05367	0.4
117.07004	8.5
119.06059	1.1
119.08577	18.1
121.10133	45.9
123.08081	2.7
123.11694	5.1
125.09604	1.5
129.07011	0.9
130.07738	0.6
131.08562	15.8
133.10115	13.6
135.08034	0.8
135.11681	36.2
136.12080	0.5
137.05933	0.6
137.09605	1.9
137.13237	1.6
139.11111	0.7
145.10101	16.5
147.11674	14.5
149.09607	0.8
149.13248	29.9
151.11208	1.4
151.14745	0.7
153.12698	0.8
159.11687	11.8
161.13246	13.5
163.11168	0.9
163.14810	22.5
165.12744	1.5
169.61458	0.6
171.11723	0.6
173.13257	11.8
175.14825	4.7
177.12682	0.7
177.16383	6.4
179.14293	2.1
187.14832	7.8
189.16324	1.2
189.76872	0.6
201.16370	4.0
203.17969	1.3
205.15866	0.9
215.17894	1.7
217.19531	1.0
218.93469	0.6
219.17249	0.9
233.22597	0.9
243.21068	35.2
244.21443	0.7
261.22116	100.0
262.10831	0.7
262.14349	1.2
262.22485	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	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42025	0.7
53.03926	2.3
55.01847	0.9
55.05507	14.7
57.03421	1.9
57.07074	5.3
57.79483	0.7
58.57311	0.6
59.40258	0.8
65.03912	2.2
65.82090	0.6
67.05501	43.5
68.25683	0.6
68.65169	0.6
69.07064	13.0
69.88590	3.5
71.04967	2.4
71.08617	2.2
77.03893	1.1
77.18840	0.7
78.77629	0.6
79.05490	62.0
81.03426	0.8
81.07051	55.6
83.04959	1.2
83.08622	8.5
85.06528	4.3
85.10166	0.8
91.05478	30.5
93.07040	81.5
93.51392	0.8
95.04961	5.5
95.08602	40.3
97.06519	4.5
97.10153	2.6
99.08085	4.4
105.04504	1.2
105.07024	19.7
107.08588	55.4
109.06484	2.3
109.10155	17.2
111.08080	4.9
113.09602	1.0
117.07008	7.4
119.08569	15.9
121.10136	45.8
123.08045	2.3
123.11694	5.3
125.09601	1.9
127.11189	0.8
129.06969	0.7
131.08560	16.7
133.10114	16.5
135.08116	0.9
135.11681	36.7
137.09645	1.6
137.13245	2.0
139.11140	0.6
143.08525	0.9
144.09297	0.8
145.10118	17.3
147.11679	11.6
149.09657	1.6
149.13251	27.8
151.11243	1.2
151.14792	1.0
159.11688	10.7
161.13251	12.6
163.14813	18.0
165.12717	1.2
173.13251	12.6
175.14821	4.8
177.16409	5.1
179.14331	1.2
187.14783	7.2
189.16362	0.8
190.61945	0.6
201.16360	3.9
201.82018	0.7
205.15886	1.2
215.17915	2.0
217.19592	0.8
219.17372	0.7
233.22641	2.0
243.21072	35.4
261.09467	1.1
261.22125	100.0
262.14377	2.0
262.22580	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	261.1446
Annotation	Glu Leu
Peak:m/z	Relative Intensity
50.87769	0.7
55.05508	3.8
56.05035	6.5
69.07044	1.0
70.06578	2.0
70.35439	2.8
70.35791	1.5
72.07757	1.5
72.08150	24.3
74.00601	0.9
75.41837	0.8
84.04500	100.0
84.08143	4.7
86.09702	86.3
87.10026	2.3
94.30999	0.8
102.05544	15.2
107.08584	1.0
107.33754	0.7
113.07095	1.2
115.49544	0.8
116.07117	1.1
118.08654	1.6
121.90098	0.8
123.04394	0.9
129.06580	2.7
129.10243	1.6
132.10197	48.4
141.06590	3.2
144.06569	5.4
162.07602	8.9
197.12845	49.8
205.13396	1.4
225.12238	4.5
243.13388	40.6
261.14673	1.5
261.19879	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02376	0.4
53.03928	1.6
55.01856	0.9
55.05507	14.0
57.03434	1.6
57.07071	4.1
65.03926	1.6
67.05500	44.8
68.05819	0.2
69.07063	13.3
71.04987	2.4
71.08622	1.3
71.58241	0.3
77.03941	0.9
78.04677	0.2
79.05486	61.6
80.05831	0.3
80.06261	0.2
80.66116	0.2
81.03448	0.4
81.07050	52.2
82.07386	0.4
83.04977	0.9
83.08611	7.9
85.06534	4.1
85.10181	0.4
91.05474	32.3
92.05811	0.2
93.07036	81.6
94.07376	0.7
95.04966	6.1
95.05567	0.4
95.08598	39.0
96.08924	0.3
97.06509	3.4
97.10154	2.9
99.08079	3.9
103.05447	0.5
105.04540	1.4
105.07023	21.0
106.07893	0.2
107.04955	0.5
107.08585	49.7
109.06517	2.3
109.10147	16.0
110.10546	0.2
111.08073	3.4
111.11734	0.7
113.09658	1.3
115.05417	0.2
117.07005	7.0
118.06539	0.2
119.06094	0.6
119.08572	17.2
120.08951	0.2
121.10133	45.6
122.10448	0.4
123.08064	1.7
123.11693	4.9
125.09602	1.4
127.11206	0.3
128.06226	0.2
129.07014	0.7
130.07787	0.4
131.08554	15.5
133.10121	13.9
135.08060	0.8
135.11676	37.2
136.11987	0.4
137.09608	1.8
137.13240	1.5
139.11180	0.9
143.08557	0.5
145.10114	16.2
147.11674	12.1
149.09608	1.1
149.13246	29.8
150.13591	0.3
151.11182	1.6
151.14793	1.0
153.12749	0.7
159.11682	11.4
161.13245	12.7
163.11171	0.6
163.14809	21.7
164.37462	0.2
165.12758	1.9
167.14326	0.3
171.11671	0.7
173.13251	10.6
175.14804	4.5
177.12801	0.7
177.16367	6.3
177.17839	0.4
179.14311	1.8
187.14813	7.4
189.16318	1.2
191.14339	0.7
193.15912	0.6
201.16371	3.2
203.18001	0.7
205.15878	0.7
215.17909	1.7
217.19554	0.9
219.17447	1.0
233.18893	0.3
233.22681	1.3
243.21068	33.2
244.21434	0.8
261.22110	100.0
262.14493	0.2
262.22476	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	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.3
51.02366	0.4
53.03942	2.3
55.01873	1.0
55.05509	14.8
57.03443	1.6
57.07070	4.4
59.05003	0.3
59.81912	0.3
65.03937	2.2
67.05502	42.6
69.07063	13.2
71.04996	2.5
71.08627	1.1
76.71897	0.3
77.03927	1.1
79.05489	61.8
80.05807	0.4
81.03416	1.3
81.07051	50.7
83.04970	1.2
83.08616	7.7
85.06544	4.1
85.10193	0.5
91.05476	31.0
93.07038	82.7
94.07375	0.5
95.04965	6.0
95.08600	37.7
97.06523	4.0
97.10165	2.5
98.20811	0.9
98.98463	1.1
99.08086	3.7
103.05466	0.5
105.04526	1.3
105.07027	20.8
107.04942	0.6
107.08588	50.1
107.21213	0.3
109.02874	0.6
109.06506	2.2
109.10149	15.6
111.08078	2.9
111.11732	0.6
113.09637	1.3
115.05456	0.5
117.07014	7.3
119.06083	0.7
119.08576	14.6
121.06519	0.5
121.10136	44.6
123.08043	2.3
123.11705	5.5
125.09593	1.1
127.11147	0.5
129.06996	1.0
131.08557	16.3
133.09119	0.7
133.10124	13.9
135.08040	0.7
135.11685	36.7
137.09618	2.0
137.13232	1.4
139.11150	0.7
145.10118	14.6
147.11684	11.7
149.09615	1.0
149.13251	27.0
151.11168	1.2
151.14838	0.9
153.12675	0.9
159.11688	10.9
161.13255	10.8
163.11150	1.0
163.14816	20.3
165.12723	1.4
172.12610	0.3
173.04187	0.3
173.13264	10.8
175.14803	4.6
177.12732	1.0
177.16382	6.1
179.14325	1.7
185.13182	0.6
187.14804	6.7
189.16444	0.8
189.35103	0.4
191.14247	0.7
201.10001	0.3
201.16364	2.5
203.17963	0.6
205.15880	0.9
215.17964	1.9
217.19463	0.7
219.17429	0.8
219.21097	0.4
233.22586	1.2
233.63858	0.3
243.21075	30.2
244.21452	0.7
248.97823	0.3
261.22122	100.0
262.22467	1.9
272.63727	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	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05504	2.1
56.05035	9.5
56.56683	0.8
60.04531	1.0
67.05490	0.8
69.07064	4.6
70.06582	3.2
70.32656	1.0
70.33011	3.1
71.86261	1.0
72.07767	1.0
72.08156	19.5
74.06075	1.0
83.06101	44.7
84.04501	76.1
84.08141	46.8
85.02869	1.0
86.09704	100.0
90.05545	1.2
101.04232	1.1
101.07150	6.9
101.10747	1.3
110.07169	1.8
112.07583	1.0
113.07063	1.0
120.08089	3.0
129.06598	3.1
129.10231	14.3
130.06569	1.2
130.08633	12.2
132.10201	23.9
141.06578	2.8
143.11786	3.1
144.06540	13.1
144.10191	2.2
147.07713	1.5
147.11278	12.7
157.13319	7.3
161.09218	12.6
161.12845	1.8
171.11301	1.1
172.04279	3.6
177.93547	0.8
185.12869	2.7
189.12259	1.7
196.14470	6.2
197.12846	23.7
198.11211	0.9
205.13521	1.0
216.05334	0.9
225.12198	0.9
228.72404	0.9
242.14981	49.6
243.13380	21.7
243.17215	2.1
260.09851	1.0
260.16202	1.3
260.19693	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	261.1442
Annotation	Leu Glu
Peak:m/z	Relative Intensity
54.31954	0.4
56.05021	1.1
58.06601	0.5
58.68868	0.4
69.07050	1.3
70.06581	0.4
70.69499	0.4
70.69827	0.9
72.08152	1.6
84.04500	7.6
84.08140	3.4
85.08472	1.1
86.06025	0.5
86.09701	100.0
87.10039	0.7
90.73516	0.4
97.22252	0.3
102.05544	2.8
126.76070	0.5
129.10277	1.0
130.05002	5.4
130.08662	0.5
146.61012	0.4
146.91878	0.4
148.06039	20.4
154.08775	0.5
159.11412	0.4
162.13309	0.3
215.13989	0.6
216.80714	0.3
232.07376	0.4
239.34618	0.4
243.09927	0.5
243.13409	0.9
261.05850	1.3
261.11349	0.7
261.14282	8.5
261.19821	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	260.1603
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05495	2.6
56.05026	3.5
65.72033	0.6
67.05519	0.8
69.07061	4.9
70.06599	1.8
71.50535	0.7
72.08150	34.1
74.06062	0.7
80.05044	0.8
83.06094	1.6
84.04503	39.2
84.08140	64.6
86.09702	100.0
90.05550	0.8
96.12546	0.6
97.06515	0.8
100.07607	1.9
101.07121	6.0
101.10795	1.7
102.05538	1.8
107.04996	0.9
112.07588	1.0
129.10236	15.5
130.04994	65.1
130.08626	11.4
131.11792	3.4
143.11790	11.2
144.10156	3.3
147.07634	80.5
147.11279	12.8
148.06085	1.6
150.96587	0.7
155.74315	0.8
161.09258	2.8
161.12814	3.3
169.38753	0.6
171.11325	6.5
178.08696	0.8
197.16537	1.1
226.10735	1.2
242.18602	1.2
243.13368	5.1
243.17088	3.5
260.10889	1.5
260.16116	15.0
260.19745	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	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.8
55.05489	9.3
57.07069	3.9
61.62304	2.1
67.05482	7.4
69.07060	35.8
69.56406	19.1
71.04987	18.4
79.05467	6.7
81.07047	20.0
83.04964	6.5
83.08602	6.5
84.70627	2.1
85.06541	16.6
91.05471	12.5
91.99808	3.1
93.07030	10.2
95.04958	4.4
95.08601	16.2
97.06492	4.5
98.20804	4.8
99.08067	2.7
105.03387	13.4
105.06400	2.6
105.07038	24.3
107.08588	20.9
109.06495	5.1
109.10161	14.0
111.08041	8.7
117.06983	7.4
119.08571	51.7
121.10151	12.4
123.08068	3.6
123.11682	19.0
129.01859	3.2
131.08572	14.0
133.10120	26.7
135.08051	9.4
135.11688	7.3
137.09579	4.7
142.07751	6.5
143.08546	6.2
144.09396	2.7
145.10106	30.2
147.11685	16.3
149.09554	2.4
157.10091	10.7
159.11678	30.0
160.12471	5.6
161.13246	27.3
171.11662	10.3
173.13232	7.5
175.11189	7.1
175.14821	68.2
175.16310	4.9
176.15540	3.8
177.12775	5.2
177.16393	4.2
185.13217	18.1
187.14772	4.0
189.12762	3.0
199.14801	4.9
201.16383	25.0
203.14297	10.3
215.17928	6.3
217.15889	2.5
217.19534	3.6
241.19502	20.2
259.11087	4.7
259.20569	100.0
259.28036	2.7
260.09122	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	260.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.6
57.05801	3.2
58.06598	4.1
58.85431	2.8
69.07065	7.9
69.82045	3.1
70.06585	9.9
70.79823	5.5
70.80164	4.0
72.08148	43.2
84.04504	25.3
84.08141	100.0
86.06049	3.1
86.09705	95.3
86.50743	2.8
93.50039	2.6
94.93001	6.4
100.07610	28.5
101.07119	3.4
101.10838	4.3
104.10742	4.4
104.11759	2.6
114.03078	3.2
117.10259	3.8
128.88928	2.6
129.10223	34.3
130.05011	40.4
130.08630	35.4
143.11761	6.6
144.06529	3.4
144.10201	5.0
145.03458	2.7
147.07645	43.2
147.11281	30.4
161.09207	7.4
161.12842	3.7
171.11279	3.7
212.33748	2.8
229.03197	8.1
260.05350	9.3
260.07645	4.7
260.13635	3.2
260.16782	6.4
260.19672	47.2
261.05643	15.4
261.09430	3.6
278.37860	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	260.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73109	1.5
55.05510	3.7
56.05034	8.9
58.06560	1.4
61.01888	1.6
70.06571	5.7
70.65677	2.8
70.66058	3.4
72.08143	13.7
73.07658	4.4
74.02433	4.7
82.02940	2.6
83.06071	1.5
84.04491	6.9
84.08141	54.9
86.09702	52.3
86.97779	1.5
101.07121	4.0
102.05567	3.0
105.06461	1.5
109.02912	1.7
109.32826	1.6
110.07126	1.7
110.34250	1.3
117.07065	1.9
118.06522	5.8
120.08084	3.6
123.04462	1.6
126.11697	1.6
126.26342	1.5
129.06590	6.0
129.10249	19.3
130.06491	7.9
130.08626	9.8
132.08102	2.9
132.10193	22.1
133.05209	3.7
133.07652	1.6
137.05946	1.6
138.05508	1.4
138.40367	1.4
142.06497	5.3
143.11806	7.4
144.08060	4.3
144.10213	7.2
145.06508	2.3
145.07588	5.7
146.06009	36.9
147.06711	8.5
147.11285	11.9
150.05432	1.9
154.06480	2.4
156.06805	4.3
157.05193	5.2
157.07617	2.2
157.09778	2.0
158.05960	2.4
158.08269	2.4
159.06798	5.8
159.09169	14.8
160.07594	7.7
161.04683	3.1
161.12811	6.5
169.07614	42.2
170.05995	14.3
171.05525	27.8
172.07602	8.9
173.07095	9.8
174.05528	7.4
174.07878	24.3
182.05977	2.2
185.04712	4.5
185.07112	3.2
186.10297	2.6
187.08675	33.1
188.07043	2.3
189.12358	16.7
196.08698	8.8
197.07112	68.8
198.05589	2.5
198.07622	1.7
199.08636	4.6
201.06569	22.6
204.13774	1.9
214.09753	100.0
215.08136	4.9
215.10065	1.8
216.06560	2.4
220.08444	3.3
225.06558	6.5
232.10985	2.1
242.09279	3.6
243.07658	43.9
243.17035	3.0
260.10345	41.1
260.13046	3.5
260.16876	3.1
260.19510	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	258.1124
Annotation	8-O-Tigloyldiderroside
Peak:m/z	Relative Intensity
61.57759	1.0
67.05498	2.0
69.07041	0.9
70.06577	1.1
71.51582	1.3
72.26717	1.0
77.13206	0.9
84.08144	1.0
86.09692	1.6
86.66758	1.0
132.08846	1.1
137.05974	1.2
144.08069	2.2
147.80908	1.0
153.06961	3.1
154.58409	0.9
155.07336	1.2
155.08534	2.9
168.08028	1.0
170.09637	1.9
172.07565	9.2
172.12015	0.9
176.01761	0.9
181.06479	1.6
182.05917	1.4
183.06740	1.1
183.08147	1.8
186.05519	1.3
186.09081	1.6
187.09953	1.8
196.07547	1.4
197.08366	2.2
198.07109	0.8
198.09155	5.4
200.07053	7.4
211.06172	1.2
214.08580	3.6
215.09413	3.5
224.06978	1.3
225.07693	1.5
226.08626	9.3
228.06512	15.2
230.11719	2.8
230.24698	1.1
242.08109	3.5
243.08920	16.8
257.77347	0.9
258.11243	100.0
258.24371	1.5
259.11652	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	259.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
60.24923	0.2
67.05505	0.3
68.87617	0.2
69.07056	1.0
70.06583	0.8
70.72952	0.5
72.08147	0.3
73.02489	0.2
73.02920	0.3
74.06068	0.3
79.05495	0.3
80.10598	0.2
81.03401	0.5
81.07055	0.5
84.04502	0.6
84.08143	1.0
86.09704	100.0
87.10018	0.6
91.05513	0.5
93.07017	0.5
94.06641	0.2
95.04949	0.4
95.08573	0.5
95.52702	0.2
105.07014	0.5
107.08572	0.4
114.16621	0.2
119.08563	0.4
129.10233	0.6
135.11725	0.3
146.11754	30.0
157.10071	0.3
173.13229	0.3
193.72137	0.3
199.18076	2.2
208.17459	0.3
217.32016	0.3
259.10098	0.5
259.17233	0.4
259.20221	4.4
259.24521	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05499	8.0
67.05484	7.9
69.06732	2.4
69.07063	27.4
69.22208	20.0
71.04989	17.9
71.99161	1.6
79.05473	6.7
81.07055	17.7
83.04988	4.4
83.08618	6.3
85.06544	19.6
91.05472	12.5
93.07036	14.4
95.04951	3.2
95.08601	18.0
97.06525	3.2
105.03358	2.7
105.07014	22.5
107.08595	16.0
109.06506	7.5
109.10146	11.9
111.08060	8.5
117.06968	5.4
119.08574	45.4
121.10143	11.8
123.11717	19.1
129.07021	3.6
131.08569	15.2
133.10118	35.4
135.08075	11.9
135.11688	2.4
137.09602	3.2
138.98125	1.6
142.07767	2.8
143.08530	6.6
144.09392	2.2
145.10115	28.7
147.11674	18.8
156.09366	2.9
157.10123	12.1
159.11679	29.5
160.12402	2.2
161.09610	2.6
161.13243	31.1
163.11162	2.4
170.10873	3.0
171.11700	17.0
173.13280	9.2
175.11185	3.4
175.14818	84.9
176.15503	5.6
177.12721	2.6
177.16429	4.8
183.11545	2.0
185.13252	13.6
189.12698	2.8
189.16289	4.1
190.13469	2.7
199.14784	4.2
201.16379	23.3
203.14317	9.5
208.73869	2.0
215.17946	5.4
241.19514	17.1
259.20560	100.0
260.20923	3.3
264.28296	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03948	1.4
55.05307	1.0
55.05510	9.9
55.51863	1.2
57.03429	3.3
57.07061	3.1
61.20182	1.0
67.05503	29.2
68.81792	1.4
69.07060	5.5
70.05490	5.4
71.04980	2.6
79.05493	10.1
81.07057	19.1
83.04992	1.2
83.08605	3.7
85.06535	1.3
91.05476	19.1
93.07040	8.4
95.04974	2.2
95.08611	9.8
97.06503	1.8
105.07031	20.8
107.08572	8.5
109.06522	1.7
109.10176	7.6
115.05451	4.1
116.06242	3.0
117.07007	32.9
118.34919	1.1
119.08566	11.4
121.10138	30.1
123.08036	2.4
128.06204	8.3
129.06999	27.1
130.07770	4.0
131.08557	62.8
133.06429	1.7
133.10158	9.7
135.08043	4.3
135.11728	1.1
137.09576	3.6
141.06995	12.9
142.07770	6.0
143.08560	32.6
145.10115	100.0
147.08011	1.3
147.11696	3.5
149.09648	2.0
149.13278	1.3
154.07750	2.6
155.08522	12.7
156.09396	2.3
157.10130	25.4
159.08066	2.6
159.11693	36.2
161.09599	3.4
161.13205	2.1
163.11185	1.8
168.09267	2.9
169.10115	16.5
171.11676	32.9
173.09621	2.0
173.13249	18.0
175.11142	3.1
177.12704	2.1
183.11684	29.7
185.13258	5.5
187.11162	3.2
187.14825	2.3
195.11671	2.3
197.13246	24.0
199.14780	13.2
201.12732	2.0
201.16408	1.4
211.14841	5.7
213.16313	5.6
215.14365	1.9
215.17847	1.9
218.65463	1.5
219.10655	1.2
229.19510	2.6
239.17947	36.3
257.08182	2.5
257.18997	86.6
257.26602	5.8
258.27914	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	256.2997
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
53.38128	0.2
57.07074	5.8
58.06601	1.6
60.08161	22.5
69.31865	2.6
71.08624	2.4
76.67068	0.3
80.35813	0.3
85.10169	1.0
94.07996	0.2
128.72702	0.3
145.34711	0.3
165.64618	0.2
256.29974	100.0
257.30225	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	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.99320	0.8
53.03930	0.8
55.01867	1.4
55.05506	12.0
57.03410	0.9
57.07068	2.1
57.94523	0.8
60.08155	4.3
65.03934	1.6
67.05505	27.0
67.43298	0.7
69.07057	4.0
70.82822	1.2
70.83135	1.4
71.29755	0.7
79.05493	12.7
81.06602	1.2
81.07058	17.4
83.08596	4.2
86.09742	0.8
91.05474	19.3
93.07050	10.7
95.04991	1.2
95.08606	20.6
105.07034	21.7
107.04967	1.1
107.08579	7.6
109.06505	1.3
109.10140	7.5
115.05434	2.7
116.06232	2.1
117.07011	21.4
119.08589	13.4
121.10142	5.4
123.11710	1.1
128.06224	3.1
129.06981	9.6
130.07750	3.4
131.08563	35.7
133.06477	2.3
133.10120	13.1
135.08043	1.7
135.11707	2.6
136.93129	2.0
141.06981	3.1
142.07768	2.0
143.08569	11.5
144.09335	1.9
145.06474	6.4
145.10120	72.0
147.08009	2.1
147.11667	11.2
149.09572	1.4
149.13243	1.1
154.07756	1.6
154.94153	3.4
155.08528	4.9
156.09288	2.0
157.10110	11.6
158.07275	1.7
159.08047	2.7
159.11690	22.4
161.09628	3.3
161.13203	3.1
163.11108	1.1
168.09335	1.4
169.10136	7.7
171.11684	16.6
172.95241	10.2
173.09636	2.0
173.13269	8.6
175.11195	3.0
183.11693	9.2
185.13284	3.2
187.11168	13.9
187.14806	3.6
189.12711	1.4
190.96248	7.0
197.13280	8.8
199.14893	1.2
200.91908	0.9
211.14896	1.5
213.16351	2.4
215.14291	2.5
215.17972	1.0
227.09192	1.2
228.97856	2.8
229.19504	38.7
239.17934	14.7
245.10188	1.0
246.98938	1.5
254.10463	2.8
254.60844	1.0
257.08087	2.4
257.19000	100.0
257.30338	29.8
258.19360	1.7
279.23181	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	257.1899
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
52.23246	1.2
54.15998	1.0
55.05499	4.6
55.32471	1.3
57.07079	2.5
67.05511	6.9
69.07073	6.7
69.85049	1.1
70.12672	5.1
70.66307	1.2
71.04983	4.6
72.08093	1.1
73.92173	1.2
76.24356	1.3
79.05485	7.1
81.07062	7.4
83.04959	1.8
83.08626	2.3
85.06530	5.0
91.05466	8.5
93.07041	14.4
95.04967	6.0
95.08614	11.6
97.06496	1.4
99.08102	1.7
105.06422	1.8
105.07043	23.0
107.08596	15.7
109.06510	5.8
109.10171	10.5
111.08031	1.9
117.06986	5.2
119.08572	22.0
121.06471	1.5
121.10145	57.3
123.08048	5.2
123.11684	2.0
128.06213	2.6
129.06999	5.0
130.07780	1.5
131.08580	13.6
133.10135	10.6
135.08069	17.5
135.11682	4.2
137.09602	4.7
141.07036	1.8
142.07776	5.5
143.08553	17.1
144.09354	3.1
145.10132	23.2
147.11682	3.1
149.09593	4.9
153.06960	1.3
155.08519	5.8
156.09334	5.5
157.10132	26.6
158.10876	4.0
159.07936	1.2
159.11699	26.3
161.09552	1.5
161.13226	1.5
163.11182	5.2
168.09344	2.2
169.10133	10.7
170.10909	3.4
171.11702	16.3
172.08771	1.6
172.12375	1.2
173.09598	3.4
173.13272	28.6
174.14050	4.7
175.11163	4.2
175.14777	3.3
182.10936	2.1
183.11722	12.7
184.12489	3.6
185.13274	4.0
187.11211	6.7
187.14857	3.7
189.12776	1.9
195.11736	1.8
197.13229	10.8
198.11528	1.3
199.14819	31.2
201.12727	8.1
209.13322	1.7
210.14105	1.4
211.14714	2.0
213.16354	13.8
214.17146	3.8
215.14301	3.6
215.17976	11.4
224.15645	2.7
239.17969	15.3
257.19006	100.0
257.26718	4.4
258.19345	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	256.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36357	0.3
57.06799	0.4
57.07069	5.5
58.06587	1.6
60.08159	22.2
62.78719	0.3
69.47137	2.4
69.47552	0.5
71.08629	1.9
76.38860	0.3
85.10155	1.3
88.07648	0.3
98.21653	0.5
120.92654	0.3
143.56206	0.3
187.63237	0.3
228.19640	0.3
256.29971	100.0
257.30240	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	256.0814
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
55.01870	2.5
56.05024	0.9
57.02628	0.3
57.03162	0.4
57.03431	4.4
58.99844	0.3
59.04993	0.6
61.02914	1.0
69.03412	2.3
71.01343	1.4
71.05408	0.8
73.02910	2.7
80.04999	1.2
81.04533	0.4
83.06104	2.1
85.02899	3.0
86.06059	1.4
96.04492	0.8
97.02896	1.2
97.07644	1.3
99.09196	0.4
100.02461	0.9
103.02405	0.3
103.03938	0.7
104.09420	0.4
109.04028	0.6
109.07626	0.7
110.07127	0.3
114.05537	5.4
115.03898	2.1
117.03970	1.8
118.03484	0.5
119.01904	1.1
123.05549	3.3
124.03946	100.0
125.04286	1.0
127.05015	2.2
127.08663	1.1
133.04968	4.2
135.05042	1.2
137.02994	0.6
137.06003	0.6
139.47856	0.3
140.05507	0.5
143.01950	0.4
145.03468	1.0
149.00572	0.4
150.05499	0.4
155.08144	14.8
158.06651	0.9
163.04506	0.8
166.08580	0.4
167.01645	0.5
168.05104	0.8
168.06422	0.6
171.01376	0.4
176.07083	0.5
178.11731	0.3
184.04582	2.0
189.02454	1.2
207.03595	0.4
210.02440	0.7
212.04079	0.7
230.04974	0.6
235.13393	0.4
256.08142	1.0
256.13022	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	255.1227
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
53.03946	2.5
53.04182	0.7
55.01867	1.6
55.05505	5.8
57.03418	1.1
57.07068	1.5
59.05000	66.1
65.03931	1.8
67.05508	6.2
68.54057	0.8
69.03428	5.2
69.07061	2.4
69.64830	2.7
69.65257	3.2
70.06573	2.0
71.04986	1.2
72.08141	1.4
77.03938	1.9
79.05491	40.2
81.03389	1.3
81.07055	19.4
83.04980	17.6
83.08607	1.0
84.08147	1.8
85.06529	2.2
86.09705	1.7
91.05479	8.2
93.07040	7.8
95.04962	6.1
95.08622	2.1
97.06526	4.6
98.98470	12.0
101.06013	12.3
103.05430	1.0
105.04539	0.9
105.07030	10.6
107.04955	23.8
107.08590	8.4
109.06516	14.0
109.10168	1.1
110.07155	1.1
111.04440	7.3
111.08059	0.8
113.05981	2.3
116.06232	0.8
117.07021	3.9
119.04932	1.2
119.08566	5.9
120.08117	1.1
121.02856	0.8
121.06512	4.9
121.10148	8.4
123.04437	7.4
123.08080	2.9
125.06001	2.7
127.07555	9.4
129.05522	5.6
129.07031	1.5
129.10150	1.0
130.07773	2.9
131.08578	6.3
133.06471	0.8
133.10173	1.6
135.04413	27.0
135.08028	4.5
135.11685	3.5
137.05971	3.7
143.08533	1.2
145.06404	0.9
145.10127	14.5
145.11214	0.6
147.07953	0.7
147.11697	3.2
149.05952	3.3
149.09612	20.4
151.11166	0.9
153.05467	3.7
155.08505	1.0
159.08073	2.1
163.11166	15.6
173.09624	8.5
175.11119	0.8
177.07947	0.6
177.09105	28.6
191.10666	100.0
192.11015	2.4
192.39055	0.8
195.10208	5.2
201.09032	1.4
209.11763	3.2
219.10155	41.1
227.11662	1.0
237.11218	37.9
237.14864	1.5
238.20390	1.1
247.11879	0.8
255.08072	1.4
255.12323	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	255.1226
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
53.03936	2.1
55.01856	2.1
55.05513	3.3
57.03428	0.9
57.07062	1.2
59.04993	8.1
60.04525	0.8
61.75109	0.6
65.03929	1.1
67.05190	0.8
67.05504	10.0
69.03410	1.8
69.07055	2.8
70.06575	2.5
71.04998	1.6
71.26244	1.2
72.08137	1.0
77.03919	1.0
79.05489	26.9
81.03377	1.2
81.07046	8.4
83.04974	6.0
83.08601	1.5
84.08139	3.8
85.02879	1.2
85.06521	2.6
86.09683	2.8
91.05472	7.2
93.07040	6.2
95.04956	4.3
95.08604	7.5
97.02901	0.7
97.06560	3.0
97.10159	0.9
98.98462	10.7
100.07595	0.8
101.06026	1.3
101.55122	0.7
103.05437	1.9
105.04488	0.8
105.07036	9.0
107.04954	27.6
107.08603	6.6
109.06506	4.6
110.07137	1.0
110.09708	0.7
111.04472	1.5
111.08086	1.7
117.07002	5.8
119.04903	0.8
119.07909	0.6
119.08583	5.8
120.08095	3.9
121.06505	3.3
121.10127	3.2
123.04420	1.6
123.08047	2.2
125.05962	2.4
125.57990	0.6
127.07529	1.2
128.10718	1.1
129.05470	1.0
129.07085	1.2
129.10222	1.9
130.07767	2.1
131.08562	5.1
133.10129	0.7
135.04407	79.5
135.07899	1.2
135.11696	1.6
136.04706	0.7
136.07562	0.6
137.06023	0.9
141.05431	0.8
143.07114	0.8
143.08485	1.0
143.72694	0.7
145.08948	0.7
145.10110	14.9
147.11623	2.1
149.05991	1.7
149.09615	7.1
149.13361	0.9
153.05464	14.9
155.08498	0.7
158.07260	1.0
159.08080	1.0
159.11633	1.2
163.11176	4.5
165.07040	0.8
173.09567	6.5
173.13258	0.9
176.08365	1.7
177.09108	5.0
177.12709	1.5
191.10655	89.4
192.11011	1.4
193.12106	0.6
195.08035	0.6
195.10100	0.8
201.09207	0.7
209.11664	1.7
210.14897	2.3
219.10147	76.1
220.10547	1.5
227.11671	0.8
230.10370	0.6
237.11206	100.0
237.15012	2.6
238.11838	1.0
238.14374	4.4
255.06332	1.1
255.12170	4.8
255.15540	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	253.1433
Annotation	Frequentin
Peak:m/z	Relative Intensity
53.03930	0.6
55.01871	0.7
55.05508	3.6
57.03435	9.8
57.07068	1.5
65.03933	0.9
67.05502	27.7
69.03425	1.4
69.07073	2.6
70.06594	0.9
70.76429	0.9
70.76796	1.1
71.04991	1.5
71.65505	0.5
72.08165	0.5
73.66315	0.5
79.05496	9.5
81.07052	9.8
83.04979	1.9
83.08624	0.8
84.08139	0.8
85.06527	1.2
86.09701	0.9
91.05480	83.5
92.05836	0.8
93.07035	6.4
95.04957	4.3
95.08622	3.4
97.02900	1.0
97.06557	0.9
98.98464	51.2
100.11263	1.2
103.03901	0.6
103.05473	0.9
104.44676	0.5
105.07028	36.5
106.07400	0.7
107.04960	0.5
107.08605	4.4
109.06506	2.0
109.10148	1.7
111.04433	0.6
115.05426	0.7
116.99476	2.6
117.07028	3.3
119.03432	2.3
119.08581	5.1
120.08095	0.9
121.06496	1.6
121.10097	0.8
123.04420	0.8
123.08065	0.9
123.11722	1.1
128.06213	2.8
131.08546	2.8
132.76967	0.5
133.10126	100.0
134.10455	1.1
135.08061	0.9
135.11690	2.0
137.05992	1.1
140.01038	0.5
141.05486	0.7
141.06955	0.5
143.08572	6.2
145.10098	0.5
149.09586	0.6
151.07448	0.6
151.11208	5.9
161.09605	19.4
161.13226	0.6
174.99214	0.8
179.10651	3.2
185.16501	0.6
189.12709	0.8
197.11742	2.8
217.12183	1.5
217.15810	0.6
220.78828	0.5
235.13255	2.5
235.17006	0.6
253.08762	2.1
253.14349	31.6
254.05103	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	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22810	21.0
55.01868	21.6
57.02203	22.7
62.98253	39.7
64.87724	20.1
67.43140	21.0
69.85883	100.0
69.86288	30.1
70.08270	20.6
71.00161	21.7
74.29158	20.5
77.91526	20.7
78.95618	80.7
91.53129	20.1
94.93017	63.0
98.21532	33.2
98.98459	72.1
105.61250	20.2
116.06580	20.4
146.38181	25.8
154.99796	24.7
155.54716	19.3
172.92204	94.3
178.01228	38.1
200.45570	20.9
212.85164	20.6
219.02048	29.2
226.69025	21.1
235.53722	20.4
236.99811	62.0
254.86166	56.1
255.06067	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	255.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
55.98626	0.8
57.03428	3.9
66.81930	0.8
69.03410	2.3
69.82065	4.4
71.01353	1.2
72.08128	1.1
73.02901	2.9
78.03458	1.3
80.05010	2.3
83.06110	1.2
84.08125	2.1
85.02896	3.1
87.04477	0.8
93.04539	1.2
97.02879	1.3
98.98466	5.0
106.02915	5.9
110.07164	13.9
115.03899	1.3
120.08098	1.1
123.05550	100.0
124.03951	16.3
130.08691	0.8
133.04980	2.8
134.05991	0.9
134.47614	0.8
142.07343	1.0
145.03499	1.0
150.96001	0.9
151.05888	1.1
156.07722	5.6
156.97493	4.1
174.98514	3.4
182.79095	0.9
182.99026	1.5
201.00116	3.7
209.13930	1.1
226.97978	1.2
254.97122	4.5
255.06230	2.5
255.14268	2.3
255.17053	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	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03946	2.0
55.01867	4.6
55.05510	6.2
56.04955	0.8
57.07061	1.0
65.03936	1.1
67.05505	16.9
69.03419	4.4
69.07066	6.2
69.66705	5.8
71.04996	10.6
72.55975	0.8
79.05489	26.6
81.03425	1.5
81.07053	50.4
81.92931	0.9
83.04979	6.7
83.08606	3.5
84.08128	1.7
85.06549	5.1
86.09714	1.5
91.05474	18.0
93.07041	42.9
95.04959	14.6
95.08605	20.2
97.06522	15.1
97.07145	1.1
98.20724	1.1
98.98463	37.9
99.04446	7.8
103.05483	1.1
105.07030	30.1
107.04966	7.1
107.08584	19.1
109.06513	31.8
109.10133	4.1
111.04429	1.4
111.08065	4.6
113.06008	5.6
115.05457	1.1
116.99489	2.1
117.07021	3.4
119.04937	2.1
119.08576	18.3
120.08127	1.5
121.06499	100.0
121.10142	2.7
123.04452	5.0
123.08071	4.5
123.11655	1.2
125.05986	3.0
127.07541	12.3
127.33270	0.9
128.06238	2.5
129.06996	5.9
131.08571	4.8
133.06473	4.2
133.10138	8.6
135.04446	5.6
135.08075	10.7
137.05986	5.5
139.07530	20.0
141.05487	2.9
141.06975	1.3
142.00647	0.8
142.07758	4.9
143.07024	0.8
143.07445	1.1
143.08542	9.2
145.10114	6.5
147.08076	5.2
147.11684	24.6
149.09711	1.4
151.07562	2.1
155.08540	2.2
156.09315	4.0
157.06482	1.5
157.08763	1.8
157.10104	15.3
159.06505	1.0
159.07993	2.1
160.08768	1.4
161.06024	1.9
161.09656	2.1
161.13251	12.2
162.33269	0.8
163.11162	1.5
163.14783	1.4
165.07013	2.6
165.12755	3.6
166.07768	4.8
169.10049	1.1
171.08008	1.5
171.11681	16.4
173.09607	3.5
173.13217	1.4
175.07494	0.9
175.11179	18.4
181.10110	7.4
184.08830	2.6
189.09180	1.0
189.12730	20.9
193.10683	0.6
193.12239	17.7
199.11171	35.0
207.13841	10.0
211.13268	1.6
217.12228	79.7
235.13272	32.7
243.23317	0.9
253.14355	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	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03943	1.6
55.01877	3.2
55.05505	5.1
57.03420	0.8
57.07076	3.5
65.03920	0.8
67.05499	8.8
69.03438	1.9
69.07072	5.9
70.06584	2.6
71.04996	3.8
71.08633	0.9
71.51811	1.1
72.08144	1.5
79.05491	10.1
81.03416	1.3
81.07055	20.6
83.04968	3.5
83.08614	3.1
84.08122	1.7
85.06540	1.8
86.09695	2.7
86.44107	0.7
91.05479	8.9
93.07043	20.7
95.04966	5.7
95.08597	8.2
97.02905	0.9
97.06519	6.7
97.10169	0.7
98.98463	100.0
99.04467	4.2
100.98870	1.0
105.07024	12.2
105.90120	0.6
107.04951	1.7
107.08588	9.5
109.06512	10.2
109.10146	4.4
110.07153	0.9
111.04471	0.8
111.08063	1.5
113.06012	0.8
116.99483	4.3
117.07003	1.4
119.04946	2.0
119.08588	8.1
120.08109	1.7
121.06503	27.9
121.10131	2.8
123.04439	1.4
123.08087	1.9
123.11763	1.3
125.02419	0.8
125.06042	1.3
125.37189	0.6
127.07551	4.5
127.26331	0.7
128.06204	1.1
129.06998	2.3
129.10242	1.8
131.08563	2.4
133.06497	1.4
133.10114	7.4
135.04395	1.4
135.08040	5.6
137.06001	1.6
139.07521	8.9
140.01071	1.5
140.10709	1.0
141.05460	2.0
141.06979	0.8
142.07773	2.3
143.08575	3.5
143.09683	0.7
143.63977	0.6
145.10168	2.8
147.08015	2.4
147.11665	10.0
149.09569	0.8
151.07567	0.9
151.11220	1.4
156.09360	2.1
157.10095	5.5
161.09630	1.1
161.13264	3.7
165.07034	0.9
165.12769	2.9
166.07796	1.5
168.10255	1.5
168.13855	1.2
171.11662	6.5
173.09550	1.1
174.99214	1.8
175.01656	0.7
175.11179	9.4
176.98956	1.4
181.10066	1.0
189.12741	9.8
193.08589	0.8
193.10735	0.7
193.12201	4.3
196.13358	2.0
197.11736	2.2
199.11160	11.0
207.13820	4.4
217.12218	27.9
235.13261	21.8
253.08670	2.1
253.12537	1.0
253.14388	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	253.1184
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
50.18989	0.4
55.55105	0.4
57.07082	0.8
60.04524	63.1
67.05512	0.8
69.07058	1.1
69.90969	2.7
70.02969	0.8
70.06606	2.7
71.05024	0.6
72.08157	0.9
79.05482	0.6
81.07055	1.1
84.04501	1.1
84.08148	3.3
86.09712	2.0
86.23708	0.4
86.62436	0.5
87.05595	2.6
88.83919	0.4
91.05499	1.5
93.07037	1.2
95.08582	1.0
98.21471	0.5
98.98466	36.8
103.05459	3.4
105.06989	0.5
107.04942	1.3
110.07167	1.2
116.99474	1.0
119.04990	0.5
120.08101	100.0
121.08437	1.0
129.10223	0.9
131.04929	2.3
132.08092	0.6
136.07545	0.7
141.05482	0.5
144.08083	2.1
149.05995	1.9
156.07698	0.5
162.05539	0.5
162.09151	3.0
166.08635	58.6
167.08969	0.9
197.11746	0.5
206.08171	0.9
207.11279	15.9
229.66832	0.5
235.10634	3.0
243.68059	0.5
253.08572	1.9
253.11807	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	253.1182
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
53.03954	0.2
54.93835	0.2
55.01868	0.3
55.05495	0.5
56.05022	0.6
57.03446	0.3
57.07056	0.7
60.04520	1.4
63.14696	0.2
67.05492	0.6
69.03414	0.8
69.07056	0.8
69.96175	0.2
70.02948	0.2
70.06590	2.4
70.91003	0.4
71.05000	0.3
71.06119	0.3
71.94096	0.5
72.08143	1.6
74.06062	0.5
77.03891	0.2
79.05491	0.5
80.05048	0.2
81.07035	0.7
82.06583	0.3
83.06100	0.4
84.04504	1.2
84.07640	0.3
84.08145	3.9
85.02917	0.3
86.09693	1.5
88.03980	0.6
91.05474	1.1
91.08568	0.2
93.07044	2.1
94.06555	0.6
95.04948	0.3
95.06066	0.4
95.08612	0.5
97.04005	0.2
98.06036	0.2
98.98465	23.4
102.05578	0.3
103.05463	6.2
105.07028	0.4
106.05016	1.2
106.06532	0.2
109.10162	0.5
110.06024	0.4
110.07167	4.2
116.03444	0.2
116.07069	0.3
116.99515	0.6
118.06542	0.4
119.04934	0.3
120.08101	100.0
121.02897	0.2
121.05106	1.3
121.06496	0.2
121.08450	1.1
122.06054	0.3
123.04430	0.4
124.07587	0.3
126.05473	0.3
129.10269	1.4
130.05003	0.2
130.08659	0.4
131.96201	0.3
132.04422	0.2
133.06497	0.2
134.06018	0.4
136.06178	0.3
136.07603	1.1
136.08461	0.2
137.05963	0.3
138.05504	0.3
140.01025	0.3
141.05470	0.2
141.06944	0.3
141.10248	0.2
147.04449	0.3
147.11330	0.3
149.07146	0.6
149.97191	0.4
150.05530	2.4
152.07076	0.3
156.07678	1.3
162.05534	0.3
165.10184	0.2
166.03358	0.4
166.04993	1.8
166.08624	0.3
167.08127	0.3
169.91748	0.8
173.07166	0.2
174.99147	0.3
175.05055	0.3
176.03441	0.8
176.98940	0.3
178.03214	0.3
180.06567	0.3
187.92786	4.3
188.92480	0.2
191.08353	0.4
193.06065	1.1
194.04544	1.0
197.06273	0.2
197.11664	0.5
205.93892	1.3
207.07907	0.2
207.11267	0.3
208.09943	0.2
209.07402	0.4
210.94446	0.7
211.07245	0.5
225.05421	1.9
229.93851	1.3
235.07437	0.3
235.11000	0.7
235.11795	0.6
247.94861	0.5
253.06067	0.2
253.08591	4.5
253.11850	2.8
254.04901	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	252.0866
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
51.02372	0.6
53.03714	0.3
53.03947	3.5
56.05033	0.6
59.20643	0.2
62.03119	0.2
71.21950	0.2
71.44926	0.3
77.03891	1.0
81.03416	0.4
83.55834	0.2
84.04503	13.2
86.09718	0.3
95.04971	5.1
98.98459	0.4
102.05542	3.7
105.03391	100.0
106.03715	0.8
107.60731	0.2
115.15571	0.2
117.07010	0.4
130.04996	8.8
131.77444	0.2
134.04526	0.2
136.06279	0.3
145.06445	0.3
163.07440	0.4
164.07068	0.4
180.10130	0.3
206.08131	2.1
234.07631	1.1
234.09795	0.2
252.08698	1.3
252.16106	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	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44162	0.3
56.64941	0.4
70.02940	0.8
70.51681	0.9
71.48128	0.3
71.67364	0.4
77.03931	0.4
79.05499	0.5
79.61551	0.4
86.09722	0.5
87.00810	2.4
91.05479	1.2
93.07050	1.6
98.20789	0.4
98.98463	1.3
103.05461	7.7
105.03378	0.8
107.04988	0.5
118.06535	9.8
119.71376	0.4
120.08094	100.0
121.08413	0.9
128.04961	1.6
131.04865	0.8
135.08983	0.4
137.06078	0.3
142.34709	0.4
144.08128	0.4
146.06004	19.3
166.08626	1.8
172.76971	0.4
174.19106	0.4
177.77640	0.4
188.07054	16.1
192.06534	1.2
206.08110	50.3
207.08411	0.7
234.07611	1.3
252.08745	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	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85382	0.2
51.02366	0.5
53.03947	3.0
53.14519	0.2
56.05017	0.3
60.43101	0.2
61.86493	0.2
63.72638	0.2
71.48235	0.4
72.08165	0.4
77.03909	1.2
81.03424	0.3
84.04498	12.0
84.08124	0.2
88.03999	0.4
91.05466	1.0
95.04961	5.2
98.98470	0.6
102.05544	3.2
105.03386	100.0
106.03723	0.4
130.04994	7.6
134.04498	0.5
136.06166	0.6
145.06410	0.5
163.07545	0.2
164.07140	0.5
180.10242	0.4
206.08095	1.3
234.07564	0.7
247.35481	0.2
252.08667	1.1
252.16096	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	252.1091
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
51.87986	0.2
55.01849	0.2
56.05032	0.3
57.07056	0.3
60.04523	0.5
69.03429	0.4
69.07081	0.4
70.06583	0.9
70.75893	0.5
71.04987	1.0
71.24224	0.2
72.08169	1.6
73.02917	1.3
84.04492	1.2
84.08135	2.6
86.09702	1.8
88.03989	0.4
91.05502	0.2
94.04044	0.6
98.98468	6.2
99.04441	1.1
105.07019	0.4
110.07157	0.5
115.27061	0.2
117.05508	2.2
119.03537	0.9
120.08176	0.3
121.05095	0.3
121.06466	0.3
129.10240	1.0
131.96140	0.2
133.06497	0.5
134.09688	0.2
135.04448	0.3
136.06181	100.0
137.04591	0.5
137.06606	0.4
139.69241	0.2
157.09633	0.2
161.05983	0.7
187.92805	0.3
190.12305	0.3
193.08635	0.7
205.98911	0.2
209.80983	0.2
235.14494	0.3
252.06921	0.2
252.10977	1.0
253.08755	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	253.0818
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
55.05504	1.5
56.05033	1.1
57.07071	1.7
60.32402	0.5
60.87526	0.5
65.03933	0.7
67.05496	2.5
69.03426	1.3
69.07056	1.3
69.78404	3.5
70.06571	2.1
72.08144	0.8
74.02438	3.2
79.05496	1.4
80.05010	0.7
81.07059	3.1
83.04998	0.6
83.08627	0.8
84.04501	1.3
84.08136	3.0
86.09708	2.4
88.03965	0.9
91.05491	1.9
93.16096	0.6
95.04961	0.9
95.08603	1.4
96.04473	0.8
97.06557	0.8
98.98464	100.0
99.04495	0.6
100.98880	0.9
105.07047	1.4
105.97339	0.5
106.06557	3.0
107.08591	0.6
108.04471	1.2
109.10141	1.0
110.06037	2.0
110.07177	1.1
111.04424	0.9
116.04974	1.1
116.91815	0.6
116.99504	4.3
118.06523	2.8
119.06153	0.6
119.08612	0.7
120.04453	1.9
120.08121	1.5
121.06484	0.8
121.10164	0.6
123.08044	0.7
123.11713	0.5
126.05535	1.5
129.10214	1.1
130.06502	0.6
133.07611	1.1
134.05006	1.0
134.06010	17.1
136.03941	1.4
136.07640	0.9
137.05995	0.8
140.01045	0.9
141.05455	1.1
143.06067	0.7
144.04453	1.8
145.05226	0.7
145.99265	0.5
146.04832	1.1
146.06000	22.2
147.04439	0.7
147.05487	0.9
148.03915	1.5
152.07062	1.2
156.07697	1.3
158.06013	1.1
161.07085	3.5
162.05504	34.3
163.06235	0.9
164.03412	7.1
166.05000	0.9
166.08575	0.9
171.05482	0.8
172.04030	0.7
173.07091	3.2
174.05505	0.8
174.99226	2.2
175.11182	0.7
176.98944	2.4
179.08229	0.8
180.06554	1.4
188.92537	0.5
189.06601	3.7
190.04955	5.2
191.08234	0.7
193.08643	0.6
197.11731	2.2
203.05745	1.0
207.07658	12.4
208.06000	1.2
208.72739	0.6
217.06157	0.7
218.04428	0.8
219.07655	2.3
220.08397	4.2
222.02112	0.7
225.05412	1.7
225.08733	0.7
235.07094	3.2
236.05539	2.1
236.07983	2.0
253.08339	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	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03940	0.6
55.01874	0.5
55.05510	5.0
56.09811	0.4
57.07073	7.4
65.03925	0.8
67.05504	24.0
69.07064	4.8
70.86919	1.1
70.87277	0.5
71.04994	0.9
74.31305	0.5
79.05489	10.0
81.07055	25.9
83.04981	1.1
83.08622	4.4
91.05495	4.0
91.65643	0.5
93.07047	7.9
95.04971	1.3
95.08603	23.2
95.33865	0.4
97.06537	3.1
97.10162	1.4
98.98465	100.0
105.07032	2.7
107.08585	5.8
109.10152	10.3
110.67062	0.4
111.08070	2.1
116.99469	4.2
117.07024	0.5
119.08610	2.8
120.08139	0.6
121.06620	0.5
121.10136	6.8
123.08034	0.6
123.11679	3.0
125.09551	0.4
129.06969	0.4
131.08540	1.2
133.10144	4.4
135.11671	4.2
135.30316	0.4
137.09602	1.5
137.13272	1.1
137.86110	0.5
139.03903	1.9
139.11169	0.9
140.01100	1.8
145.10136	1.8
147.11688	0.9
149.09650	0.7
149.13268	2.1
151.11185	1.7
159.11699	1.2
163.11250	0.7
173.13290	0.8
174.99213	3.5
181.12086	0.5
191.17918	0.6
195.10147	4.4
195.13808	0.8
197.13055	0.4
205.98851	0.8
215.17950	3.5
233.19023	1.8
251.04967	0.5
251.13994	0.7
251.16481	6.7
251.20114	8.3
251.25549	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	251.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
55.01867	1.6
55.05503	2.9
59.04987	1.4
63.60241	0.6
65.03931	1.1
66.02187	0.6
67.05495	6.0
69.03410	2.4
69.07050	4.9
69.86865	4.1
70.06598	1.7
70.07382	1.2
71.04986	4.8
71.20232	0.6
72.08166	1.5
79.05492	10.5
81.03397	1.7
81.07051	10.7
83.04964	4.2
84.08141	3.1
85.06551	3.3
86.09702	4.0
89.03934	0.9
91.05476	17.0
92.05810	2.1
93.07043	18.9
95.04970	6.9
95.08605	5.4
97.06525	7.8
98.06860	2.8
98.20832	0.8
98.98463	100.0
99.04427	3.5
105.07018	12.7
106.97585	0.7
107.04969	3.5
107.08587	8.1
109.06513	13.5
109.10168	2.5
111.04417	3.4
111.08087	1.2
113.05979	0.9
115.05430	1.3
116.99483	3.6
117.03372	2.5
117.07017	6.3
119.04958	4.9
119.08575	5.4
120.05224	1.0
120.08102	2.0
121.06499	5.5
121.10154	5.4
122.10568	0.7
123.04491	1.2
123.08069	1.1
125.05991	2.3
127.07552	1.2
129.07001	1.2
129.10225	1.9
130.07761	1.8
131.04909	1.4
131.08562	7.8
133.06496	2.5
133.10112	2.7
135.08051	7.7
135.11655	3.3
137.04900	1.4
137.05971	29.0
137.09549	0.7
138.06310	10.0
139.07530	1.5
140.01067	0.7
141.07014	0.9
143.08592	3.5
144.09273	1.0
145.02878	3.0
145.06503	3.1
145.10120	19.7
147.08055	2.7
147.11635	1.4
149.06032	1.7
149.09642	2.5
151.07535	2.2
153.05574	0.9
153.09099	1.5
153.12711	1.9
155.08528	1.3
159.08041	1.0
159.11713	7.1
161.05957	1.2
161.09651	2.0
162.03130	0.9
163.07533	1.8
163.11165	6.1
169.10109	2.5
171.11661	0.9
173.09633	8.8
174.99174	3.7
177.05521	4.7
177.06868	0.8
177.12717	1.9
181.12270	1.2
187.11172	9.8
189.09079	1.0
189.12718	1.1
191.08658	1.3
191.10651	10.9
197.09686	1.6
198.76193	0.7
205.12221	8.2
209.11668	0.8
215.10693	8.4
233.11722	9.6
234.12035	8.9
251.06998	0.9
251.10588	1.3
251.12708	8.0
251.16493	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	251.1277
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
51.97250	2.4
52.48902	2.0
53.03936	5.4
55.01871	4.4
55.05505	4.1
65.03931	3.7
67.05498	23.0
68.59859	2.3
69.03417	4.9
69.07059	5.8
71.04999	30.0
77.03906	2.0
79.05492	25.8
80.23035	2.4
81.03394	2.8
81.07059	23.8
83.04979	30.5
85.06547	11.0
86.09690	2.8
89.04975	2.3
91.05473	50.4
92.05753	4.1
93.07039	47.7
93.25908	2.1
95.04967	22.0
95.08596	9.6
97.02898	2.8
97.06548	16.5
98.98463	35.5
99.04457	20.8
103.05455	3.0
105.07030	59.2
107.04949	15.6
107.08582	21.5
109.05807	4.5
109.06516	67.1
109.08166	2.1
109.10203	3.9
111.04445	11.4
111.08007	2.8
113.05962	4.1
115.05469	5.9
117.07009	24.9
119.04900	6.5
119.08572	17.5
121.06508	12.7
121.10123	9.1
123.04458	3.7
123.08092	5.3
124.53627	2.3
125.05992	8.0
128.06213	3.6
129.06975	6.6
130.07767	10.9
131.08557	39.0
133.06493	12.7
133.10147	3.1
135.08064	32.8
135.11679	8.7
137.05977	51.2
138.06317	9.1
139.07484	2.7
143.08540	14.5
144.09338	3.5
145.06494	13.5
145.10126	100.0
147.08057	12.2
147.11694	4.1
149.06033	3.2
149.09593	7.5
151.07545	13.1
153.05360	2.7
153.09148	12.3
153.12788	4.8
154.07797	3.9
155.08556	5.5
158.07205	3.2
159.08034	4.2
159.11693	25.2
161.09604	6.2
163.07550	5.2
163.11185	27.5
169.10117	6.5
173.09622	48.6
177.12691	3.9
181.12216	3.0
187.11183	42.1
189.09158	7.8
191.10672	65.6
193.08601	3.4
197.09592	6.5
201.58725	2.3
205.12253	35.2
215.10620	27.4
224.47932	2.6
228.26247	2.6
233.11736	47.5
234.12070	9.5
238.97202	2.7
251.12790	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	251.1277
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
50.79826	1.9
52.63870	2.1
53.03934	4.5
55.01868	6.2
55.05507	4.5
60.80157	2.1
64.92135	2.1
65.03933	3.3
67.05504	11.6
69.03416	6.5
69.07066	11.7
70.06563	2.7
70.07392	3.7
70.80989	5.2
71.04988	7.7
79.05489	27.4
81.07051	68.9
83.04979	3.0
84.08118	5.1
85.06537	4.9
86.09707	6.1
91.05482	29.6
92.05796	5.7
93.07042	43.2
95.04967	22.1
95.08602	11.7
97.02895	4.4
97.06535	17.5
98.06847	5.4
98.98463	100.0
99.04446	9.5
105.07017	30.2
105.34726	2.0
107.04923	12.1
107.08593	13.2
109.05811	3.9
109.06518	58.6
109.10147	3.5
111.08031	3.4
113.06016	3.7
115.05492	2.5
117.07001	11.1
119.04942	26.6
119.08563	8.0
120.05238	3.9
121.06508	24.6
121.10102	4.0
123.04404	3.8
125.05967	4.7
127.07527	5.9
128.06247	3.6
129.07019	3.9
129.10284	2.8
130.07747	3.6
131.04924	2.3
131.08534	15.4
133.06462	6.0
133.10139	2.5
135.04422	2.6
135.08040	7.4
135.11697	12.1
137.05974	93.9
138.06294	28.4
139.07506	10.4
141.06952	2.3
143.08560	5.8
144.09380	3.9
145.06470	9.2
145.09061	4.2
145.10121	46.7
147.08044	2.9
147.11710	3.1
149.05858	2.8
149.09625	2.7
150.06340	3.0
151.07533	3.3
154.07724	4.9
157.08636	6.0
158.07280	4.4
159.08043	6.7
159.11661	27.6
161.09644	2.1
161.13255	2.3
163.07501	2.7
163.11154	32.9
169.10156	9.7
171.11691	7.0
172.08794	2.4
173.09631	20.3
174.99278	3.9
179.08531	9.9
181.12225	15.2
182.07243	3.5
187.11172	45.5
189.09076	3.4
191.07133	2.3
191.10635	15.8
192.43126	2.0
197.09628	19.0
205.12270	19.3
215.10670	54.5
227.12830	3.2
233.11720	33.6
234.12071	30.4
251.08778	4.6
251.12697	23.4
251.20294	2.2
251.23714	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	251.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01864	2.0
55.05514	3.1
55.46438	0.6
56.96565	1.5
57.07070	0.9
67.05500	6.1
69.03421	2.8
69.07070	5.4
70.06577	1.5
70.07390	1.7
71.05006	3.8
71.54305	0.9
72.08149	1.7
79.05489	10.9
81.03403	1.0
81.07053	24.8
81.07540	1.3
83.04974	1.9
83.08656	0.7
84.08131	1.8
85.06535	1.2
86.09694	2.2
91.05486	8.7
92.05804	1.5
93.07040	13.5
95.04958	7.5
95.08614	6.9
97.02887	1.7
97.06528	7.1
97.10194	1.1
98.06870	1.1
98.98463	100.0
99.04455	2.9
99.08118	0.8
103.05463	0.9
105.07018	10.3
107.04942	4.1
107.08592	7.3
109.06512	17.2
109.10148	2.4
111.04408	1.1
111.08079	1.2
113.06013	1.6
115.05470	1.3
116.98589	2.0
116.99512	4.1
117.03407	0.8
117.07050	4.2
119.04934	6.3
119.08613	2.7
120.05289	1.4
120.08122	1.0
121.06504	9.1
121.10131	5.3
122.10480	1.1
123.04423	1.2
123.08034	0.7
123.11726	0.8
125.05984	2.0
125.95988	0.6
127.07562	1.6
128.06253	0.9
129.07011	1.9
130.07767	1.5
131.00223	0.8
131.04947	1.4
131.08549	4.7
133.06487	2.4
133.10136	1.8
134.99684	1.0
135.04373	0.8
135.08026	2.9
135.11682	3.8
137.05975	23.6
137.13293	0.8
138.06294	8.0
139.07559	3.4
140.01093	1.0
141.05467	0.7
141.07004	1.4
143.08540	2.2
144.09351	0.9
145.02856	1.9
145.06502	3.9
145.10109	12.3
147.11699	1.9
149.01280	0.8
149.05962	0.8
149.09631	1.5
151.07640	1.1
153.05522	0.6
153.06905	0.9
153.12769	0.6
154.07748	1.1
155.08508	1.0
157.08615	1.8
157.10132	0.7
158.07315	1.8
158.99663	1.3
159.08101	1.9
159.11681	8.8
161.05974	0.8
163.11177	7.1
169.10159	2.5
171.11771	1.6
172.08878	1.7
173.01234	1.2
173.05965	1.1
173.09622	5.8
173.13301	0.8
174.99225	3.5
177.00771	1.0
177.05455	2.4
177.12769	1.0
177.16357	0.9
178.16774	1.1
179.08557	1.5
181.12206	4.7
182.07210	1.2
187.11165	13.2
187.14775	0.9
191.02264	1.3
191.10667	5.1
191.14371	0.8
197.09589	5.9
205.08644	1.0
205.12230	4.5
205.15936	0.7
215.10678	16.7
227.12901	0.6
233.11696	10.7
234.12067	9.4
251.07001	0.7
251.08923	0.8
251.10782	0.6
251.12776	5.6
251.16492	2.5
251.20142	1.6
271.36508	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	251.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42583	0.4
50.53698	0.4
51.02375	0.6
53.03943	0.7
55.01860	1.5
55.05507	1.7
56.96548	1.3
57.03431	0.6
57.07069	0.6
59.04987	0.6
65.03943	0.7
67.05503	3.8
69.03418	1.8
69.07063	3.8
69.88377	2.7
70.06583	1.7
70.07397	1.4
70.35260	0.4
71.04977	2.0
72.08140	1.3
75.99361	0.5
77.01602	0.5
79.05490	7.3
81.03429	0.9
81.06598	0.8
81.07054	14.1
81.07530	0.8
83.04971	1.0
83.08614	1.0
84.08131	2.5
85.06548	1.6
86.09702	2.5
89.03913	1.0
91.05473	6.0
92.05786	0.8
93.07046	8.8
95.04979	4.7
95.08587	5.5
96.08916	0.4
97.02895	1.1
97.06528	4.0
97.10162	0.5
98.06898	1.2
98.20733	0.5
98.98463	100.0
99.04472	2.1
103.05422	0.7
105.07022	7.3
107.04948	1.5
107.08596	4.8
109.06512	9.1
109.10159	2.4
110.07114	0.7
111.04449	0.6
111.08067	0.7
113.06010	0.8
115.05458	1.1
116.06248	0.5
116.98611	2.0
116.99495	4.9
117.03364	1.4
117.07014	2.1
119.04953	4.3
119.08551	2.6
120.05289	0.7
120.08092	1.3
121.06504	5.7
121.10121	4.2
122.10474	0.7
123.04455	1.1
123.08037	0.9
123.11684	0.9
125.05964	1.4
127.07552	1.2
129.06943	1.2
129.10278	0.9
130.07808	0.5
131.00201	0.8
131.08568	3.1
133.06494	2.1
133.10117	1.6
134.99629	1.3
135.04407	0.7
135.08070	1.8
135.11673	3.6
137.05969	14.5
137.09615	0.5
138.06313	4.8
139.07518	1.7
140.01059	1.2
141.06979	1.1
143.08537	1.2
144.05702	0.5
144.09264	0.6
145.02831	2.0
145.06473	2.1
145.10115	8.7
147.08025	1.3
147.11667	1.3
149.06006	1.7
149.09636	0.9
149.13237	0.7
154.07739	0.8
155.08537	1.1
157.08560	0.6
158.07263	0.7
158.99684	1.0
159.08104	0.7
159.11688	4.7
161.05992	1.0
161.09642	0.5
163.07541	1.0
163.11186	4.5
169.10152	1.8
173.01225	1.0
173.05989	1.3
173.09628	3.8
174.99202	3.3
177.00728	1.5
177.05450	3.5
177.12770	0.8
177.16379	0.7
179.08618	1.4
181.12277	2.5
187.11168	6.6
189.12769	0.7
190.07851	0.6
191.02315	1.2
191.07066	1.1
191.08824	0.6
191.10635	2.9
191.14362	0.9
197.09624	3.1
202.98593	0.9
205.05032	1.5
205.08717	0.8
205.12178	2.6
215.10667	9.3
215.14380	0.5
219.08276	0.5
221.04527	0.6
233.11728	5.3
233.15442	1.1
234.12062	5.2
244.99571	0.8
246.00227	0.6
251.06898	0.7
251.08884	0.8
251.10759	0.9
251.12709	2.8
251.16588	2.5
251.20103	1.7
252.12529	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	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	5.5
55.01846	3.9
55.05508	19.1
56.96566	2.8
57.07056	4.5
59.04981	3.3
61.25717	2.2
63.57852	2.1
65.03909	2.3
67.05506	32.6
69.07059	22.0
71.04989	5.6
71.51689	4.1
73.06541	3.1
79.05491	92.6
81.06599	3.1
81.07053	45.4
83.04958	3.4
83.08619	12.3
91.05475	48.5
92.29897	2.1
93.07039	100.0
95.04948	12.8
95.08591	34.8
97.06504	3.4
97.10206	3.6
105.07029	34.0
107.08588	54.5
109.06500	3.7
109.10143	15.1
117.04662	2.5
117.07017	6.1
119.08561	32.9
121.06501	3.9
121.09334	4.7
121.10136	52.8
123.08052	7.7
129.06972	6.8
131.08556	10.8
133.10124	39.0
135.08047	3.3
135.11691	42.3
137.05934	3.5
145.10100	8.8
147.08023	5.4
147.11668	26.3
149.09576	6.0
149.13234	10.3
151.11145	3.0
153.09036	2.3
157.06436	3.0
157.10121	4.0
159.11687	3.5
161.09593	7.5
161.13235	4.3
163.11186	4.2
165.12715	2.8
167.10680	2.8
171.11690	8.5
175.11229	4.6
185.13280	2.6
187.14920	3.0
189.12697	6.5
189.16319	12.6
193.12321	4.5
203.14244	6.9
203.17961	5.7
207.13747	6.4
213.16399	10.6
231.13812	5.6
231.17410	11.6
249.14783	3.4
249.15775	4.2
249.18486	84.8
250.18990	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	250.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
65.03934	1.0
67.05507	2.1
69.03450	0.5
69.07069	22.1
69.45924	1.3
69.46331	2.0
79.05495	5.5
81.07047	1.2
83.04984	0.7
85.36284	0.5
86.09708	0.6
91.05479	23.4
93.07080	0.8
95.04948	0.7
97.06535	21.7
98.20714	0.5
98.98459	5.5
105.07047	0.7
107.04932	0.8
109.06526	2.0
117.07038	0.9
119.04941	14.3
120.70841	0.5
121.06503	0.5
131.05003	0.4
133.06416	0.6
135.04414	1.0
136.05206	1.8
137.05977	100.0
138.06296	0.8
145.10117	0.5
149.05980	1.3
154.08455	0.4
158.53343	0.4
161.69173	0.4
162.18800	0.4
163.03947	2.4
163.11348	0.4
168.25360	0.5
187.11238	0.4
191.10585	0.7
192.52345	0.4
193.23389	0.4
215.10674	1.8
233.11720	56.3
234.11890	0.5
250.09117	0.5
250.14391	1.6
252.29594	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	249.1266
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
53.03962	0.5
53.45820	0.4
55.05508	11.9
56.05037	4.9
57.03423	0.7
57.05821	0.9
57.07068	0.4
60.04518	1.7
61.01152	1.7
67.05495	0.6
68.90623	0.5
69.03423	1.0
69.07072	0.8
69.78658	2.8
70.06593	4.0
72.08154	100.0
73.08499	0.6
74.02438	1.2
74.06080	1.1
79.05498	1.0
80.05022	0.6
81.03415	0.5
81.07043	0.6
82.06568	0.5
83.05010	0.5
83.06088	0.8
84.04503	2.5
84.08143	10.7
85.02914	1.2
85.06537	0.9
85.08501	0.5
86.09708	7.9
88.03997	0.9
91.05482	1.8
93.07056	0.5
94.06580	0.9
95.04977	0.8
95.06083	0.6
95.08616	0.5
97.02905	2.0
102.05555	1.5
103.05494	0.5
104.05330	4.6
105.07049	0.7
106.06576	1.1
107.04955	0.5
109.02943	0.5
110.06058	0.5
110.07165	6.2
110.09710	0.9
112.08761	0.5
115.08678	0.4
119.04950	0.6
119.08614	1.0
120.08120	4.4
122.06053	1.1
123.04434	0.9
129.10249	3.4
130.05025	1.0
130.06558	0.4
130.08646	1.4
131.04913	0.5
131.08566	0.4
133.03192	4.7
133.06462	0.6
134.06024	2.8
135.04451	0.7
136.06195	1.3
136.07628	1.1
136.37395	0.4
137.05983	1.0
143.08569	0.7
145.10173	0.7
147.04486	0.7
147.08073	0.7
147.11447	0.8
148.07623	0.5
150.05801	17.6
151.08727	1.1
152.07167	0.6
155.11882	1.1
156.07675	1.0
157.07690	0.5
158.06026	0.6
161.01216	0.5
161.06035	0.9
161.09692	1.0
162.05460	0.5
164.07034	0.8
164.11922	0.8
175.07838	0.5
176.07066	1.5
177.07892	1.0
185.13341	0.6
191.03935	0.5
192.12456	0.7
201.12456	0.5
203.06993	0.5
203.12129	1.2
204.72273	0.6
205.04904	0.6
205.10704	1.6
206.08310	0.7
206.11745	4.5
231.13803	0.9
232.03735	1.8
232.05959	0.5
237.13466	0.5
249.08200	1.0
249.12682	4.7
249.14816	0.5
249.18529	1.0
250.09213	1.1
250.14508	1.8
251.14949	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01846	0.7
67.05486	1.0
69.03420	1.1
69.07056	1.1
69.34241	4.7
70.06589	0.7
79.05505	0.7
91.05482	9.3
97.02873	0.6
97.06531	2.5
101.43340	0.5
103.05440	1.1
105.07040	3.1
105.32486	0.5
107.04937	1.6
114.43259	0.5
115.05436	5.4
116.06215	3.4
116.49369	0.5
117.07014	2.8
119.04914	1.3
119.08599	0.8
120.08085	1.7
125.10606	0.6
128.06235	8.4
129.07005	20.6
130.07767	0.8
131.04883	1.6
131.07614	1.0
131.08565	16.4
132.05684	1.2
133.06506	3.2
133.10110	1.2
136.07581	1.0
137.05989	5.1
139.05350	1.0
141.06979	9.6
142.07774	3.1
143.08531	2.7
144.05707	10.1
145.06467	5.9
146.03644	0.7
146.07239	4.0
147.04375	0.9
147.08031	0.9
151.06252	0.6
153.05685	0.6
153.06989	2.2
155.06017	2.0
156.05656	1.5
157.06493	9.3
158.07256	2.0
159.04356	1.2
159.08051	28.4
160.05128	1.5
160.08371	0.7
161.05991	2.8
161.09596	7.4
167.07034	2.0
169.06429	1.4
169.07686	2.5
170.07254	8.5
171.04373	1.3
171.08031	6.8
172.05203	2.7
173.05994	4.1
174.06664	2.6
175.07512	3.3
178.06201	0.7
181.06346	0.8
185.05974	1.1
186.06731	0.9
187.05891	1.1
187.07535	17.5
188.08252	1.8
189.05531	3.4
189.09102	8.9
190.06215	1.1
191.06992	2.0
193.08600	1.1
198.06717	3.3
199.07590	3.0
201.05487	1.6
203.07018	5.6
204.07816	14.2
205.08600	1.9
206.09315	1.3
216.07799	4.3
217.08665	1.1
218.09320	1.5
219.10071	2.6
221.08102	1.3
221.11658	2.6
231.10133	6.9
233.11787	2.3
234.08986	0.7
249.11209	100.0
250.11514	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	248.128
Annotation	Securitinine
Peak:m/z	Relative Intensity
53.66013	0.6
55.01863	2.1
57.03445	0.7
67.05497	1.7
69.07053	3.4
69.61741	1.2
69.62157	2.8
70.06583	0.7
72.08142	1.7
73.43502	0.6
77.03931	0.7
79.05481	3.4
80.05011	3.8
81.03403	0.7
82.38024	0.6
84.08138	2.5
86.09705	3.0
86.95367	0.6
91.05465	3.1
94.06554	7.2
95.07338	13.4
96.73404	0.6
97.05924	1.3
97.06518	16.0
103.05451	1.0
105.05823	0.7
105.07053	1.1
106.06530	3.6
107.04971	3.0
108.04462	2.6
109.02887	0.7
110.06062	0.6
110.07154	1.5
115.05463	0.8
117.06968	0.9
117.56493	0.6
118.06558	0.7
120.08101	5.9
121.06503	0.8
121.08481	0.7
122.06018	32.1
123.06808	21.4
129.07010	0.9
129.10182	0.8
130.06514	0.7
131.04907	1.5
131.08553	1.7
132.04410	1.9
132.08015	0.9
133.05199	1.6
133.06493	0.6
134.06024	6.6
135.04381	3.7
135.06769	0.9
136.07564	1.0
142.07707	0.6
145.06339	0.7
146.06027	1.5
148.07571	8.5
150.05492	29.8
151.06273	100.0
152.07088	5.9
156.07678	1.5
157.36182	0.7
158.09631	0.8
159.08037	1.7
160.07466	0.8
161.05972	0.7
162.05495	17.9
164.06912	0.7
174.09111	0.8
175.06207	1.9
175.07550	0.9
176.04449	0.6
176.07146	0.7
176.10693	2.4
176.84344	0.6
177.09010	0.8
178.04982	0.8
181.10075	0.5
186.09096	1.0
187.07547	1.5
190.82082	0.6
199.06099	0.8
199.88884	0.7
201.02962	0.7
203.10701	0.9
204.10190	27.6
212.90443	0.6
220.13301	1.5
230.11800	0.8
248.12804	86.6
249.13150	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	247.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.8
55.05502	23.2
57.03413	5.8
62.10690	4.7
65.03959	6.3
67.05502	38.6
69.03432	13.0
69.07082	39.6
70.06589	13.8
71.04997	11.3
72.08146	12.1
74.52923	5.6
79.05489	21.5
81.07059	60.8
82.16483	4.9
83.04974	5.7
83.08612	13.7
84.08145	32.6
85.06518	6.5
86.09721	8.4
91.05497	37.6
93.07058	32.7
95.04979	12.3
95.08613	79.9
97.06535	10.5
97.10166	15.8
97.34377	5.4
103.00559	5.8
105.07018	33.7
105.11540	5.9
107.04987	6.7
107.08584	19.1
109.06539	5.7
109.10162	35.7
111.08073	7.6
111.11723	13.0
114.29604	6.2
115.05453	16.1
117.07005	23.0
119.08593	24.9
120.08120	21.7
121.06495	9.7
121.10129	14.5
123.11711	6.8
126.12813	10.7
128.06218	5.3
129.07024	15.3
129.10191	4.7
131.04935	6.7
131.08572	18.8
133.10110	24.5
135.08020	12.3
135.11720	8.3
137.05977	9.4
141.07018	13.4
143.08598	9.2
145.06502	20.2
145.10136	15.3
147.04417	24.2
147.11642	12.2
149.13237	12.4
151.14842	25.4
157.06578	6.3
158.07253	6.9
159.08104	17.5
159.11681	13.1
161.05997	8.6
161.09589	6.2
164.07025	5.2
171.08038	9.0
173.05988	14.0
173.09651	11.7
173.13231	6.9
175.03925	100.0
175.14847	27.9
187.03954	5.3
187.07558	10.0
187.11160	6.1
187.14815	10.6
189.05463	13.5
191.07088	7.0
193.15848	15.8
199.07526	12.7
211.15076	5.1
211.16965	13.9
219.08237	7.8
229.08569	15.3
229.12177	11.3
229.15891	13.5
247.05899	12.9
247.09650	86.0
247.13452	20.8
247.16920	32.0
247.20609	11.9
247.24255	6.5
248.09773	8.8
248.12740	14.4
248.16493	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	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
50.04116	1.3
53.03929	3.4
53.22251	1.3
54.01089	1.4
55.01859	2.7
55.05504	12.0
56.96565	2.4
57.03418	5.1
57.07064	5.2
60.11454	1.4
64.39473	1.4
65.03921	1.7
67.05503	40.2
67.92802	1.3
69.07073	12.0
69.59110	1.2
70.52010	4.8
71.04984	2.8
73.23968	1.3
79.05081	2.1
79.05495	33.6
81.03392	1.8
81.07054	100.0
83.08610	2.5
85.06523	3.4
89.80953	1.3
91.05480	16.3
93.07049	24.2
95.04982	6.7
95.08604	22.1
95.61555	1.4
97.06525	1.8
97.10112	1.7
98.98466	3.2
99.08086	2.2
103.05434	1.8
104.10757	1.3
105.07029	12.6
107.04957	4.0
107.08595	17.2
109.05804	2.9
109.06509	32.8
109.10164	8.5
111.08025	1.7
117.07018	7.4
119.05058	1.4
119.08576	10.6
121.02863	1.5
121.06496	4.7
121.10123	21.3
121.10939	2.0
123.08062	3.3
123.11702	10.3
129.06952	2.6
131.08577	8.5
133.06493	1.6
133.10100	9.5
135.08029	6.8
135.11662	7.7
137.09624	4.2
145.10124	7.8
147.04404	3.9
147.11617	8.1
149.09569	2.5
149.13272	7.7
159.04419	1.6
159.11678	8.0
161.13268	5.3
163.11169	3.0
163.14795	3.7
165.12790	1.5
173.05951	1.5
173.13239	7.4
175.03909	25.9
175.14781	2.1
177.12772	2.2
179.14270	1.5
187.03876	2.6
187.14769	4.1
188.86369	1.6
189.16438	1.9
191.14383	1.8
201.16357	2.7
229.08556	4.3
229.19530	10.4
247.05945	3.2
247.09583	4.1
247.13399	1.5
247.16866	3.6
247.20564	56.4
247.24400	2.4
250.37471	1.4
250.97453	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57511	1.1
55.05514	10.8
56.05035	1.6
58.67837	1.1
62.44433	1.3
69.07063	1.2
69.78123	7.7
72.08154	88.4
75.17822	1.2
79.26235	1.1
84.04485	8.8
84.08105	2.4
86.09691	2.2
98.98438	2.4
102.05528	4.4
119.01877	1.3
130.04970	4.1
135.60397	1.3
135.91435	1.2
147.01353	1.3
148.06052	18.7
148.83318	1.3
167.03140	1.8
171.57458	1.2
175.03932	5.0
197.00722	1.4
229.03189	30.8
230.08392	1.2
247.04257	100.0
247.12827	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	247.1286
Annotation	Ile Asp
Peak:m/z	Relative Intensity
52.06908	0.3
55.05519	0.9
56.05027	1.3
67.05497	0.4
69.03423	0.3
69.07063	4.8
70.06580	0.8
70.81144	0.3
70.81490	0.7
72.07755	0.6
72.08145	7.8
73.08472	0.6
74.02425	0.4
79.05485	0.4
80.05029	0.3
80.96796	0.4
82.06570	0.7
83.06079	0.3
84.04501	3.0
84.08147	1.6
85.08488	0.4
86.09699	100.0
87.10041	1.6
88.03988	0.7
88.31995	0.3
93.07063	0.3
95.04967	0.5
96.04472	0.3
100.07616	0.3
102.05553	0.4
107.04974	0.5
110.06101	0.4
116.51650	0.3
118.08638	0.9
119.01926	0.4
120.08112	0.3
120.34188	0.4
122.06022	0.5
122.75439	0.3
123.04408	0.5
124.07573	0.4
127.40242	0.3
129.10272	0.4
130.04875	0.3
133.06125	0.6
134.04524	0.9
136.07498	0.4
139.03772	0.4
148.06010	0.7
149.42476	0.3
153.05505	0.4
164.06984	0.3
166.08713	0.4
168.06551	0.5
168.08925	0.3
176.07089	0.3
183.11247	1.6
206.10046	0.3
220.62025	0.3
229.11870	1.2
230.10210	0.5
247.12834	3.7
267.49438	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	247.1289
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
54.38826	0.6
55.01870	0.8
56.05018	3.2
61.01132	1.9
69.07063	12.6
70.02946	5.0
70.06577	3.3
70.84162	2.3
72.08157	1.5
73.02911	1.9
74.02445	0.7
75.25593	0.7
84.04511	1.1
84.08147	3.4
85.04024	4.0
86.09700	100.0
88.03988	58.1
88.26088	0.7
91.05466	1.5
96.04490	0.8
96.08123	1.9
97.06490	0.9
98.02435	4.3
99.00808	1.0
100.03974	2.0
104.05325	3.2
110.02399	14.8
113.10754	11.5
115.05064	0.9
116.07066	4.8
120.08123	1.5
124.03928	1.7
126.67144	0.7
132.10196	50.7
138.09142	2.5
141.10217	23.1
147.04439	1.4
155.11772	1.4
156.10213	5.2
159.08073	1.1
166.08638	18.0
169.09796	0.9
174.28748	0.7
175.03914	5.6
176.10715	2.6
183.11284	10.0
184.09692	4.0
187.07845	0.7
187.10776	13.9
201.12338	40.3
204.10191	3.7
212.09190	17.6
212.11098	1.4
229.11865	6.0
247.12862	9.9
247.14995	0.8
248.12915	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	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03928	4.8
55.01870	1.9
55.05502	7.3
57.07065	2.8
59.04971	1.4
65.03925	4.5
67.05504	7.0
68.99747	1.7
69.03429	22.5
69.07072	2.2
69.97026	2.9
69.97437	6.3
70.06556	1.6
79.05498	10.9
81.07063	11.1
83.04980	18.5
85.02847	2.0
86.09682	1.6
87.36108	1.4
91.05482	19.0
93.03391	4.3
93.07035	16.3
95.04963	7.2
95.08574	5.7
97.02877	8.4
97.06513	2.7
98.21474	2.4
98.98491	1.7
103.05517	1.7
105.07029	16.6
107.08582	18.3
109.02861	14.9
109.06521	11.4
109.10141	5.7
111.04436	6.3
111.08068	2.6
115.05455	4.6
116.06281	1.9
117.07028	12.9
119.08573	20.5
121.02834	7.2
121.06497	15.7
121.10126	7.4
121.37681	1.4
128.06206	4.1
129.06981	6.5
130.07727	1.9
131.04889	2.1
131.08557	20.3
132.05670	2.4
133.06444	2.5
133.10133	12.7
134.76796	1.4
135.04414	1.5
135.08041	29.3
135.11646	2.6
137.05968	4.9
137.09612	5.3
137.37923	1.5
139.03929	2.4
141.06966	2.4
142.07753	3.6
143.08568	12.9
144.09302	10.3
145.06487	12.9
145.10149	12.4
147.08017	6.2
149.05959	2.0
149.09602	25.1
149.13185	2.5
150.10321	5.1
151.07559	2.2
151.11172	4.2
153.07024	2.9
155.08516	6.3
157.06367	2.2
157.10121	5.4
158.10881	12.4
159.08096	15.7
159.11687	30.0
160.08833	4.7
161.09593	5.8
163.07538	23.4
163.11070	3.3
165.09126	3.1
167.08583	3.0
168.09357	3.3
169.10075	3.4
170.10876	5.9
171.08008	9.7
172.08827	19.7
173.09613	32.3
173.13254	35.8
175.03909	12.8
175.07504	2.7
181.06464	2.3
183.11642	11.8
185.13248	3.6
186.10408	23.1
187.07707	2.9
187.11171	100.0
189.09134	2.3
191.07030	43.8
191.10719	1.9
193.10068	2.5
196.08812	6.0
199.07509	2.4
201.12733	59.6
203.14241	3.3
204.99280	1.6
205.12134	8.1
211.11211	12.0
214.09872	5.0
217.08623	2.3
219.13725	5.5
229.08679	2.5
229.12234	67.2
229.15739	2.8
247.09486	4.0
247.13283	78.0
247.24168	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	245.186
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
56.05022	0.5
57.05799	0.5
58.06592	0.4
69.07066	11.7
69.87437	0.4
69.87846	0.8
70.06609	0.4
72.08147	0.3
84.08128	1.2
86.09702	100.0
87.10024	0.8
98.21443	0.3
106.43780	0.2
129.10251	0.5
132.10204	1.8
148.64304	0.2
154.77747	0.2
176.51419	0.2
199.17990	0.5
230.92648	0.2
245.18599	2.7
266.39777	0.2
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	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
55.05511	0.3
56.05032	0.4
69.07059	0.6
69.60027	0.8
69.60452	0.7
70.06593	0.9
71.04982	0.8
72.08155	0.7
73.73380	0.2
79.05462	0.2
80.05001	0.3
84.04513	0.2
84.08141	0.8
86.09700	100.0
87.10023	0.5
91.05459	0.2
98.20782	0.4
106.53870	0.2
116.30439	0.2
120.08076	0.3
129.10240	0.5
132.10191	3.7
142.03223	0.8
143.08565	0.2
145.10017	0.2
199.17987	1.1
245.18590	4.0
246.15111	0.2
247.69803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1447
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
55.01883	2.3
55.05494	7.6
55.49929	1.7
56.05029	8.3
57.54510	1.8
60.04535	2.0
60.05634	2.7
61.01140	4.3
65.54495	1.8
65.77278	1.8
67.05499	2.8
68.63500	1.7
69.07068	52.1
70.02948	14.7
70.06585	21.2
70.98260	2.8
70.98607	4.0
72.04546	2.4
72.07758	3.0
72.08150	42.9
73.02939	2.2
73.06543	3.6
74.02427	4.1
74.06072	5.5
75.05579	2.9
75.69501	1.7
79.05497	2.7
81.07043	2.2
82.06587	2.4
84.04507	12.7
84.08144	47.6
85.04035	16.5
85.08484	2.4
86.09703	100.0
87.05586	71.7
87.10024	2.0
88.03979	5.6
88.13441	1.8
88.47816	1.8
91.05458	5.2
93.07044	3.0
94.06554	2.2
96.08091	1.8
97.06506	5.5
97.07638	1.7
98.02425	19.0
100.07620	4.7
104.05293	3.8
106.06567	1.8
106.37800	1.8
107.04964	2.3
110.02396	70.3
110.06066	1.9
110.07190	2.8
112.08701	2.2
113.03481	2.1
113.10763	51.0
115.04961	2.1
116.07074	5.1
118.06466	2.3
120.08125	12.5
121.06488	7.1
124.03937	11.3
125.07889	2.3
126.05473	2.1
129.10243	14.8
130.08621	8.2
132.10196	20.0
134.62833	2.0
136.07544	3.1
138.09195	4.9
141.10220	87.7
141.11334	4.4
143.11810	31.2
147.11244	12.5
150.05505	3.1
155.11806	9.1
166.08640	72.1
168.02420	3.7
168.06596	2.7
169.09781	6.4
171.11287	6.7
172.07649	2.6
175.03906	4.7
175.11844	3.0
183.11238	9.4
187.10776	58.3
191.11809	5.1
199.10347	2.3
200.12134	3.9
200.13942	24.9
201.12390	2.4
202.10800	3.1
211.10777	7.2
212.09163	77.9
215.55917	2.2
218.69487	2.1
228.13478	4.1
229.11790	30.6
246.15327	8.0
246.18295	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	245.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05523	0.7
56.27134	0.4
57.19514	0.4
58.99840	0.6
61.62297	0.4
63.55730	0.4
69.03410	1.4
70.06574	1.0
71.50642	0.7
77.00886	1.0
81.07043	0.5
82.99822	1.0
83.08626	0.5
84.04487	0.9
84.07707	0.6
84.08140	7.3
86.78972	0.5
86.99344	0.6
97.02892	3.1
101.00882	7.4
103.00614	0.8
103.02434	0.6
105.00377	0.6
113.00879	0.9
115.02449	0.6
119.01920	36.7
120.02038	1.5
121.01668	6.4
121.03547	0.5
127.02388	0.4
127.03896	0.4
129.10211	1.6
129.87718	0.4
131.01898	6.7
131.05493	0.5
133.03452	1.9
136.99634	0.7
137.02951	12.1
138.03000	1.1
139.02690	2.7
141.28070	0.4
142.03487	1.5
143.01888	9.8
145.03467	6.3
147.01369	1.5
147.04993	0.7
149.02957	0.8
149.06534	1.0
155.00722	0.9
155.01872	3.1
157.02438	0.6
157.03484	6.1
160.04541	0.8
160.99634	1.0
161.02954	37.2
162.03053	0.6
163.04504	2.0
169.03401	0.8
171.04945	0.6
173.02966	6.1
175.04541	5.7
177.00919	2.1
177.02679	0.5
178.01065	2.5
179.00700	24.6
179.03935	2.4
180.00827	1.0
183.56761	0.5
184.04578	2.5
185.02943	7.3
185.04430	0.8
187.04514	2.5
189.06058	0.7
191.03952	1.7
195.03844	0.9
197.02971	3.8
199.04518	0.9
202.02344	0.9
203.00772	1.3
203.03944	7.6
203.11293	0.6
208.13699	0.5
215.03969	2.5
217.05521	1.3
219.01967	1.0
219.03806	3.9
220.02046	2.0
221.01765	31.5
221.05185	1.8
222.02071	2.6
226.05634	0.5
227.00566	2.2
227.04015	1.0
233.05035	0.9
244.03448	1.4
245.01852	5.7
245.05049	24.6
245.12192	3.2
245.14911	0.5
246.05525	0.8
263.02866	100.0
263.06036	4.9
264.03003	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	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01872	0.3
55.05508	0.9
55.82659	0.2
56.05036	1.7
56.96540	0.3
57.03438	0.2
58.06608	0.4
60.04536	1.0
60.05636	0.3
61.01146	0.2
67.05498	0.7
68.05032	0.3
69.07060	2.1
69.77227	1.3
70.06591	4.7
71.04996	0.2
71.06926	0.2
72.08163	2.9
74.06076	1.4
75.06406	0.2
79.05499	0.6
80.05028	0.2
81.03449	0.4
81.07041	0.5
84.04513	2.0
84.07638	0.5
84.08144	7.9
84.16347	0.2
85.02899	0.4
85.08499	0.4
85.98848	0.2
86.09706	100.0
87.05624	0.2
87.10027	1.2
88.03996	0.7
91.05480	1.1
93.07046	0.5
95.04973	0.3
95.08593	0.4
97.06605	0.3
101.10767	0.3
102.05568	0.4
103.05512	0.3
105.07031	0.8
107.04981	0.5
107.08625	0.5
110.07157	1.8
112.08754	0.4
116.07088	0.4
117.07003	0.9
117.49812	0.2
119.08613	0.5
120.08104	1.4
121.06537	0.5
121.10147	0.4
128.06238	0.4
129.07042	1.0
129.10243	3.8
130.06569	0.4
130.08664	0.9
130.10626	0.4
131.08589	0.8
132.10208	3.8
133.06503	0.4
133.10172	0.3
135.08067	0.3
137.05963	0.4
142.03201	0.5
143.08540	0.6
144.06435	0.2
147.08078	0.9
147.11362	0.7
156.07663	1.0
157.06473	0.3
157.10075	0.5
158.05994	0.3
171.08026	0.4
171.11688	0.2
173.12904	0.9
183.11670	0.3
185.09596	0.3
185.13249	1.2
199.08894	0.3
199.14621	0.4
199.18028	2.5
201.12456	0.6
227.08617	0.4
227.12070	0.3
227.14279	0.5
228.10239	0.3
245.04330	1.1
245.08163	0.7
245.13359	0.4
245.15450	2.1
245.18687	3.6
246.04889	0.2
246.15045	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	245.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03920	4.6
55.05504	5.8
56.05033	8.5
60.04512	4.1
62.01704	3.5
66.33903	3.5
68.05035	3.8
69.07063	4.8
70.06587	100.0
70.91759	4.2
70.92083	6.2
71.06922	7.0
72.08163	23.4
79.59238	3.9
84.04496	23.4
84.08144	57.4
85.08484	5.5
86.06045	20.0
86.09705	22.7
88.03950	3.8
94.93011	19.6
104.10737	5.6
104.89276	3.5
112.05077	26.3
113.04748	3.9
113.05460	21.9
116.07083	5.6
129.10236	16.6
132.06578	7.8
140.07057	3.3
147.05048	4.1
147.11313	6.0
161.03023	4.1
218.92264	15.4
244.16695	4.5
244.90094	8.7
245.08212	7.7
245.11316	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	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23747	0.3
56.05036	3.7
56.96554	0.4
69.07078	1.1
70.06580	2.3
70.79682	1.0
72.08146	2.3
76.80308	0.4
76.88997	0.3
77.41151	0.4
84.04501	81.9
84.08139	2.5
85.04836	0.6
86.09701	100.0
87.10034	0.8
91.05475	0.8
95.04873	0.3
96.04462	0.6
106.04244	0.3
107.04952	0.4
110.06020	0.4
110.07114	0.6
113.07082	1.2
117.55974	0.3
129.06604	3.8
129.10217	0.8
132.10194	39.0
137.05963	0.4
141.06569	4.1
152.10696	0.8
155.08131	0.4
163.97679	0.3
164.88116	0.3
191.85503	0.3
197.12843	34.9
215.13803	0.4
225.12242	1.5
225.14441	0.3
239.48085	0.4
243.06424	0.7
243.10275	0.9
243.13440	7.5
243.17911	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	244.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.3
64.66708	1.1
69.96046	5.4
70.06591	12.6
72.08153	8.1
74.02433	6.4
82.15083	0.9
84.04489	3.3
84.08137	13.2
85.08470	1.0
86.09689	8.6
113.90525	0.9
115.05379	1.0
117.05756	19.3
129.06982	6.3
129.10237	4.0
130.06522	46.8
130.08600	1.7
131.07326	7.3
142.06502	1.4
143.07300	18.9
143.09090	1.1
144.08073	14.8
147.11304	1.0
154.06500	18.6
155.06027	10.5
155.07178	1.9
156.08076	25.1
156.16701	1.1
157.07599	21.2
158.06033	10.0
158.08405	10.2
166.06552	2.6
167.07320	1.5
169.05240	6.1
169.07637	3.9
171.07741	2.0
171.09171	30.0
181.07608	29.8
182.06071	5.3
182.08348	3.3
183.09183	14.6
185.07100	75.2
186.07571	1.4
198.10262	26.2
199.08725	1.6
200.07031	2.4
209.07083	14.7
227.08148	100.0
228.08493	2.5
244.10930	16.9
244.16551	2.1
246.35304	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	242.9901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76844	27.7
70.69854	72.9
84.08128	31.7
125.81093	28.3
142.16231	28.4
145.03448	61.8
171.04958	31.6
183.53389	30.1
191.95177	30.8
225.06888	76.3
225.09520	29.4
242.98994	100.0
243.15889	31.2
246.10516	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	242.99
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16618	10.7
55.01898	10.0
55.93525	24.1
64.64813	11.7
67.05493	13.3
69.07034	14.2
70.06586	42.9
70.69556	20.7
70.69930	25.4
72.08138	17.7
72.93772	37.1
74.06070	10.1
79.05487	15.5
81.07034	16.3
83.06108	26.2
84.04482	67.4
84.08122	59.0
86.09702	100.0
87.82039	9.9
87.82591	11.6
89.94045	13.5
90.94824	31.3
91.05466	19.8
99.04394	10.5
107.08549	14.7
109.80016	12.2
110.07143	61.5
111.50017	10.8
112.05061	30.1
116.07031	10.8
119.01835	14.4
119.08534	15.1
125.96156	18.4
129.10252	24.1
131.01755	13.0
132.10175	21.9
140.07059	11.5
145.03484	30.1
149.96045	18.4
150.96948	10.5
156.07640	25.1
171.05061	16.0
191.97108	20.9
197.12863	30.0
215.14258	12.1
219.96637	16.3
225.06961	35.4
242.99028	46.9
243.13588	21.4
243.15883	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25806	0.1
50.54684	0.1
56.05046	0.2
60.04531	0.2
65.10999	0.2
67.05531	0.2
70.06615	0.2
71.21294	0.3
71.21635	0.2
71.26794	0.1
81.03458	0.1
81.07071	0.1
82.99880	0.3
84.04529	0.2
84.08155	0.7
84.26946	0.1
91.05460	0.1
95.08639	0.2
98.97618	0.2
101.00873	2.0
105.07068	0.2
110.07167	0.3
116.98675	0.2
119.01918	14.2
120.02016	0.2
120.52949	0.2
129.10216	0.2
129.89595	0.1
134.99835	0.7
137.02953	5.8
140.98810	0.3
142.03494	0.6
153.00914	0.6
156.97472	0.2
158.99841	1.1
160.04561	0.3
165.99648	0.3
174.98558	0.3
175.03043	0.3
176.02516	0.2
177.00949	27.3
178.01073	1.8
179.00894	0.2
179.99091	0.2
182.99875	0.3
193.03998	0.7
193.22023	0.2
195.02011	0.5
197.00591	0.3
197.02933	0.2
198.00223	0.2
200.02431	0.8
201.00935	1.6
201.02402	0.3
202.00890	0.3
208.53621	0.2
214.95670	0.2
215.01633	0.4
217.04088	3.7
218.03519	0.8
219.01997	33.3
219.94473	0.4
220.02097	4.4
221.01810	1.1
225.00833	2.3
225.02773	0.1
227.99623	0.2
236.95670	0.2
237.95502	0.4
237.98807	0.2
238.05627	0.2
242.03578	1.4
242.96216	0.4
243.01898	7.2
243.05969	0.3
243.10054	0.2
243.13728	0.1
243.21045	0.2
244.02040	0.2
260.04691	0.2
261.03049	100.0
262.03180	4.0
263.03452	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	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03918	0.2
55.01865	0.2
55.05492	0.3
56.05021	0.3
56.76184	0.2
58.06597	15.8
60.04524	0.3
60.15987	0.2
65.99043	0.2
67.05490	0.4
68.05022	0.2
69.03392	0.2
69.91364	1.0
70.06591	3.6
72.08139	0.9
74.05190	0.2
74.06059	0.3
81.03382	0.5
83.04975	0.2
84.04496	0.8
84.08138	9.1
86.09686	0.4
91.05477	0.4
93.03727	0.3
94.06549	0.2
96.04470	0.3
96.08103	0.2
98.06030	0.3
98.09681	1.4
100.11226	0.5
106.06522	0.2
108.04414	0.2
110.07181	1.0
112.07549	0.2
112.22012	0.2
114.05495	0.4
116.07079	0.4
116.10754	0.2
117.06953	0.2
119.04938	0.4
120.08087	0.6
123.04419	0.4
124.07590	0.3
126.05505	0.4
126.09134	0.4
128.10703	3.7
129.10204	0.5
134.06036	0.5
135.04388	0.2
136.07579	0.6
137.05870	1.2
138.05460	0.4
144.10155	1.2
146.05997	0.3
147.04366	0.2
150.05460	0.2
152.04594	0.2
152.07051	0.3
152.10693	0.2
153.05446	0.3
154.08589	0.5
162.05508	0.2
164.07060	0.5
165.05453	0.3
168.10222	1.1
174.05421	0.3
176.07082	0.5
183.08783	0.2
194.08109	0.2
196.09694	5.1
213.15839	0.5
223.10774	0.7
224.03732	0.4
226.06102	0.3
241.15456	100.0
242.04826	0.2
242.15784	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	242.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20635	0.7
55.01849	1.1
55.05499	1.0
56.05021	0.8
56.96568	0.8
57.04562	1.7
59.01373	1.2
68.05035	4.4
69.00881	1.0
69.03427	1.4
69.04237	0.7
70.06596	4.3
70.30888	3.2
72.08145	3.0
78.03484	0.7
79.04242	4.2
80.05038	4.2
81.03419	1.4
82.06556	0.8
83.06090	1.4
84.04493	1.7
84.08142	5.1
86.09709	5.9
91.05455	1.0
92.04967	0.8
93.04527	1.8
94.06530	1.3
95.04940	1.1
96.04494	6.8
97.05264	3.3
98.06020	1.0
98.97591	4.5
107.06059	0.9
108.04488	1.3
109.05294	1.1
110.07150	2.7
112.08719	0.8
115.17072	0.7
116.98620	2.2
119.04827	4.9
120.05560	3.7
121.03989	1.9
121.06522	1.2
122.05995	1.5
123.04453	1.0
124.03954	4.2
125.04706	4.2
129.10231	6.2
133.06375	1.0
133.91876	0.8
134.03244	1.2
134.04800	0.9
134.07117	6.6
134.99728	1.2
135.05510	1.5
135.07933	1.3
136.05069	18.8
137.05861	5.2
138.02933	0.8
139.04974	0.8
142.34531	0.9
146.03496	6.9
147.04277	40.3
148.05052	13.2
149.05971	0.8
157.04794	1.1
158.99675	1.9
159.04259	0.9
160.05063	54.1
162.02950	1.7
162.06609	2.9
164.04553	42.0
165.05273	2.2
168.07745	4.2
169.08540	2.0
174.03006	6.5
175.03772	54.4
176.04559	24.5
176.06079	1.4
177.00673	1.7
177.04861	0.8
178.06166	4.6
179.06908	4.9
180.07710	5.0
182.05667	0.9
191.06883	2.7
192.04060	7.9
192.07677	85.8
193.08055	1.5
196.07173	35.2
197.07915	3.4
205.60149	0.8
206.05569	2.3
207.06392	100.0
208.07175	19.7
224.06650	5.1
225.07480	6.1
237.75307	0.9
242.07735	14.0
247.24399	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	241.1433
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.05500	20.8
56.96563	12.5
67.05501	18.7
69.03429	14.8
69.07069	9.4
69.89814	13.2
69.90222	28.8
70.06592	9.4
71.05009	7.4
71.08631	5.5
72.08165	8.7
79.05477	15.3
80.36906	5.3
81.07046	23.4
83.04989	21.8
83.08607	6.8
84.08145	10.3
85.02885	5.1
86.09708	15.4
91.05476	14.7
93.03697	10.9
93.07027	75.0
95.04967	10.8
95.08620	37.6
96.89344	6.5
97.02895	8.6
98.20693	5.7
98.97585	42.1
99.04491	7.0
99.08086	13.0
105.07011	13.0
107.04948	7.1
107.08600	38.1
109.06503	10.7
109.10163	15.3
110.07190	7.7
110.30820	5.1
111.08085	20.5
116.98637	21.4
119.08597	22.8
120.08086	9.4
121.06509	12.5
121.10155	22.9
123.08104	15.2
125.05991	13.4
128.02335	12.7
133.10202	8.2
135.08052	14.9
135.11678	46.7
137.02838	8.7
137.09618	100.0
140.74881	5.1
145.10077	7.5
149.09633	8.1
149.13289	18.4
158.99670	15.3
159.11720	24.9
163.07526	7.7
163.11203	15.2
167.07138	8.6
171.11746	5.5
177.00667	16.6
177.12738	80.3
179.14272	6.4
181.08664	11.7
195.13757	69.9
202.04887	5.7
205.12271	17.5
221.07504	8.6
223.13277	27.7
230.08020	14.0
241.08618	14.9
241.19696	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	239.2368
Annotation	Bombykol
Peak:m/z	Relative Intensity
51.75471	1.0
53.03945	1.4
55.05507	23.8
57.07072	100.0
58.07410	1.5
65.03932	1.5
67.05501	51.5
69.07063	27.2
71.04985	2.6
71.08627	63.2
72.04514	5.5
73.04843	1.8
79.05479	6.1
81.07053	59.6
83.08615	30.6
85.06532	4.8
85.09666	1.4
85.10180	27.0
88.02206	3.3
89.06026	4.7
91.05479	1.5
93.07045	4.0
95.08601	76.3
97.10166	14.2
98.21613	1.3
99.08097	2.1
99.11736	1.5
107.08553	1.3
109.10149	24.3
111.11740	2.5
121.10144	1.2
123.11696	8.6
137.13208	2.3
157.10184	1.4
169.10101	1.8
175.67705	1.2
183.06677	1.3
183.11632	2.5
197.82935	1.2
220.00870	1.2
239.08971	1.7
239.12796	2.2
239.18069	5.6
239.23795	1.9
240.23125	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	240.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27549	0.4
51.32885	0.4
51.44885	0.3
55.05512	0.6
60.90512	0.4
61.02927	12.9
62.36269	0.4
64.35606	0.3
65.03931	2.3
67.05486	0.4
69.07057	0.5
70.06611	1.1
70.65023	0.9
71.01354	11.2
72.08148	0.8
74.74953	0.4
79.05507	0.8
80.05022	0.7
81.07069	0.6
84.08146	1.3
86.09738	0.6
91.05489	1.2
92.05003	5.3
93.03402	1.1
93.74948	0.3
97.87017	0.3
99.04478	0.4
100.11256	0.5
103.03944	21.7
105.07008	0.5
105.07694	0.4
106.06543	0.6
108.04501	1.1
110.06039	100.0
111.04431	2.3
111.06379	0.6
113.02371	1.2
116.05013	0.9
120.04451	4.2
120.08136	0.9
126.60992	0.4
129.10268	0.6
134.06021	0.9
136.03949	2.8
137.05978	0.5
144.04446	16.6
148.03911	0.6
162.05502	1.8
172.03937	59.3
173.04332	0.6
180.06633	2.9
190.04990	26.4
204.06580	1.2
208.06055	28.8
209.06389	0.5
215.85516	0.5
222.07608	0.9
240.08435	2.8
240.10751	0.7
241.08629	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	240.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
57.03425	0.6
61.02927	13.5
65.03931	2.0
66.99968	0.5
67.05521	0.9
68.70882	0.6
69.07056	2.3
69.22991	1.2
69.23404	4.4
70.06591	4.2
71.01350	12.2
72.08138	1.4
79.05489	1.0
80.05032	0.8
81.07050	1.3
84.08143	4.5
85.02898	0.8
86.09708	3.9
91.05486	1.3
92.05001	4.9
93.03436	1.3
93.07034	0.7
94.06571	0.7
97.02904	0.8
97.33003	0.5
98.97604	1.5
103.03944	25.7
106.06577	0.5
107.08603	0.5
108.04472	1.7
110.06039	100.0
110.07240	2.5
111.04443	2.1
113.02365	2.4
116.04991	1.0
116.07083	0.8
116.98629	0.9
120.04465	4.6
120.07388	0.6
120.08123	3.4
122.07056	0.6
124.07616	0.8
128.98584	0.9
129.10248	2.9
131.03358	0.7
132.95139	0.5
134.06020	1.1
134.99646	0.7
136.03909	3.6
137.05920	0.9
144.04436	15.5
146.99696	0.9
148.03928	0.7
156.91805	0.5
162.05487	2.7
166.12202	0.7
172.03935	53.3
173.04214	0.8
176.03371	1.6
177.00719	0.8
180.06523	3.7
185.03999	1.9
187.76109	0.5
190.04991	22.2
196.16968	16.7
196.18808	1.1
196.54721	0.6
208.06033	25.9
219.85674	0.5
225.05542	0.7
240.06554	1.2
240.08743	2.6
240.10612	1.0
240.19601	7.0
249.02919	0.7
251.15099	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	238.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
51.70493	0.1
53.03946	3.9
55.01849	0.2
58.44847	0.2
69.07052	0.2
70.02941	0.6
70.19221	0.4
70.19615	0.5
74.02443	1.1
77.03902	0.9
79.05478	0.9
81.03420	0.4
84.08157	0.3
88.03984	7.2
94.69595	0.2
95.04962	6.4
105.03387	100.0
105.15375	0.2
106.03715	0.8
116.03442	2.3
120.08094	0.2
122.06022	0.6
123.04422	1.8
138.29695	0.2
148.14740	0.2
192.06531	1.2
220.06053	1.8
238.06950	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	239.164
Annotation	Penihydrone
Peak:m/z	Relative Intensity
53.03938	1.9
54.96874	0.8
55.01872	12.5
55.05511	35.3
56.05863	0.7
57.07064	3.2
57.07325	0.7
65.03926	1.5
67.05502	14.6
69.03397	1.4
69.07062	10.6
70.06578	1.0
71.05000	3.8
71.05322	0.7
71.51460	1.0
79.05494	15.3
81.03390	1.0
81.07053	49.3
83.04985	4.1
83.08617	51.6
84.08126	0.9
85.02910	0.8
85.06543	4.5
89.06020	2.2
91.05482	8.7
93.07040	9.3
95.04977	6.9
95.08608	10.6
97.06519	3.3
99.04447	1.9
99.08022	1.0
105.03361	0.9
105.07026	8.2
107.04930	1.0
107.08598	4.7
108.04461	0.8
109.06514	100.0
109.10139	4.7
111.04413	1.6
111.08083	22.3
113.05996	0.8
119.04939	1.6
119.08578	6.4
121.06503	2.2
121.10166	3.8
123.08047	2.2
123.11706	1.0
125.09626	1.0
127.07567	3.6
129.07018	1.9
131.08548	1.3
133.06491	0.9
133.10107	3.2
135.08032	2.8
135.11604	1.0
137.05974	54.8
137.09584	1.8
139.07555	1.8
139.11185	4.5
141.06956	0.8
143.08574	1.8
145.10146	0.9
147.08072	3.8
147.11720	1.6
151.07524	1.3
153.09019	1.3
155.08554	1.3
157.10117	2.1
159.11623	2.3
161.13252	5.3
165.09100	8.1
169.10152	0.9
175.14781	3.7
179.10608	1.0
185.13243	8.5
193.15840	3.3
196.25348	0.8
197.13261	0.9
203.14285	6.1
204.55293	0.7
209.04506	1.4
221.15367	16.2
224.06845	1.1
239.08951	3.2
239.16245	7.8
239.23613	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	238.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
50.96140	0.2
51.02380	0.7
53.03712	0.3
53.03945	3.9
55.01865	0.3
55.74387	0.2
69.07049	0.2
70.02946	0.7
71.44626	0.4
72.08167	0.5
73.27779	0.2
74.02437	1.1
77.03887	1.1
79.05497	0.8
81.03410	0.5
84.08144	0.7
86.09712	0.7
88.03989	7.2
95.04967	6.3
95.05576	0.3
105.03388	100.0
106.03700	0.6
116.03444	2.4
117.03373	0.4
120.08131	0.3
122.06037	0.3
123.04412	1.6
129.10246	0.6
145.02841	0.8
163.03868	0.4
177.05470	1.1
182.46936	0.2
191.03310	0.4
192.06554	1.1
196.97978	0.2
206.05630	0.7
220.06036	1.9
238.07037	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	237.1233
Annotation	Phe Ala
Peak:m/z	Relative Intensity
53.03912	0.2
55.05496	0.9
56.05017	0.5
56.96552	0.2
57.07066	0.6
60.04510	0.4
61.98196	0.2
67.05494	0.8
68.05018	0.3
69.03427	0.3
69.04491	0.2
69.07066	1.0
69.82623	1.0
69.83037	0.5
70.06247	0.2
70.06581	2.3
71.04985	0.4
72.08146	2.3
74.64433	0.2
77.03880	0.2
79.05491	1.2
79.96642	0.2
80.04989	0.2
81.03410	0.3
81.07037	0.8
83.04983	0.5
83.06110	0.2
83.08591	0.4
84.04497	1.6
84.08139	3.3
86.09702	1.8
88.03958	0.2
90.05542	0.4
90.58454	0.2
91.05467	1.8
93.07039	2.3
94.06576	0.3
95.04939	0.5
95.08586	0.7
97.06517	0.4
97.10195	0.2
98.20794	0.3
102.04653	0.2
103.05458	6.7
105.07032	0.4
107.04939	0.6
107.08575	0.5
109.10113	0.5
110.07137	0.4
111.08144	0.2
112.04799	0.2
112.08705	0.3
117.07056	0.3
118.06538	0.5
119.04950	0.3
119.08522	0.2
120.08095	100.0
121.06539	0.2
121.08446	0.9
121.10114	0.3
125.09690	0.4
126.63663	0.2
129.07018	0.2
129.10251	1.3
130.04985	0.4
130.08597	0.3
131.04878	0.3
131.08620	0.2
132.04399	0.3
134.09694	0.2
135.04416	0.5
135.08064	0.3
135.09972	0.3
135.11736	0.3
136.07571	0.7
137.05968	0.5
145.10120	0.3
146.06017	1.9
147.08000	0.3
147.11298	0.3
148.03954	0.3
149.05965	0.2
149.13252	0.2
150.05473	0.4
163.03880	0.5
164.07077	0.6
172.95287	0.2
174.05536	0.4
175.07616	0.3
185.58458	0.2
191.10585	0.4
192.06586	0.9
219.10210	0.3
220.09593	0.4
237.09453	0.3
237.12366	2.2
237.14661	0.4
237.16760	2.5
237.22014	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	237.1119
Annotation	Stachyline B
Peak:m/z	Relative Intensity
53.03934	9.2
55.01863	9.3
55.05516	18.3
56.05027	4.8
57.03419	6.2
57.07061	8.4
59.04980	9.7
59.57869	2.3
60.04516	3.5
60.05621	3.8
63.33255	1.9
63.98176	2.0
65.03932	4.9
67.05500	33.8
68.05024	2.7
69.03400	11.1
69.07066	18.4
70.02926	2.2
70.06586	20.3
71.04978	19.8
71.06147	3.9
72.08154	29.2
77.00781	2.0
77.03902	4.3
79.05488	100.0
81.03413	5.1
81.06597	4.4
81.07050	62.4
82.06550	2.1
83.04977	42.3
83.08597	6.8
84.04494	5.4
84.08140	38.9
85.06523	9.5
86.09703	59.4
87.04456	2.9
88.02187	4.9
88.03967	2.6
91.05473	39.7
91.94251	2.4
93.07040	32.4
95.04956	22.9
95.06100	2.1
95.08604	20.6
97.06519	23.8
99.04447	3.2
103.05453	5.9
104.07111	2.3
105.03394	34.3
105.04475	4.4
105.07026	59.5
107.04944	62.3
107.08589	25.1
109.06508	40.6
109.10139	7.3
110.07162	11.3
111.04411	5.1
111.08094	3.4
112.08685	6.0
113.05988	3.6
115.05488	2.9
115.08704	2.8
116.05312	2.7
117.03388	3.9
117.07023	10.3
118.06499	4.0
119.04929	4.5
119.06061	2.2
119.08597	18.0
120.08092	12.8
121.02874	3.8
121.06501	37.4
121.10136	26.6
123.04430	5.0
123.08060	31.9
123.11675	3.8
125.05990	15.7
125.09607	3.7
129.06998	4.7
129.10236	17.1
130.06523	2.7
130.07759	5.0
131.04898	5.6
131.08571	23.8
133.06487	38.2
133.10092	11.0
135.04407	75.1
135.08040	23.4
135.11662	8.6
137.05983	17.3
137.09608	6.4
141.06976	2.8
144.10191	4.9
145.02814	8.0
145.06409	4.1
145.10121	25.1
147.08014	8.4
147.11546	7.3
148.05165	4.2
149.05988	11.2
149.09605	48.6
149.13205	2.3
151.03941	10.5
151.07463	5.8
151.11134	2.6
153.05453	23.0
153.09084	5.9
155.08508	2.8
157.10141	4.0
158.07256	4.0
159.08035	20.3
159.11696	4.5
160.05058	6.2
161.05957	39.3
161.12932	4.1
162.06702	3.2
163.03874	7.3
163.07437	3.8
163.11134	17.1
167.07098	2.6
170.06032	3.0
173.09578	9.2
173.13177	6.9
175.07507	3.8
175.11046	10.3
175.14795	2.3
177.05478	18.8
177.09091	61.2
177.12671	3.2
178.05959	2.6
179.07037	31.4
181.04947	4.0
183.11641	5.4
191.10660	79.6
191.14299	4.1
192.06514	10.1
193.08664	15.6
194.09447	2.6
195.10172	8.4
201.09129	6.7
201.12666	6.6
206.08154	4.6
209.11746	7.6
211.11932	3.6
219.10144	39.6
219.13741	9.8
220.04529	3.7
235.09645	3.2
237.03703	2.9
237.07423	4.1
237.11201	75.8
237.14871	25.9
237.17184	2.5
237.18401	5.0
237.22101	11.4
253.16585	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	236.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
57.03442	0.7
57.07083	1.8
67.05518	0.9
69.07074	0.7
69.76809	3.0
70.06596	1.3
71.08667	0.5
72.08149	1.4
79.05503	0.7
81.07066	1.5
82.02631	0.5
84.08152	1.5
86.09699	1.4
86.68462	0.4
91.05476	2.5
93.07047	1.2
95.08606	0.9
97.06503	0.6
98.21446	0.9
103.05464	12.6
105.07042	0.9
107.04961	0.8
107.08597	0.7
109.06484	0.6
115.05444	1.1
117.07011	11.1
119.04933	0.7
120.08115	1.1
121.06503	1.3
123.04430	5.2
128.86026	0.5
129.06999	0.8
129.10260	0.9
130.04112	0.6
131.04926	38.9
131.08565	2.9
132.05232	0.8
133.06506	0.5
135.04449	0.7
135.08069	0.6
135.98341	0.5
137.05963	8.0
137.06944	0.7
144.05659	1.0
145.06476	21.6
148.05183	0.5
149.05975	100.0
150.06317	1.1
151.07550	1.2
156.66975	0.4
159.08046	4.0
161.05937	0.5
162.06732	1.8
163.07536	33.7
164.07990	0.6
177.09041	3.1
179.10646	0.5
180.11009	0.8
192.06528	0.7
194.04572	1.0
201.12698	1.3
219.13792	50.4
220.14104	1.8
236.05627	0.7
236.09222	1.2
236.16438	53.1
237.16815	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	237.0869
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
53.38117	0.4
55.05505	0.9
62.70842	0.4
65.03941	0.4
67.05496	0.4
68.05019	0.5
69.07048	0.8
70.06586	1.3
70.91181	1.0
72.08147	2.0
74.02435	3.1
75.03226	0.8
79.05486	0.5
79.92773	0.4
80.04999	0.7
81.07049	0.9
81.69868	0.4
83.08584	0.6
84.04511	0.5
84.08131	1.4
86.09706	1.9
91.05489	2.2
92.04996	0.8
93.07037	0.6
94.06559	1.8
95.04952	0.5
95.08615	0.5
103.05470	0.7
104.04971	0.6
105.07008	0.5
107.08537	0.5
108.04480	0.8
108.08136	0.5
110.06030	1.6
110.07185	0.6
117.05767	0.8
118.06538	7.7
120.04490	2.3
120.08094	8.0
121.07593	0.5
121.10260	0.4
122.06034	0.9
128.04958	5.1
129.10234	1.2
130.06519	11.3
131.04973	0.7
131.05902	0.4
131.07286	0.8
132.04468	1.6
132.08061	0.5
133.05217	1.4
136.07559	3.5
144.08084	0.4
145.07599	1.2
146.06001	100.0
147.06392	1.8
148.03925	12.7
148.07465	0.6
150.05472	0.9
156.04440	0.6
157.07605	10.6
158.06029	0.8
159.09209	2.6
160.03979	0.4
162.05399	0.6
163.05841	0.9
164.07037	1.5
166.08603	3.8
173.07108	3.6
174.05502	13.4
174.07829	0.7
175.08667	0.5
176.07021	0.7
178.04948	2.2
181.33461	0.4
191.08156	15.7
192.06593	1.7
192.08321	0.4
196.31340	0.4
202.04944	1.5
203.08156	8.3
203.09908	0.7
204.08931	1.1
209.09245	0.6
219.07762	0.9
219.20975	0.4
220.06044	2.6
237.08728	8.1
237.12387	0.6
237.15092	0.7
237.22104	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	235.1328
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03940	3.3
53.78150	0.8
55.01866	2.6
55.05518	4.6
55.78739	0.7
56.16277	0.8
57.03430	1.1
57.07076	11.2
60.04517	1.5
60.63007	0.7
62.36263	0.7
65.03940	1.3
67.05175	1.0
67.05504	10.0
69.03420	3.5
69.07066	4.6
69.48017	6.7
70.06596	1.1
71.01363	0.7
71.04982	3.5
77.03917	0.8
79.05491	24.3
81.03412	1.9
81.07055	41.2
81.98790	0.7
83.04984	5.7
84.04520	0.9
84.81966	0.9
85.06532	2.3
88.03974	0.7
91.04910	1.2
91.05478	23.7
93.07042	42.3
94.07352	0.9
95.04966	11.9
95.08604	8.2
97.06531	10.8
98.20814	1.7
98.97614	1.1
99.04462	3.8
103.05450	2.4
105.04501	1.1
105.07029	23.3
105.07697	1.6
107.04961	9.8
107.08589	10.0
109.06519	25.0
109.10146	1.9
111.04433	1.4
111.08076	1.1
115.05486	2.5
116.98669	1.1
117.07015	5.3
119.04942	2.4
119.08584	14.1
120.08096	11.0
121.06504	100.0
123.04430	7.9
123.08073	3.0
125.05981	3.1
127.07573	9.4
128.06215	3.5
129.07001	7.8
129.10292	1.0
130.06508	1.7
131.04976	1.3
131.08582	6.1
133.06491	7.4
133.10126	5.8
133.31535	0.9
135.04408	12.5
135.08064	7.7
135.11681	0.9
137.05989	6.8
139.07553	4.6
139.08495	0.8
141.06909	1.4
142.07751	5.6
143.07071	0.8
143.07443	1.2
143.08551	9.8
144.08060	1.7
145.06509	2.5
145.10121	6.4
147.04420	0.9
147.08041	6.2
147.11690	11.4
149.05981	1.8
149.09637	1.6
149.13336	0.9
151.07584	1.6
155.08549	2.1
156.09357	4.8
157.06506	1.4
157.10130	15.4
158.07321	1.0
159.08009	1.6
159.11684	1.4
160.08841	1.8
161.06015	4.5
161.09599	2.2
161.13255	4.0
162.09056	1.2
165.07008	1.6
165.12729	1.0
166.07822	3.1
171.11682	16.0
173.09656	1.5
173.13318	2.1
174.06659	1.2
175.07559	3.5
175.11186	26.7
175.14777	1.2
177.09152	6.1
179.10652	5.6
181.10121	5.6
184.08853	2.6
189.12729	21.2
191.10646	1.1
191.13937	0.7
193.12253	1.3
199.11197	24.6
199.17943	0.8
203.10733	3.4
207.11548	1.0
207.13799	0.8
217.12231	40.4
235.13313	29.8
235.16971	24.0
235.20570	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	234.1811
Annotation	Hypusine
Peak:m/z	Relative Intensity
54.38170	0.8
55.05508	2.2
56.05016	1.9
57.07061	2.7
58.06599	10.2
59.05002	1.9
60.04507	1.7
67.05500	1.9
68.04999	1.3
70.06591	40.6
70.83237	1.3
70.83580	1.9
72.08153	88.2
73.06523	1.4
84.08142	85.0
85.06506	1.9
86.06058	2.4
86.09695	1.4
88.07628	55.3
102.05510	0.9
105.10294	1.2
110.06076	0.8
112.11237	10.4
118.03555	1.1
118.05004	8.3
119.01897	3.2
120.02021	1.0
124.10223	0.8
128.07112	1.1
129.10197	4.7
129.13850	1.9
130.08650	27.7
137.67125	0.8
142.08627	2.0
145.03435	0.8
146.08116	54.1
147.11272	2.8
150.05411	1.1
153.00925	1.1
157.13741	0.9
160.04547	0.9
160.09691	13.8
162.03116	1.1
163.10741	5.5
171.14944	1.1
172.13326	11.0
177.00946	1.5
177.12309	1.3
179.10657	2.2
184.70325	0.9
187.14371	1.4
189.12202	1.3
189.51733	1.0
198.16048	1.1
200.12810	1.1
217.13283	1.8
217.15474	77.8
234.18114	100.0
235.06616	1.5
235.16777	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	234.9172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	5.2
57.74460	1.5
58.06594	2.4
60.04520	2.3
66.11314	1.8
70.06595	4.1
72.08161	42.9
73.08490	3.0
84.08141	23.2
85.08472	2.6
86.06061	2.8
88.07626	5.7
95.08604	1.9
118.05014	2.4
129.10226	3.3
130.08644	4.9
136.94020	100.0
146.08115	21.0
147.08443	2.6
163.10748	2.7
179.10704	2.6
181.02832	2.1
208.37166	2.1
217.15488	18.2
218.15762	3.6
234.14529	2.4
234.18115	25.2
235.16887	7.4
235.18741	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	235.1076
Annotation	5-methoxy-L-tryptophan
Peak:m/z	Relative Intensity
51.60885	1.0
53.03924	1.7
54.85707	1.1
55.01868	2.1
55.05496	3.2
56.05027	3.4
57.07072	33.9
60.04512	2.1
65.03954	1.1
67.05483	4.3
68.05007	2.2
69.03434	8.1
69.07048	2.8
70.02932	1.8
70.06583	11.6
70.74197	1.6
70.74542	2.5
71.04991	8.8
71.93486	1.2
72.08154	7.5
72.21786	1.2
74.06056	2.0
75.51118	1.1
76.03961	1.2
79.05477	4.4
80.04999	3.3
81.07045	3.8
82.05256	1.1
82.06550	2.3
82.75568	1.0
83.05003	1.3
83.06096	1.6
84.04500	9.0
84.08139	11.9
85.06498	2.1
85.08459	1.8
86.06058	3.4
86.09697	8.0
88.07635	1.5
91.05508	6.6
92.04997	2.7
93.07033	3.6
94.06562	8.3
95.04951	3.0
95.08576	4.9
97.06525	1.3
98.06030	2.4
101.10690	1.2
104.04975	3.4
105.07017	2.3
106.06535	2.6
107.04945	3.1
107.08559	4.0
109.06496	1.8
109.10130	2.1
109.32099	1.2
110.06020	5.3
110.07157	7.6
111.04440	2.0
112.99223	1.3
116.98653	1.2
117.05741	3.2
117.07039	1.3
118.06554	2.9
119.04910	3.7
119.06038	2.3
119.08560	4.6
120.04451	3.4
120.08083	7.0
121.06477	2.0
121.10126	3.2
122.05985	3.8
123.04404	5.1
123.08015	2.0
129.06992	1.9
129.10210	3.1
130.05031	1.2
130.06541	2.1
130.08702	1.4
131.06075	1.4
131.08568	1.1
132.04398	2.0
132.08009	1.5
133.07602	1.6
133.10139	2.4
134.05962	3.7
134.09593	1.4
135.04424	1.6
135.11662	1.7
136.06143	1.4
136.06578	1.3
136.07542	11.4
137.05974	3.3
137.07079	3.1
138.05510	7.7
143.08551	1.5
144.07018	1.3
144.08067	5.9
145.07588	4.8
146.05978	3.6
146.09636	3.4
147.04395	7.5
147.05598	3.3
147.11688	1.3
148.07544	1.7
149.02274	1.8
150.05478	1.9
156.07710	1.4
160.07521	1.8
161.05894	2.4
161.07098	3.5
161.10739	2.8
161.13222	1.5
162.05476	5.3
162.09131	1.8
164.07016	3.1
164.10725	1.4
170.08408	2.9
171.09143	9.7
172.07562	3.4
173.10745	31.7
175.14828	1.7
176.07057	1.8
179.10652	20.3
187.08667	3.8
189.10228	93.0
190.08647	2.9
190.10300	1.3
191.08725	1.5
191.11823	2.3
196.04257	1.9
203.79622	1.2
207.11313	4.0
207.22911	1.1
217.09734	26.8
217.15759	1.4
217.19400	2.0
218.08122	17.2
218.15758	1.4
235.10753	100.0
235.16879	74.6
235.20627	4.3
236.09102	15.5
236.11018	1.9
236.16519	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	234.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.05517	4.9
56.05013	1.4
56.96563	1.6
57.07079	6.1
58.06601	2.6
67.05504	2.2
69.07069	32.2
69.54330	1.7
69.54741	5.6
70.06585	3.4
70.07405	1.3
72.08150	13.1
79.05490	5.6
80.05844	1.0
81.07058	1.9
83.83915	0.9
84.04506	1.5
84.08128	2.6
86.09709	12.0
87.10023	1.2
88.07641	1.4
91.05482	12.6
92.05821	2.2
93.07063	2.1
94.06570	1.0
95.04975	2.3
97.06530	9.7
98.06858	7.4
98.20817	1.8
98.97594	7.3
103.05472	6.5
105.03387	2.3
105.07021	5.4
107.04966	2.7
107.08635	1.1
109.06503	1.6
110.07175	2.0
115.05453	9.8
116.98634	3.6
117.07046	3.4
118.06551	3.1
119.04980	2.6
119.08595	3.0
120.05265	2.2
120.08108	18.5
121.06548	2.2
121.08475	1.6
123.04434	15.0
128.06226	3.4
129.07005	15.9
130.04164	2.1
130.06593	1.2
131.04938	7.0
131.08562	1.0
133.06464	5.2
134.99666	2.7
135.04457	1.4
136.06183	9.5
136.07169	1.0
136.07579	1.1
137.05997	13.8
138.06335	4.1
143.04901	7.8
143.08575	4.4
145.06525	3.4
146.05942	7.2
147.04396	9.1
147.08087	1.3
148.05148	5.8
149.05977	17.9
150.06438	1.2
152.14731	0.9
157.06480	13.0
158.99704	2.2
160.05261	3.8
161.05980	100.0
162.06705	5.7
163.06274	2.4
163.07503	1.9
164.07037	8.2
170.07333	2.3
171.08095	4.0
171.11705	4.9
173.05925	1.0
174.06752	1.4
175.07545	49.6
177.00690	3.0
181.04900	1.6
182.05284	1.9
184.08792	1.3
186.91045	1.0
188.06993	2.2
188.08481	1.9
189.09117	9.8
189.12788	1.5
190.09453	1.6
199.11174	11.0
205.12267	1.4
206.08220	3.9
217.12239	81.1
234.06369	1.3
234.08742	1.7
234.12057	4.1
234.14975	47.9
235.13333	1.1
235.17119	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	234.1487
Annotation	Dexmethylphenidate
Peak:m/z	Relative Intensity
53.03922	1.2
55.01864	1.8
55.05509	6.8
57.07070	2.5
58.06590	4.9
67.05486	1.8
69.03423	1.1
69.07059	18.4
70.06583	1.7
70.86828	2.2
70.87150	1.4
72.08148	5.2
79.05495	3.3
81.07040	5.2
84.04505	1.6
84.08131	2.2
86.09714	2.2
91.05479	8.9
93.07034	2.4
95.04976	1.2
98.09702	1.9
98.97579	4.8
103.05462	5.2
105.03364	5.8
105.07021	7.3
107.08568	1.7
109.06520	1.3
115.05450	7.7
116.06292	2.5
116.98630	2.3
117.06990	3.1
118.06509	1.5
119.04984	2.2
119.08583	1.5
120.08097	2.8
121.08408	1.0
123.04423	16.2
128.06203	6.2
129.07002	25.5
130.04144	2.9
131.04904	12.7
131.08560	1.3
133.06509	3.7
136.06166	14.2
137.05960	12.7
142.07762	2.2
143.04924	8.6
143.08575	4.8
144.05696	2.0
145.06456	5.9
146.06000	2.2
147.04382	14.6
147.08099	2.3
148.05164	11.8
149.04829	1.7
149.05965	43.5
151.07562	1.8
156.09392	1.9
157.06485	18.7
158.07333	1.7
158.99608	1.4
160.05215	6.7
161.05969	68.1
162.06755	12.3
163.07556	3.8
164.07057	100.0
165.07394	1.6
169.06401	1.5
170.07307	2.6
171.08006	6.6
171.11681	9.9
173.06052	2.2
174.06705	2.6
175.07532	74.8
176.08011	2.5
177.00795	1.8
184.08806	1.9
188.08322	4.4
189.09058	5.8
199.11165	14.0
202.09886	1.2
217.12227	77.9
218.12617	1.4
234.14952	81.0
235.17128	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	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05488	0.6
56.05032	18.0
57.03437	2.8
58.06605	3.5
67.05498	0.5
70.06593	1.0
70.62466	1.3
70.62804	0.5
72.08157	4.4
74.06077	100.0
75.04481	0.8
75.06420	0.6
77.74752	0.4
79.05482	0.5
80.05025	0.4
84.04494	3.3
84.08150	1.2
86.09704	23.8
91.05474	0.7
101.07128	2.0
114.37199	0.4
129.10217	0.8
130.08690	0.5
132.10194	16.7
132.11188	0.8
134.08150	0.6
142.12227	0.7
169.13405	1.8
187.14413	8.1
187.15968	0.6
208.99722	0.6
215.13885	4.0
233.14972	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	233.1534
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03929	2.2
55.01851	3.4
55.05496	8.7
56.96551	4.7
57.03431	1.7
57.06422	1.6
57.07071	2.4
65.03922	2.4
67.05502	23.9
69.07056	16.6
70.26075	6.0
71.04977	4.3
79.05499	27.1
81.07051	19.8
83.04968	2.4
83.08597	2.9
91.05479	79.9
93.07053	22.7
95.04977	10.8
95.08607	14.1
97.06514	3.0
98.21419	2.8
103.05447	5.8
105.07028	80.7
107.04948	8.2
107.08590	10.5
109.06495	2.6
109.10101	2.1
117.06374	1.9
117.07030	22.6
118.97668	1.9
119.08575	57.9
121.06493	5.6
121.10129	7.6
129.06989	5.8
131.08553	48.8
133.06461	4.0
133.10143	16.8
135.08006	4.6
135.11691	2.5
137.05916	4.1
141.06993	3.8
143.08565	3.6
143.98311	2.0
145.10107	17.4
147.08066	3.4
149.09586	3.9
155.08537	6.0
159.08054	3.0
159.11652	8.2
162.04099	2.0
168.17560	1.8
169.10179	4.7
171.11679	7.8
173.09630	3.2
173.13278	14.0
177.05476	8.5
178.06245	4.3
187.11250	3.7
187.14774	10.6
191.10602	1.9
197.13297	8.8
215.14285	11.4
215.17891	2.6
233.04466	4.6
233.07857	2.2
233.11626	6.6
233.15352	100.0
233.19070	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	233.2261
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
52.31183	0.6
53.03937	1.8
53.47301	0.4
55.05509	14.7
57.07071	2.8
65.03938	2.3
65.44933	0.5
66.92482	0.5
67.05501	97.2
69.07063	15.4
70.90945	1.0
71.08617	0.8
77.03918	0.6
79.05489	24.0
81.03442	0.7
81.07050	100.0
83.08613	7.4
91.05467	5.2
93.07040	26.1
95.04965	2.4
95.08602	86.9
97.10133	3.3
105.07024	3.2
107.04905	1.2
107.08585	14.2
109.06535	0.8
109.10149	40.8
110.10522	0.8
117.07035	1.1
119.08569	1.2
121.06470	1.2
121.10138	26.9
123.10835	1.1
123.11697	17.5
131.08589	1.3
133.10100	1.2
135.08031	1.4
135.11684	21.5
137.13242	9.0
145.10120	1.6
147.07967	0.7
149.09627	0.7
149.13252	11.1
151.14813	5.8
163.11188	1.1
163.14821	4.5
165.16364	1.1
173.13220	0.6
175.11124	0.7
177.05389	0.8
177.09140	0.6
177.16350	2.5
187.14792	0.8
191.17877	1.1
215.14259	0.9
233.04355	1.3
233.07961	1.0
233.11662	1.2
233.15535	2.7
233.18932	32.2
233.22577	77.0
234.22893	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	233.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.3
55.05508	2.1
57.07076	59.0
58.30204	1.0
61.01154	10.2
67.05492	4.6
69.03416	1.1
69.07063	3.1
69.96361	0.9
70.06584	2.3
72.04520	23.5
72.08138	1.5
77.82748	0.9
78.03368	1.6
78.03793	24.5
79.05489	5.9
81.03413	2.0
81.07056	5.4
82.06605	1.1
83.04973	1.1
84.08148	2.9
84.71884	1.0
85.06542	54.1
86.06062	1.2
86.09688	1.5
88.34706	1.2
88.64044	1.0
91.05466	7.4
93.07050	6.9
95.04955	2.8
95.08618	4.3
96.80833	1.2
97.06535	2.1
98.21504	2.6
99.04392	1.3
102.03759	28.3
102.09167	4.1
103.02164	2.3
103.05455	1.3
105.07033	9.3
105.24685	1.0
107.04955	3.7
107.08605	6.1
109.06523	2.0
109.10166	2.1
114.03735	9.1
114.09161	17.1
115.02164	1.6
115.05473	3.0
117.07007	3.3
117.96110	1.0
118.87381	1.0
119.04903	1.6
119.08567	5.2
120.04813	5.7
121.06505	3.3
121.10141	2.8
129.07021	1.6
129.45039	1.0
131.04895	1.6
131.06396	15.9
131.08530	5.0
132.04797	24.1
132.10214	1.9
133.10117	4.9
135.08044	1.8
135.11688	1.5
137.05968	3.1
141.06920	1.1
143.08585	1.7
144.05664	1.2
145.06505	4.7
145.10118	8.8
147.08028	1.5
147.11649	3.7
149.07439	73.1
156.10197	100.0
158.07329	1.5
159.08076	2.6
159.11679	5.5
161.13257	1.4
162.09427	1.6
163.11217	1.6
169.10089	1.6
173.06012	1.7
173.09624	3.6
173.13226	2.6
175.07518	1.0
177.05620	1.6
177.12830	1.4
187.11226	4.2
187.14870	2.6
191.03401	1.2
191.10666	1.7
205.08597	2.6
215.10570	2.5
215.14293	1.6
215.17958	3.6
215.21820	1.0
216.10748	1.2
233.08064	10.6
233.13167	17.8
233.15396	11.0
233.18860	7.6
233.23033	6.9
253.86728	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	233.1494
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
50.34399	0.2
55.09338	0.2
56.05040	1.1
58.99857	0.3
69.07064	4.3
70.06566	0.4
71.00536	0.3
71.00844	0.3
72.08155	1.7
74.06075	2.4
79.58939	0.3
83.04943	0.3
84.04507	1.4
84.08147	0.7
86.06060	0.4
86.09701	100.0
87.10043	1.1
91.05450	0.3
102.05541	1.4
109.51797	0.3
117.03964	0.5
119.01918	0.4
120.06569	4.6
130.04996	1.4
135.05171	0.3
142.12402	0.3
145.03426	0.3
151.03110	0.3
161.02957	0.4
161.86269	0.2
162.07600	0.6
163.04500	0.5
174.45901	0.3
187.14455	0.4
189.02513	0.6
211.45651	0.2
215.13916	2.1
233.12923	0.5
233.14943	2.0
234.09790	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	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03933	0.8
53.97709	0.3
55.01867	3.2
55.05502	0.3
57.03435	0.5
63.02411	0.3
65.03927	1.1
66.96502	0.4
67.05215	0.3
67.05506	2.8
68.54050	0.3
69.03442	0.6
69.07065	30.2
70.20962	0.6
70.21372	1.1
71.04975	0.4
76.48544	0.3
79.05489	7.0
81.03402	0.3
81.07043	2.2
83.04961	1.2
86.09686	0.6
91.05477	33.6
93.07050	1.9
95.04959	1.5
97.06525	23.5
99.04417	0.5
103.05469	0.5
105.07027	3.2
107.04958	2.5
107.08584	0.7
108.05728	0.4
109.06516	2.9
114.38406	0.3
115.05450	0.5
117.07002	2.4
119.04935	19.8
119.08604	0.9
120.08064	0.4
121.06489	2.4
123.04446	0.5
128.06195	0.7
129.06972	0.8
130.07793	1.2
131.04933	0.5
131.08557	1.4
133.06473	1.2
135.04393	1.4
135.08067	0.6
136.05174	2.1
137.05971	100.0
138.06276	1.3
139.07487	0.3
141.07005	0.6
143.08557	1.2
144.05670	0.4
144.52191	0.4
145.06447	1.1
145.10115	5.7
147.08067	0.6
147.11682	0.5
148.08852	0.4
149.05992	1.1
154.07741	0.7
155.06140	0.4
155.08559	0.7
158.07225	0.6
159.08095	0.9
159.11694	2.7
163.03903	2.3
163.11165	2.1
169.10139	1.9
172.05170	0.6
172.08925	0.4
173.05981	0.9
173.09610	12.5
174.06781	0.4
174.09976	0.4
179.08641	0.6
187.11159	4.5
189.09137	0.4
191.06973	0.4
191.10651	1.2
191.29222	0.3
197.09633	1.9
201.22421	0.3
205.12296	0.4
215.10661	4.2
233.08099	0.9
233.11713	10.3
233.15439	0.8
234.12074	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	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03956	1.5
55.01879	4.5
55.05508	2.0
57.03416	0.7
65.03938	2.7
67.05511	6.0
67.88520	0.7
68.99786	0.9
69.03426	4.8
69.07066	26.3
69.33028	4.9
69.33455	2.4
70.99759	0.6
71.04987	1.7
79.05490	14.2
81.07056	5.5
83.04978	1.5
85.06538	1.5
86.09711	1.3
91.05478	56.3
92.05801	0.8
93.07047	7.6
95.04955	5.1
95.08596	1.1
97.06527	34.6
98.21632	1.3
99.04455	3.2
103.05470	1.3
105.04567	0.7
105.07030	15.2
107.04946	4.4
107.08603	2.4
109.06517	3.1
115.05464	3.2
117.07024	9.5
119.04933	44.0
119.08601	4.7
120.08128	0.7
121.06495	9.5
123.04424	1.0
128.06223	2.5
129.06979	3.3
130.07782	3.6
131.04916	1.9
131.08557	8.0
133.06482	3.3
133.10139	3.9
135.04402	1.7
135.08084	1.2
136.05133	1.7
137.05972	100.0
138.06285	1.5
141.06975	2.4
143.08563	3.7
143.37408	0.7
144.05614	1.1
144.09323	2.9
145.06467	5.9
145.10120	28.2
146.07355	0.7
147.04398	2.0
147.08029	1.5
147.11723	1.5
149.05939	1.2
149.90840	0.7
154.07768	3.5
155.08484	2.0
157.10194	0.8
158.07263	3.6
159.08032	4.2
159.10466	1.1
159.11684	13.9
159.12895	1.2
163.03889	2.3
163.07520	1.2
163.11212	5.2
167.08441	1.0
169.10118	6.5
171.11652	1.4
172.08760	2.7
173.06039	0.9
173.09622	24.0
175.07527	2.8
179.08549	1.4
182.07265	2.1
187.11180	30.7
189.09109	1.6
189.12729	1.6
191.10663	2.7
197.09630	6.9
205.12206	4.6
215.08957	0.6
215.10652	23.4
233.11703	25.4
233.15331	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	231.1014
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
51.02380	0.5
53.03942	9.1
53.47068	0.5
54.05909	0.5
55.01870	5.2
55.05507	2.0
57.03435	5.0
61.02932	1.2
64.03446	0.5
65.03958	0.6
67.05491	1.2
68.99786	2.4
69.03426	88.6
69.07082	1.2
69.43336	4.3
70.06584	0.5
71.01352	5.5
71.04992	8.3
72.08167	1.0
73.02929	1.8
79.05483	2.7
81.03414	46.2
81.07069	2.5
83.01337	2.3
83.04990	1.5
85.02902	25.4
85.91007	0.5
87.00823	15.8
91.05487	4.8
93.07043	1.5
95.04963	0.7
95.08614	1.5
97.02887	18.3
97.06457	0.5
98.20792	0.8
99.04449	19.4
102.04669	1.2
103.05464	2.4
105.01868	3.1
105.07019	3.6
107.04942	1.0
107.08610	0.9
109.02876	18.9
109.06459	0.5
109.10121	0.9
115.05447	4.8
116.06250	1.1
117.07023	2.4
118.04126	1.1
119.04933	3.7
119.08566	2.0
121.06495	2.3
121.10123	0.8
124.50570	0.5
127.03909	24.6
128.06229	7.9
129.01816	0.8
129.07010	4.9
129.77678	0.6
130.04146	2.0
130.07759	0.6
131.04906	4.1
131.08595	1.4
132.05696	1.4
133.06458	4.6
133.10139	1.9
134.07251	1.5
137.05991	3.6
141.07002	1.4
142.07773	1.8
143.04906	2.2
143.08556	9.8
144.05708	5.8
145.04996	2.6
145.06479	3.3
145.10114	2.9
146.03624	3.1
146.07259	1.8
147.04404	13.2
147.08064	2.1
147.11674	0.6
149.05951	1.2
152.06201	2.2
153.06998	5.2
154.07727	0.7
155.06032	1.1
155.08562	1.2
156.09364	0.9
157.06444	0.9
157.10110	2.1
158.07204	0.9
159.04413	1.1
159.08041	5.2
159.11696	1.6
160.05194	6.9
160.08821	1.1
161.05968	67.1
161.09596	5.2
161.13242	0.7
162.05486	1.0
162.06752	13.5
163.07509	2.3
169.06480	1.2
170.07249	2.3
171.08051	10.8
171.11713	1.2
172.05197	1.5
173.05994	1.1
173.09544	0.9
174.06758	1.5
175.03894	6.9
175.07536	14.6
175.11159	4.4
175.14839	0.7
177.05527	0.7
181.06416	4.1
181.07726	0.6
182.07346	0.6
185.05981	0.7
185.09610	5.0
185.13231	3.5
187.07503	3.6
187.14865	0.6
188.08279	2.6
189.05431	3.9
189.09038	2.7
190.06236	100.0
191.06607	0.6
198.06779	1.4
199.07536	5.2
201.05443	0.8
202.09830	0.6
203.07047	2.2
203.10657	6.3
203.14180	0.8
213.03928	1.8
213.09064	4.2
213.12569	1.0
216.07878	1.7
231.04736	4.3
231.06708	1.3
231.10149	30.9
231.13554	4.7
231.17389	1.7
231.20982	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	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
52.60174	0.2
53.03953	0.3
55.05510	11.7
56.05014	0.3
57.05811	1.0
58.85174	0.2
69.03407	0.3
70.06571	0.3
71.19897	0.5
72.08151	100.0
73.08492	0.4
84.08138	0.5
86.09700	5.9
102.05483	0.3
129.10243	0.4
132.10193	3.7
175.07593	0.4
181.28114	0.2
181.49438	0.2
185.13336	0.5
185.16537	1.0
231.13760	0.4
231.14943	0.3
231.17009	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	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03944	2.6
55.01869	5.1
55.05511	2.1
57.03442	1.1
65.03945	1.9
67.05502	6.9
67.61704	0.7
69.03429	5.4
69.07066	12.4
69.68268	5.3
70.06599	1.2
71.04990	2.9
74.06071	1.4
79.05492	19.2
81.03439	1.5
81.07059	5.4
83.04998	1.2
84.40946	0.8
85.02936	0.8
85.06532	1.2
86.09702	4.0
87.00809	1.1
87.08108	1.0
91.05476	28.1
93.07031	9.0
95.04973	9.0
95.08592	1.4
97.06525	59.8
98.21542	0.9
99.04439	5.1
103.05460	2.7
105.04563	0.7
105.07032	26.3
107.04958	10.7
107.08592	2.7
109.06522	3.7
115.05457	3.4
116.06263	0.9
117.07008	12.0
117.07778	1.2
119.04939	12.3
119.08575	8.5
120.08100	2.6
121.06510	11.5
121.10114	1.5
125.05963	1.0
128.06198	2.0
129.06949	5.7
129.13364	0.7
130.07784	9.6
131.04898	2.6
131.08571	12.3
132.05679	1.0
133.06496	3.3
133.10129	3.3
135.04405	2.6
135.08055	2.8
135.11665	2.0
137.05974	41.3
141.06992	2.4
143.08585	7.6
144.09341	3.3
145.06485	8.3
145.10118	51.8
147.04402	4.5
147.08038	1.5
147.11697	5.7
149.05965	3.9
151.07527	1.5
153.06908	1.1
154.07776	4.3
155.06027	1.1
155.08569	1.3
156.09366	1.2
157.10103	2.0
158.07271	4.8
159.08057	5.1
159.11681	15.9
161.05995	1.8
161.09598	1.7
163.03923	4.0
163.07513	2.2
163.11177	22.4
169.10126	6.1
171.11703	1.1
172.08841	2.3
173.09616	100.0
174.10008	1.9
175.07600	1.3
177.05452	0.8
177.12814	0.8
179.08577	1.6
181.04941	1.9
182.07332	0.9
187.11182	29.5
188.11621	1.2
189.09055	6.4
189.12686	3.6
191.07053	2.0
191.10623	4.7
197.09627	4.0
205.12195	5.8
215.10645	20.4
233.07994	2.7
233.11703	44.6
233.15343	1.4
234.11876	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	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03946	16.1
55.01859	1.7
55.05510	2.3
56.96566	0.8
57.03433	3.5
57.07075	1.6
61.02928	1.3
67.05504	1.5
68.99789	2.6
69.03427	100.0
69.07072	1.2
69.59781	3.6
70.06590	1.0
71.01364	0.8
71.04988	13.1
71.08657	0.9
72.08175	1.2
73.02898	0.6
79.05491	2.2
81.03414	39.8
81.07050	3.7
83.01347	1.0
83.08617	0.8
84.08171	1.3
85.02900	33.9
87.00822	14.9
87.04488	0.8
91.05479	3.4
93.07051	2.5
95.08617	2.7
97.02884	16.1
98.21517	0.9
98.97598	1.3
99.04450	32.5
100.04799	0.5
105.01870	3.0
105.07016	4.3
107.08616	2.3
109.02872	14.1
109.10210	1.1
111.00800	0.8
116.98574	1.1
117.07041	1.8
119.08543	2.9
121.06470	0.6
121.10177	0.9
126.05484	0.6
127.03912	22.7
128.06245	1.3
129.07031	2.3
131.04988	0.5
131.08542	3.6
133.06516	1.1
133.10167	2.3
135.11702	0.8
137.06047	0.8
142.07803	1.9
143.08566	4.9
144.09258	0.7
145.04970	2.0
145.06509	0.7
145.10138	2.9
147.04393	0.7
147.08084	1.4
147.11711	1.4
149.13293	0.7
157.06566	0.7
157.10124	3.7
159.08020	0.9
159.11743	2.0
161.09651	1.5
161.13255	1.1
164.70415	0.6
171.11720	1.6
173.09714	1.1
173.13194	0.8
175.03885	1.1
175.07571	1.7
175.11212	0.9
175.14864	0.9
185.13228	6.7
189.09149	1.3
189.12816	0.9
203.10611	0.8
203.14395	1.8
213.03923	4.0
213.09290	0.7
213.12825	2.1
213.16425	0.7
231.05048	3.9
231.10222	0.9
231.13771	8.2
231.17490	2.5
231.21144	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	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
52.61350	0.4
54.15757	0.3
55.01865	0.7
55.94596	0.4
56.05019	1.2
56.96535	0.3
58.06598	6.7
59.07368	1.4
60.04517	0.4
60.08163	7.4
68.05017	1.4
68.08999	0.4
70.06591	38.4
71.03654	0.9
71.94081	0.5
72.08155	3.3
76.04000	0.5
79.05479	0.6
84.04505	7.5
84.08130	1.7
86.09697	1.2
91.05463	0.9
95.04976	0.4
96.08130	1.6
97.76366	0.3
98.06042	1.5
107.04959	0.8
110.06049	0.4
110.07174	0.5
112.96725	0.5
114.05528	4.5
114.09168	2.2
116.07082	1.8
118.08640	0.6
119.04925	0.4
120.05270	0.4
122.06017	0.5
124.07582	3.4
126.09202	0.4
130.05025	3.0
133.07545	0.4
134.05916	0.4
135.04395	0.4
136.03995	0.5
136.05153	0.7
137.05946	1.0
138.06331	0.8
138.09163	0.4
138.53777	0.4
142.08630	34.4
145.06035	0.6
147.02565	0.4
148.07533	0.4
150.05467	0.4
151.02106	0.7
151.06288	1.0
152.07027	0.9
155.08301	0.4
167.04858	0.5
168.02426	1.0
169.03166	1.1
170.08121	2.2
175.02138	0.5
176.07077	0.5
179.08998	0.5
182.02649	0.4
183.11327	1.0
193.03174	1.7
194.08040	0.4
201.12404	0.4
208.04266	0.4
210.05907	0.4
211.10844	0.6
211.72226	0.4
229.15469	100.0
230.15755	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	230.9901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	18.3
70.06599	79.3
71.56367	30.2
72.08141	17.6
84.04489	38.1
84.08160	38.8
84.79559	14.6
85.06609	16.1
86.09659	16.2
86.27310	16.0
86.27863	16.6
116.07082	42.1
129.10205	16.9
130.05022	20.4
143.08966	21.1
144.08867	18.5
194.47771	15.0
196.06068	29.8
230.15797	100.0
231.15936	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	230.9901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03275	29.4
71.21998	100.0
84.04528	36.8
88.79653	34.5
230.15918	51.1
232.56354	39.2
243.07687	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	229.1434
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
55.01867	11.4
55.05501	21.4
57.03422	12.2
57.07069	9.2
59.81721	6.5
67.05504	94.2
69.07057	18.7
70.05695	13.0
70.06093	16.2
70.06602	38.0
71.04991	7.9
71.52473	5.9
72.01328	6.1
72.08144	12.7
79.05486	18.9
81.07055	75.5
83.04981	12.7
83.08612	17.6
84.04466	12.5
84.08133	13.9
85.06570	10.5
86.06071	8.8
86.09691	15.0
87.04485	7.3
91.05488	43.7
93.07035	25.3
95.08595	22.7
97.06501	12.8
98.06049	14.4
99.00829	8.7
105.07033	47.5
107.08584	21.7
109.02887	9.5
109.06552	10.4
109.10151	53.7
115.05473	6.9
117.07027	8.0
119.08563	48.8
121.10163	27.4
123.11699	29.0
128.06204	6.2
129.07040	14.9
131.08539	17.9
133.10152	22.2
137.09537	7.2
143.08511	9.9
145.10133	12.6
147.11676	98.2
155.08513	7.5
157.10120	24.1
159.08110	8.8
159.11661	17.6
165.12749	42.5
169.10184	8.0
173.09619	7.7
173.11813	12.7
173.13266	13.8
175.03928	8.4
175.11194	23.4
183.11726	7.6
211.14845	6.7
229.05009	13.5
229.08548	37.6
229.12259	17.8
229.14151	100.0
229.15863	13.4
229.19554	15.0
229.23616	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01856	1.8
55.05510	6.2
56.96341	0.5
56.96566	5.4
57.03416	0.9
57.07062	0.9
65.03928	0.9
67.05505	5.9
68.05026	0.6
69.03429	3.6
69.07069	6.6
70.06570	2.4
71.04995	6.1
72.08157	0.6
73.02898	1.2
75.61326	0.5
77.89767	0.5
78.04706	1.4
79.05489	7.3
81.03383	1.2
81.07054	9.2
83.04962	2.0
83.08624	3.8
84.04488	1.3
84.08141	1.8
85.02882	0.5
85.06544	5.0
86.09704	14.0
91.05482	7.5
91.25345	0.5
93.07042	11.4
95.04379	0.7
95.04959	8.9
95.08598	6.0
97.06522	5.0
97.10136	1.6
98.21515	1.7
99.04443	2.5
99.08117	2.6
100.11248	13.2
102.02180	0.5
102.03754	0.5
103.05455	1.8
105.03441	0.7
105.07015	4.6
105.07525	0.5
106.04173	1.3
107.04945	6.9
107.07876	1.1
107.08588	19.5
108.66392	0.6
109.06528	4.5
109.10156	5.6
110.07160	2.0
111.04451	1.3
111.08073	1.4
113.32832	0.6
115.07562	0.9
116.98537	0.5
117.06918	0.8
119.04937	1.2
119.08570	4.6
120.05705	0.6
120.08134	0.6
121.02861	0.5
121.06507	5.7
121.10130	9.6
123.04424	4.6
123.08042	3.7
123.11687	1.2
124.05182	1.9
125.05958	1.7
125.09618	2.0
127.07565	1.3
131.08543	4.7
133.02834	0.7
133.06488	0.7
133.10126	7.9
135.04402	1.0
135.08064	3.8
135.11684	2.1
136.05190	0.7
137.05963	2.4
137.09666	2.8
139.03874	0.6
139.11182	2.8
140.00146	2.7
140.04681	1.9
143.10674	0.7
145.10112	3.6
147.04341	0.7
147.11650	1.8
149.06001	5.2
149.09625	4.2
149.13261	6.3
151.03879	0.9
151.11168	4.6
152.04675	1.7
153.05467	1.0
153.09070	1.6
155.06985	1.6
155.08348	0.5
158.01233	8.4
160.02795	0.7
161.13226	0.8
163.11209	1.3
163.14786	2.9
165.09146	0.6
167.07031	100.0
167.10709	2.4
168.07382	3.1
171.10207	0.8
173.13234	4.5
176.02301	3.0
177.05496	4.8
181.04950	3.2
181.06429	1.0
181.08582	1.3
186.00797	1.1
187.42001	0.6
191.10655	1.6
191.14301	6.3
199.18108	0.7
200.10847	0.8
204.01796	7.2
209.08186	3.4
209.11710	1.8
209.15115	1.2
209.16798	1.0
222.02843	10.1
227.03448	1.0
227.07028	1.0
227.12695	1.5
227.16292	1.6
227.17564	2.1
228.10297	1.0
229.41731	0.7
243.72896	0.6
249.16470	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01865	3.0
55.05495	5.7
57.03437	3.0
57.07066	5.6
67.05500	32.4
69.07061	6.6
70.68295	4.4
71.04990	17.3
79.05489	32.6
81.07052	7.1
83.04973	10.4
85.06541	100.0
86.09705	4.6
91.05479	19.4
93.07044	31.7
95.04964	8.7
95.08605	3.6
96.00716	1.6
97.06540	4.0
99.08109	4.4
100.11238	4.1
105.07031	19.7
107.04947	11.0
107.08583	29.5
107.54776	1.6
109.06518	6.0
109.10158	2.8
111.04433	10.9
113.06008	2.3
117.07029	8.2
119.08566	19.9
121.06485	15.7
121.10128	22.7
121.10908	1.5
123.04459	3.4
123.08041	3.0
125.05984	7.1
129.07001	6.3
131.08562	64.7
132.08943	1.8
133.10109	1.3
135.08047	3.0
135.11679	5.1
137.05971	2.5
137.09607	8.9
139.07527	2.8
145.06490	2.6
145.10123	30.8
147.08043	5.4
149.05911	1.9
149.09610	69.7
153.05489	3.7
155.07059	2.9
156.17921	1.5
163.07555	2.2
163.11160	21.8
165.09120	11.2
167.07033	6.5
167.10681	30.5
173.09656	5.4
179.10745	2.7
191.10657	54.5
191.12366	2.9
197.11758	3.0
209.11714	51.6
209.13699	3.0
210.12111	1.9
227.06874	1.6
227.12714	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03934	4.5
55.01866	24.9
55.05507	27.4
57.03431	4.2
57.07085	8.1
65.84743	4.4
67.05503	40.0
69.03419	8.5
69.07055	22.5
69.18648	53.1
70.06567	6.8
70.74490	3.7
71.04969	10.9
73.02891	5.1
79.05488	31.7
81.07055	35.8
83.04981	38.9
83.08600	27.6
84.08134	4.0
85.06536	32.4
86.09695	27.4
91.05473	46.6
93.07050	37.9
95.04993	25.4
95.08575	16.3
97.06538	10.9
97.10109	4.4
99.04472	7.6
99.08085	5.4
100.11256	51.5
105.07019	14.5
107.04954	22.8
107.08582	50.0
109.06499	21.0
109.10148	17.0
110.07172	4.8
111.04436	69.7
111.08074	57.2
117.07035	8.1
119.08574	12.3
121.06522	22.6
121.10145	19.1
123.04453	15.1
123.98911	4.8
124.05152	6.2
125.05991	6.3
125.09617	10.4
128.06245	4.9
129.06981	10.2
131.04974	4.9
131.08542	20.4
133.10226	5.5
135.04451	4.1
135.08022	10.1
135.11697	23.7
137.05975	17.6
137.09596	4.4
138.41731	4.6
140.04674	8.3
140.76192	4.4
143.08572	6.6
145.10124	23.6
147.11688	5.5
149.05977	20.8
149.09602	17.2
152.04716	5.1
153.09077	23.8
153.12735	29.7
157.10068	9.8
159.04427	5.9
163.11171	38.9
167.07039	100.0
167.08414	6.4
167.10706	4.7
169.08633	27.2
171.11705	10.0
171.96558	4.3
173.09549	5.8
177.05463	23.0
181.05066	5.9
181.06528	11.9
181.12219	32.2
185.11684	7.0
185.13200	5.9
191.10678	38.6
195.10158	19.3
209.08066	10.7
209.11717	22.1
209.16454	6.4
219.31772	4.5
227.06937	8.9
227.10570	12.3
227.12793	18.8
227.17798	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03936	6.5
55.01867	7.7
55.05503	22.9
57.03419	4.5
67.05508	22.5
68.22604	2.9
69.07069	15.3
69.51833	18.2
71.04984	5.1
72.08118	2.9
73.02901	3.8
79.05077	4.1
79.05498	38.7
81.03419	3.3
81.07052	25.8
83.04959	7.6
83.08633	17.2
85.06532	7.1
91.05471	16.4
93.07045	49.0
95.04960	12.4
95.08604	52.9
97.02856	6.1
97.06530	3.2
99.04433	5.7
100.11282	7.5
103.05447	3.2
105.03405	3.2
105.07006	9.3
106.04156	3.2
107.04977	17.3
107.08594	38.2
109.06475	3.9
109.10176	5.8
111.04423	6.5
117.07008	13.4
119.08569	14.1
121.06497	14.1
121.10144	21.3
123.04422	7.0
131.04938	6.8
131.08600	5.6
131.09595	3.3
133.10129	4.5
135.08098	4.1
135.11687	68.0
137.05956	8.9
143.08565	4.0
145.10118	39.7
149.05957	11.2
155.07074	3.0
157.10091	2.9
159.04445	3.3
163.11172	90.9
167.05664	5.0
167.07045	76.9
167.08446	5.5
168.64317	3.2
171.11787	3.8
177.05475	22.0
181.12242	17.5
191.10738	3.9
195.06454	3.5
209.07986	4.4
209.11647	4.7
218.08170	3.4
224.53177	2.7
227.10548	6.5
227.12776	100.0
227.17827	6.1
227.90549	3.1
228.10130	2.9
243.42873	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01863	2.9
55.05501	2.6
55.21933	1.0
57.03441	1.8
57.07064	6.5
59.38055	1.0
67.05503	25.1
69.07068	5.3
71.04658	1.4
71.04996	17.5
71.09232	2.0
71.09568	1.4
79.05489	24.9
81.07053	6.0
83.04977	8.0
84.08160	1.1
85.06541	100.0
86.09715	2.2
91.05476	15.8
93.07047	21.4
95.04965	7.2
97.06533	4.1
99.08073	4.5
100.11248	1.1
105.07028	17.1
107.04953	10.8
107.08589	28.0
109.06506	4.7
111.04440	12.4
117.07001	5.0
119.08577	15.8
121.06508	16.6
121.10138	20.0
123.04418	3.1
123.08011	2.5
125.06007	7.9
129.07004	5.7
130.07774	1.5
131.08556	60.0
133.10143	2.0
135.08047	2.6
135.11681	5.6
137.05995	1.8
137.09622	5.7
145.06491	1.4
145.10115	25.9
147.08095	5.6
147.11690	1.6
149.05991	2.6
149.09612	67.7
153.05450	3.5
155.07011	2.8
163.07500	2.7
163.11185	22.3
165.09117	10.6
165.22713	1.0
167.07019	3.0
167.10669	35.7
173.09639	8.8
179.10635	1.4
191.10654	58.0
192.10977	1.6
197.11742	3.0
200.03336	1.0
209.11720	54.4
210.12019	2.3
220.25725	1.1
222.39441	1.2
227.12791	21.7
231.65350	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	226.0709
Annotation	4-Amino-4-deoxychorismate
Peak:m/z	Relative Intensity
53.00296	0.4
65.03936	1.7
67.72151	0.2
70.69424	0.7
71.01349	10.9
71.04955	0.2
72.08149	0.2
80.05022	1.9
82.06590	0.3
84.08120	0.3
89.02389	9.2
89.91681	0.2
90.46261	0.3
91.05494	0.3
92.04999	5.3
93.03377	0.9
96.57838	0.2
99.00791	1.7
107.04933	0.4
108.04466	7.1
108.05173	0.5
110.06033	100.0
111.04422	1.4
111.06361	1.1
118.97942	0.2
119.04942	0.2
119.61311	0.2
120.05631	0.4
120.08098	0.4
120.38484	0.2
133.05276	0.3
134.06001	0.5
136.03920	10.8
138.05499	0.8
151.07455	0.4
162.05493	1.2
180.06540	10.2
191.74742	0.2
208.06128	0.6
226.07097	2.3
226.09378	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	227.1023
Annotation	Porphobilinogen
Peak:m/z	Relative Intensity
52.38030	2.1
53.03938	3.2
53.65959	2.2
55.01859	5.9
55.05502	13.8
56.05014	6.2
58.06573	3.3
60.04532	3.0
65.03913	2.6
67.05476	6.7
68.05013	4.4
69.03419	6.7
69.07053	13.6
70.06263	2.8
70.06589	35.3
71.04980	3.6
71.58411	4.7
72.04481	2.7
72.08138	9.2
74.06059	6.7
78.04665	2.1
79.05479	14.8
80.05000	9.4
81.03391	3.8
81.07037	7.5
82.06560	11.4
83.04962	6.6
83.06090	5.3
83.08594	6.4
84.04508	20.3
84.08138	23.8
86.09680	11.3
91.05473	56.5
93.07028	10.6
94.06531	9.7
95.04955	17.6
95.06016	3.1
95.08595	5.3
96.04475	6.9
96.08107	3.9
97.02869	4.7
98.06013	7.0
99.04473	2.9
99.05546	2.5
100.11246	3.7
103.05445	10.1
104.04929	2.5
105.03361	2.8
105.06962	4.1
106.04163	3.5
106.06531	11.4
107.04942	23.9
107.08563	3.1
108.04466	4.1
108.08125	6.0
109.02825	3.7
109.06495	9.9
110.06017	7.7
110.07162	30.2
111.04432	4.9
112.08705	2.8
113.00002	2.5
113.96394	2.6
116.07095	5.6
118.06511	8.3
119.04930	27.9
120.04413	4.9
120.08115	14.7
121.06541	17.3
121.07343	3.6
122.06030	17.7
122.09610	3.2
123.04399	28.2
124.03909	3.3
124.05189	5.6
124.07547	7.4
125.02271	3.4
129.10214	5.8
130.08565	2.9
131.04895	8.2
132.04401	3.7
133.02831	3.7
134.05989	9.7
135.04382	10.4
135.09142	3.4
136.03909	2.4
136.05139	2.4
136.07567	25.1
137.05974	100.0
138.05460	5.7
138.09099	3.6
139.03891	5.1
140.04674	6.0
140.07059	3.3
143.04877	3.5
145.07616	3.5
146.06017	15.9
147.04382	13.3
148.05048	2.8
148.07535	9.8
149.05922	18.7
150.05392	12.1
150.06474	5.5
151.03889	13.2
151.06255	11.5
152.04669	17.3
152.07043	11.1
153.05473	20.2
154.04926	3.5
154.08635	3.0
156.06540	2.6
156.07683	8.0
160.03867	2.9
160.07545	5.8
161.05992	3.1
162.05490	6.7
163.03868	4.2
163.08644	10.5
164.07047	34.8
165.05486	23.2
165.07756	4.1
166.04939	3.2
166.08615	8.1
167.07025	92.8
167.08412	4.6
168.06512	26.0
169.07318	7.2
174.05475	7.3
177.05440	27.4
178.04971	8.4
178.08615	30.3
179.03343	7.5
180.06519	11.4
180.71094	2.3
181.04962	3.7
181.06404	4.8
181.09749	6.7
182.08087	7.2
184.09665	3.9
187.06024	5.2
191.08136	23.9
192.06548	31.8
192.10304	3.5
193.03157	3.0
193.04913	4.3
196.06026	7.2
198.07460	3.2
209.06168	3.9
209.09253	34.0
209.12790	3.5
210.07547	31.9
210.11105	12.9
211.06128	2.6
216.29953	2.5
218.08205	3.8
227.06956	5.1
227.10248	98.9
227.13620	14.9
228.08553	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	1.9
55.01859	2.1
55.05497	4.2
56.96574	1.0
57.07051	1.5
59.04972	1.5
65.03930	4.4
66.65732	0.9
67.05507	7.9
69.03418	3.4
69.07054	3.0
69.64173	0.9
70.06564	2.2
71.04986	6.1
71.59749	1.7
76.40811	1.0
77.03905	1.5
79.05489	9.7
81.03399	1.2
81.07053	11.2
83.04974	9.1
83.08580	1.4
84.04479	1.3
84.08131	1.6
85.02902	1.8
85.06528	4.2
86.09681	1.5
89.03905	1.8
91.05475	53.0
91.16591	1.0
93.07039	14.7
95.04964	8.6
95.08601	17.0
97.06514	4.5
99.04438	5.4
99.08097	1.9
103.05457	2.2
105.03342	2.9
105.07023	19.2
107.04967	5.2
107.07882	2.1
107.08587	34.0
108.05747	1.7
109.06519	12.3
109.10154	7.2
111.04437	6.2
111.08070	2.1
113.06006	1.6
114.99360	1.1
117.07011	1.4
118.04154	5.7
119.04941	47.4
119.08576	17.9
120.08083	2.0
121.06493	8.4
121.10143	14.6
123.04393	4.0
123.08070	13.4
123.11685	3.0
125.05975	2.3
125.09606	2.6
127.07557	1.4
129.06905	1.4
131.08556	5.8
132.02063	3.4
133.02872	1.5
133.06503	1.7
133.10098	5.1
135.04384	3.5
135.08028	1.3
135.11703	3.5
136.05119	2.1
137.05943	3.5
137.09608	23.4
137.13239	1.6
139.03870	1.4
141.09035	1.3
143.08542	3.2
145.02826	1.6
145.10127	2.5
147.04407	38.6
147.08026	4.7
147.11668	15.7
149.02354	5.7
149.05968	1.2
149.09608	21.2
149.13248	6.1
151.07529	3.8
153.05452	1.7
155.07233	1.1
156.09323	2.2
157.03957	4.0
159.11685	4.1
161.08409	1.0
161.09575	5.5
161.13261	11.8
163.11157	4.3
164.04723	5.6
165.05399	1.9
165.09114	4.2
165.12752	5.0
167.06964	1.6
167.10678	27.5
167.12079	1.4
171.11678	4.8
174.03079	1.4
175.03897	71.8
176.04291	2.9
177.01796	3.1
177.05455	1.2
177.12758	15.0
179.06999	4.7
179.10599	1.2
179.14275	1.6
180.04156	1.9
183.06531	3.2
183.13728	1.2
184.06313	1.2
189.12735	14.8
192.04147	18.8
193.04886	1.4
197.08238	1.1
207.06514	100.0
207.09846	2.8
207.13780	12.7
208.06775	2.6
225.07372	1.9
225.09247	1.3
225.11205	3.0
225.14661	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03937	2.8
55.01855	3.6
55.05512	13.9
57.03422	3.8
57.07063	4.4
59.04989	2.1
65.03922	3.2
67.05493	16.2
69.03417	17.9
69.07058	9.7
69.86290	10.1
71.04995	18.3
79.05493	19.8
81.07051	16.7
83.04974	21.8
84.08160	2.9
85.02886	4.4
85.06517	2.3
91.05468	35.6
93.07049	30.5
95.04965	14.2
95.08604	17.0
97.02888	3.9
97.06544	6.3
99.04454	18.0
103.05461	2.8
105.03402	2.8
105.07020	43.6
106.07826	2.3
107.04952	9.1
107.08584	33.6
109.05814	3.1
109.06514	39.6
109.10147	19.5
111.04443	4.5
111.08068	4.1
116.06213	2.8
117.07010	7.5
119.04933	12.0
119.07714	3.9
119.08571	56.8
120.08115	2.1
121.02856	1.9
121.06505	15.6
121.10137	64.7
123.04396	4.5
123.08042	21.7
123.11674	8.2
125.06002	3.0
125.09609	3.9
129.06960	3.4
131.08556	9.5
133.06458	7.5
133.07390	1.9
133.10121	16.0
135.08047	23.8
135.11702	14.5
136.05261	1.9
137.05948	3.4
137.09616	56.2
137.13243	3.9
139.03940	2.7
139.11130	2.2
143.08511	6.3
145.10071	6.0
147.04427	10.4
147.08041	31.8
147.11684	29.3
149.09610	100.0
150.09988	2.5
151.07521	5.4
151.11171	2.3
152.08234	2.7
153.09137	11.8
156.09322	9.3
159.07993	2.7
159.11584	2.1
160.08806	2.9
161.09641	9.0
161.13231	25.2
163.11137	14.3
165.09131	5.6
165.12746	12.2
167.07028	4.3
171.11749	11.4
171.12985	2.2
174.10423	4.7
175.03906	13.8
179.10706	2.7
179.14304	13.1
181.78700	1.8
183.13792	3.7
189.12727	41.6
192.04164	5.2
207.06450	17.9
207.13824	18.2
225.09232	2.4
225.11198	5.2
225.14674	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	225.1232
Annotation	4-(3-AMINO-2-HYDROXYPROPOXY)PHENYLACETAMIDE
Peak:m/z	Relative Intensity
51.02389	3.3
52.41702	2.9
53.03951	4.0
54.90420	2.8
55.05499	6.8
56.05025	9.7
58.06588	14.1
60.04522	11.3
67.05495	11.8
67.49194	3.2
68.05013	6.2
69.03411	4.5
69.07047	5.2
70.02912	3.9
70.06585	18.4
70.06907	3.2
71.13664	4.9
71.13984	3.9
72.04515	3.7
72.08143	17.7
74.06071	12.1
74.91843	3.3
79.05483	22.0
80.05007	7.9
81.04480	3.7
81.07062	7.9
82.06578	9.5
83.04980	5.2
83.06082	4.1
83.20734	3.1
84.04467	15.7
84.08142	46.7
85.02946	3.9
86.06090	5.1
86.09687	10.5
91.05476	33.4
93.07025	10.9
94.06563	14.8
95.04961	15.2
95.08578	3.8
96.04465	7.5
96.08099	10.9
97.06511	4.4
98.06036	4.3
103.05464	12.5
105.03382	12.1
105.07013	10.0
106.06557	14.6
107.04955	29.4
108.04461	4.5
108.08102	7.8
109.02874	3.5
109.06509	12.0
109.07636	3.7
110.06036	14.0
110.07126	4.3
111.04432	8.0
112.07601	4.7
112.08663	3.7
118.06548	4.5
119.04935	13.3
120.04464	3.5
120.08098	21.5
121.02830	3.8
121.06490	12.7
122.06004	19.8
123.04416	22.7
123.08048	5.7
124.03939	3.3
124.07600	9.6
125.05979	4.1
125.09602	4.3
126.05489	12.5
129.10207	18.6
130.06535	4.1
131.04907	8.0
132.04451	4.2
132.08070	4.3
133.02805	4.6
133.06488	6.3
134.06020	31.3
135.04407	24.8
136.03917	4.2
136.05150	2.9
136.06114	3.7
136.07571	19.1
137.05969	25.6
138.05472	6.8
138.09119	7.1
139.03908	7.7
139.06374	3.8
140.07033	7.2
146.06035	8.3
147.04384	8.5
148.07538	21.1
149.00555	6.2
149.02313	3.3
149.05948	38.9
149.08305	4.8
150.05545	17.4
151.03879	10.2
151.06291	9.4
151.08664	4.2
152.05721	12.3
152.07034	99.3
153.05478	20.7
158.06065	6.1
160.07559	10.0
161.07065	9.5
162.05412	19.8
162.09099	7.3
163.03864	6.6
163.07562	3.9
164.07085	43.1
165.07616	7.1
166.04999	12.0
166.08673	28.3
167.05748	9.5
167.07098	5.9
168.02382	6.7
168.04149	14.4
168.06526	9.6
175.03886	5.7
176.07043	27.3
176.69351	3.9
177.05502	8.8
178.03247	9.1
178.04890	7.2
178.08638	10.0
179.03954	4.0
179.08084	3.8
179.09068	5.8
180.06566	24.8
180.10223	3.8
182.08087	17.7
185.06802	4.7
189.06645	7.2
189.10234	17.8
190.04968	7.9
190.08659	6.5
193.09727	9.9
194.08118	86.2
195.06596	7.3
196.05951	5.5
207.06023	4.6
207.07967	11.9
207.11302	29.5
208.04245	19.7
208.06126	26.0
208.09689	17.2
208.11592	5.7
225.04614	4.7
225.06798	7.4
225.08916	48.3
225.12286	100.0
226.10706	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	225.1482
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.78032	2.0
55.05509	5.2
57.07063	7.2
59.46015	1.9
67.05488	8.6
69.07061	5.3
69.47569	8.7
69.47991	8.1
70.06570	2.0
70.79971	2.0
71.04990	4.9
79.05481	10.8
81.07053	16.1
83.04974	4.3
83.08625	3.8
85.02867	3.3
85.06527	3.9
86.09721	2.5
91.05473	14.9
91.06352	2.2
93.07038	8.6
95.04955	8.1
95.08619	10.1
97.06525	4.4
99.04427	8.0
101.95014	7.9
105.03390	8.4
105.07056	4.8
107.04955	5.5
107.08575	6.0
109.06514	8.2
109.10135	5.7
119.04946	5.9
119.08575	7.4
119.96060	6.5
120.05589	2.2
120.08090	2.4
121.10112	3.9
123.04431	4.0
123.08062	7.6
123.11698	3.7
127.07419	2.2
133.10091	2.6
137.06030	2.3
137.97083	6.1
139.03905	7.8
147.04436	5.7
147.11623	3.7
149.09607	3.0
155.98079	2.9
160.98679	6.1
165.09129	2.3
165.12732	3.3
167.10818	2.2
175.03880	5.7
177.09032	2.8
178.99789	4.4
183.11740	2.4
183.13849	2.2
192.04156	2.9
207.06407	11.1
207.13838	5.5
208.06090	2.2
225.04066	2.9
225.09099	5.5
225.12648	5.4
225.14847	100.0
226.09892	3.4
242.24847	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	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02373	0.7
53.03933	1.6
55.01858	2.1
55.05500	1.5
57.03385	0.6
57.07064	1.6
65.03934	4.2
67.05505	5.8
68.99760	0.6
69.03420	1.1
69.07047	2.3
69.69547	4.1
70.06575	2.4
71.04987	3.5
72.08159	0.7
76.03154	0.5
77.03909	1.5
79.05499	4.9
80.04961	0.7
80.06271	0.9
81.03409	2.3
81.07053	3.7
83.04964	2.3
83.06104	0.6
83.08609	1.1
84.04486	2.2
84.08140	3.1
85.02897	3.2
85.06520	1.5
86.09693	4.9
89.03928	2.9
90.04726	0.6
91.05475	64.4
92.05790	1.1
93.03374	1.2
93.07021	2.5
95.04465	0.8
95.04964	8.8
95.08577	2.4
97.06498	2.2
99.04440	3.5
103.05465	4.3
104.98639	0.5
105.03395	4.0
105.07022	4.9
107.04949	5.0
107.08592	2.9
108.05762	1.4
109.02886	0.7
109.06505	4.1
109.10147	2.0
111.04441	3.5
113.05979	0.7
117.06990	1.7
118.04150	6.7
119.04936	54.9
119.08585	7.0
120.05592	0.8
120.08099	4.1
121.01074	0.7
121.02847	2.1
121.06480	2.3
121.10134	2.4
122.03715	0.7
123.04411	6.6
123.08063	3.3
123.11710	3.0
125.05956	2.7
129.03384	1.5
129.04390	0.6
129.06850	0.6
131.04913	1.7
131.08517	0.8
132.02072	4.9
133.02841	3.0
133.10153	3.5
134.03607	0.9
134.05986	0.8
135.04416	4.3
135.08099	0.9
136.05190	3.5
136.31499	0.6
137.05952	3.7
137.09605	1.3
139.03860	2.0
139.07530	0.7
139.11223	0.6
140.04672	0.9
143.08539	1.9
145.02806	1.6
146.03595	2.1
147.04396	49.0
147.08057	3.1
147.11728	1.3
149.02341	9.9
149.05945	1.4
149.09624	2.0
151.03882	1.1
151.07509	1.6
153.05435	1.6
155.07002	1.9
157.03947	5.0
159.86432	0.6
161.09586	5.3
163.03859	2.0
163.11165	1.8
164.04715	7.0
165.05428	2.3
165.09105	3.1
165.12692	0.8
167.06972	1.0
171.08055	0.9
174.03110	1.7
175.03900	75.9
176.04414	2.1
177.01830	2.4
177.05223	0.6
179.07036	5.6
179.10622	1.7
180.04199	1.4
181.08597	2.8
183.06494	3.7
183.13789	0.9
189.09077	1.9
189.12770	1.2
192.04167	24.1
193.04997	4.8
197.07832	0.7
197.12968	0.8
207.06517	100.0
207.13795	2.2
208.04308	0.6
208.06837	2.8
225.04126	0.7
225.07375	3.0
225.11220	2.3
225.14821	2.6
233.05193	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	225.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	3.3
52.41702	2.9
53.03951	4.0
54.90420	2.8
55.05499	6.8
56.05025	9.7
58.06588	14.1
60.04522	11.3
67.05495	11.8
67.49194	3.2
68.05013	6.2
69.03411	4.5
69.07047	5.2
70.02912	3.9
70.06585	18.4
70.06907	3.2
71.13664	4.9
71.13984	3.9
72.04515	3.7
72.08143	17.7
74.06071	12.1
74.91843	3.3
79.05483	22.0
80.05007	7.9
81.04480	3.7
81.07062	7.9
82.06578	9.5
83.04980	5.2
83.06082	4.1
83.20734	3.1
84.04467	15.7
84.08142	46.7
85.02946	3.9
86.06090	5.1
86.09687	10.5
91.05476	33.4
93.07025	10.9
94.06563	14.8
95.04961	15.2
95.08578	3.8
96.04465	7.5
96.08099	10.9
97.06511	4.4
98.06036	4.3
103.05464	12.5
105.03382	12.1
105.07013	10.0
106.06557	14.6
107.04955	29.4
108.04461	4.5
108.08102	7.8
109.02874	3.5
109.06509	12.0
109.07636	3.7
110.06036	14.0
110.07126	4.3
111.04432	8.0
112.07601	4.7
112.08663	3.7
118.06548	4.5
119.04935	13.3
120.04464	3.5
120.08098	21.5
121.02830	3.8
121.06490	12.7
122.06004	19.8
123.04416	22.7
123.08048	5.7
124.03939	3.3
124.07600	9.6
125.05979	4.1
125.09602	4.3
126.05489	12.5
129.10207	18.6
130.06535	4.1
131.04907	8.0
132.04451	4.2
132.08070	4.3
133.02805	4.6
133.06488	6.3
134.06020	31.3
135.04407	24.8
136.03917	4.2
136.05150	2.9
136.06114	3.7
136.07571	19.1
137.05969	25.6
138.05472	6.8
138.09119	7.1
139.03908	7.7
139.06374	3.8
140.07033	7.2
146.06035	8.3
147.04384	8.5
148.07538	21.1
149.00555	6.2
149.02313	3.3
149.05948	38.9
149.08305	4.8
150.05545	17.4
151.03879	10.2
151.06291	9.4
151.08664	4.2
152.05721	12.3
152.07034	99.3
153.05478	20.7
158.06065	6.1
160.07559	10.0
161.07065	9.5
162.05412	19.8
162.09099	7.3
163.03864	6.6
163.07562	3.9
164.07085	43.1
165.07616	7.1
166.04999	12.0
166.08673	28.3
167.05748	9.5
167.07098	5.9
168.02382	6.7
168.04149	14.4
168.06526	9.6
175.03886	5.7
176.07043	27.3
176.69351	3.9
177.05502	8.8
178.03247	9.1
178.04890	7.2
178.08638	10.0
179.03954	4.0
179.08084	3.8
179.09068	5.8
180.06566	24.8
180.10223	3.8
182.08087	17.7
185.06802	4.7
189.06645	7.2
189.10234	17.8
190.04968	7.9
190.08659	6.5
193.09727	9.9
194.08118	86.2
195.06596	7.3
196.05951	5.5
207.06023	4.6
207.07967	11.9
207.11302	29.5
208.04245	19.7
208.06126	26.0
208.09689	17.2
208.11592	5.7
225.04614	4.7
225.06798	7.4
225.08916	48.3
225.12286	100.0
226.10706	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75518	0.8
55.05492	1.7
56.05036	3.5
57.07071	1.7
59.05477	0.8
60.04525	2.9
65.96679	1.0
67.05502	3.3
69.07079	1.5
70.06582	2.5
70.17191	3.8
71.04975	1.6
73.33766	1.0
76.56299	0.9
79.05485	2.5
81.07050	2.6
82.06600	1.0
82.99857	1.3
83.04975	1.4
83.46127	0.9
84.04491	2.6
84.08144	20.8
85.08457	2.4
85.71562	1.0
89.07130	1.0
90.72948	1.0
91.05474	2.0
95.04970	3.4
95.08601	2.8
97.07623	1.1
99.04425	1.3
100.02473	1.4
101.00869	8.5
105.03388	4.2
105.07038	1.8
106.62890	1.0
107.08624	1.4
109.06533	2.4
109.10176	1.4
111.04449	1.2
113.75319	0.9
118.03579	1.9
119.01919	65.9
119.04929	2.5
119.08575	1.8
120.02032	4.1
121.86697	0.9
123.08035	1.8
123.11726	1.5
125.06060	1.4
129.10231	6.3
130.08690	1.1
132.52357	0.8
133.10150	1.2
134.02954	1.2
134.99901	2.7
136.04538	2.0
137.02950	32.9
137.50983	1.3
138.03076	2.2
139.03906	3.4
141.05141	1.0
142.03470	12.0
143.03722	1.0
147.04401	1.3
147.11536	1.1
151.07559	1.2
153.00934	2.6
157.04591	1.1
158.99884	3.5
160.04520	6.6
161.02997	2.0
165.05267	1.8
170.45668	1.1
176.02518	1.3
176.04036	1.7
177.00949	100.0
178.01031	13.9
178.03816	1.5
178.94180	1.8
179.00725	5.7
179.03995	5.2
179.10715	1.0
182.99944	1.5
183.01376	1.1
183.06282	2.1
184.04543	4.0
184.06161	1.1
193.04169	1.3
195.02023	2.4
200.02493	2.7
201.00896	3.1
201.02501	4.8
201.07274	1.2
202.02821	2.1
202.05362	4.6
203.03940	1.0
207.06474	1.9
217.04077	8.2
218.03864	1.9
219.01982	71.2
219.94412	2.9
220.02071	22.3
221.01959	3.8
221.05164	1.0
225.00896	3.4
225.02634	1.9
225.04431	2.8
225.09341	1.7
225.14915	1.8
227.04012	2.9
237.95596	2.6
242.03577	5.7
242.95915	1.6
243.01822	9.3
243.03600	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	224.0915
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
50.73585	0.3
56.05017	0.8
60.04505	0.6
65.93610	0.4
68.04990	0.4
70.06577	0.6
71.56424	0.5
72.08153	1.1
73.90467	0.4
79.05473	0.4
84.04501	0.7
84.08133	2.7
86.09689	1.6
91.05469	2.3
97.63479	0.4
105.07061	0.5
110.07149	0.4
115.05428	1.4
118.06580	0.6
119.04955	2.0
123.04417	0.6
124.03809	0.4
129.10217	1.7
130.08586	0.4
132.08131	0.5
133.06514	0.6
135.04410	1.7
136.07593	0.6
137.05971	12.4
142.30577	0.4
143.04909	2.9
145.06465	0.7
146.05966	0.4
147.11252	0.6
148.04803	0.5
149.05984	0.7
150.65019	0.5
151.07509	0.4
152.07016	0.6
160.07567	0.9
161.05978	6.2
163.06326	1.5
164.07076	3.9
165.07660	0.5
176.07076	0.4
177.05470	0.5
178.08632	100.0
179.06999	1.6
179.08893	2.0
188.09137	0.4
192.06453	0.6
194.08147	0.6
206.08186	1.2
207.06567	1.5
224.09189	27.5
224.10912	1.1
225.09380	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	225.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01857	0.8
55.05500	0.9
55.97520	0.3
56.96531	0.4
57.07070	0.5
58.15776	0.4
65.03922	0.4
67.05489	1.6
68.04994	0.4
69.03416	0.7
69.07058	1.1
70.04234	1.8
70.06599	1.8
71.04988	1.2
72.08141	0.9
79.05497	1.9
81.03407	0.6
81.07052	2.0
83.04960	0.9
83.08601	0.8
84.04510	0.7
84.08128	1.7
85.02872	0.8
85.06533	0.7
86.09705	0.9
91.05470	4.2
93.07021	1.3
95.04966	3.2
95.08601	2.0
97.02884	0.6
97.06535	0.5
98.98452	0.6
99.04446	1.1
103.05438	0.5
105.03376	2.0
105.04510	0.4
105.07043	1.1
106.06543	1.4
107.04935	1.3
107.08575	1.3
108.05659	0.4
109.06511	1.0
109.10127	0.9
110.06005	0.5
110.07148	0.6
111.04410	0.4
117.07110	0.4
119.04960	3.0
119.08583	1.6
120.05672	0.7
120.08083	1.3
121.01097	3.8
121.10122	0.7
122.06004	0.9
123.02621	1.3
123.04449	3.0
123.08039	0.8
123.11687	0.8
123.27287	0.3
125.05963	0.5
127.03953	0.6
128.06242	0.5
129.10184	0.9
130.04141	0.7
130.06511	0.5
132.04424	0.4
133.05219	2.6
133.10106	0.7
134.01938	0.4
134.05995	4.9
135.02682	2.2
135.06821	2.3
135.07808	0.5
136.07574	2.5
137.05966	1.3
138.03716	1.7
139.02135	3.4
139.03876	1.8
139.27177	0.4
140.04642	0.8
146.06032	3.2
146.43097	0.4
147.04346	2.0
147.06804	7.5
147.07941	0.8
147.11626	0.7
149.00558	35.3
149.05904	0.5
149.09584	1.1
150.00844	0.5
151.02133	2.6
151.03922	0.5
151.07570	0.6
152.05254	0.6
153.03670	2.0
155.07031	1.8
161.09595	0.5
161.13220	0.6
162.03748	2.2
162.05475	1.6
163.02133	3.1
163.11151	0.7
165.02263	0.5
165.05435	1.2
165.09132	1.0
165.12762	0.6
166.03224	14.0
167.10512	0.5
175.03928	2.2
179.03754	0.5
179.06960	0.5
180.04784	14.0
180.56456	0.9
183.06522	2.6
189.12778	0.5
190.03189	0.5
192.04172	0.7
202.08710	0.5
207.03020	0.5
207.06451	2.5
207.11343	0.4
207.13730	0.7
208.04263	100.0
209.04581	1.4
210.13339	0.4
216.08372	1.5
225.04259	1.7
225.07013	2.4
225.09111	0.6
225.12469	1.1
225.14888	1.3
227.04025	1.1
229.02005	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	223.2055
Annotation	Nerolidol
Peak:m/z	Relative Intensity
51.85408	1.6
55.01853	3.0
55.05509	28.7
56.92704	1.6
57.07076	12.3
58.36587	1.5
65.32958	1.7
67.05501	28.9
69.03442	2.0
69.07061	32.7
70.06583	5.4
70.80081	6.4
71.04984	27.0
71.08618	4.4
79.05485	19.9
81.07051	100.0
82.07362	2.1
83.04967	6.1
83.08619	18.9
85.02896	2.2
85.06538	3.5
85.10179	4.1
91.05463	7.9
93.07039	33.0
95.04952	10.0
95.08601	87.4
97.06509	4.6
97.10147	8.0
99.08082	21.7
100.47127	1.7
103.08459	1.8
105.07020	7.2
107.04928	5.5
107.08585	35.1
109.10151	52.5
111.04440	2.3
111.08080	4.2
111.11716	3.9
112.80658	1.8
113.09644	6.7
114.18940	1.9
115.97449	1.8
119.08556	4.3
121.06511	5.9
121.10130	29.4
123.08016	2.2
123.11686	33.9
125.09660	2.9
127.11172	10.8
133.10133	2.2
135.04417	3.6
135.08081	4.4
135.11682	37.8
137.05975	3.0
137.09612	2.5
137.13248	60.5
139.07573	2.1
139.11172	3.4
141.12723	8.2
145.10112	3.5
149.02328	14.6
149.09656	2.4
149.13257	67.7
153.12718	4.2
159.11679	3.9
162.03073	5.0
163.03909	5.1
163.07553	2.6
163.11156	5.0
163.14821	6.2
165.09059	2.4
177.05458	4.0
177.09219	1.8
177.12794	2.0
181.08600	3.4
190.02585	3.7
205.08510	2.1
205.12286	4.5
205.16011	4.5
205.19507	63.1
208.03754	2.4
223.05939	18.5
223.11340	4.2
223.13272	9.6
223.15100	2.8
223.16934	9.7
223.20540	28.6
224.09128	2.5
225.04269	12.7
225.47234	2.3
227.02184	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	223.9721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33169	19.8
57.00125	17.9
64.69367	17.2
68.63425	18.0
69.47121	17.4
70.09007	69.1
75.36134	21.5
86.09698	40.2
94.70916	19.6
94.92980	44.8
164.17401	20.5
164.95329	32.3
174.24234	21.4
178.19435	18.2
208.25447	19.7
223.97191	100.0
224.02734	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	224.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41995	0.4
61.02913	0.7
61.30009	0.4
65.03925	0.5
65.78759	0.4
70.06589	0.7
70.51398	0.4
71.50694	0.6
71.94106	0.6
72.08133	0.9
74.06071	0.5
81.03410	0.4
81.07055	0.5
84.08127	1.7
86.09681	1.2
91.05455	2.4
95.04947	0.6
108.04510	0.5
115.05453	1.1
118.06517	0.4
119.04936	2.5
124.45860	0.4
129.10239	1.2
132.08054	0.4
133.06485	0.7
135.04382	2.0
136.07582	1.1
137.05980	12.3
137.16315	0.4
143.04900	2.4
145.06461	1.0
146.06033	0.7
149.04799	0.5
149.06017	0.9
150.05478	0.7
150.07832	0.4
150.09123	0.7
151.07487	0.5
160.07578	0.7
161.05962	5.4
161.13701	0.4
163.06255	1.7
164.07062	6.2
175.98732	0.5
177.05498	0.8
178.08626	100.0
179.07051	1.6
179.08923	1.2
180.10252	0.5
189.05518	0.6
192.06554	1.3
206.04451	0.5
206.08110	1.2
206.11789	0.5
207.06491	2.3
224.09174	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	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03941	0.6
55.01869	1.2
55.05512	3.9
57.07065	0.4
65.03936	1.0
67.05503	5.7
69.03426	0.5
69.07069	3.8
70.06559	0.3
70.65720	0.8
71.04990	1.7
79.05490	5.2
81.03420	3.7
81.07054	9.7
83.04970	1.6
83.08624	1.9
85.02906	2.4
85.06548	0.6
87.04434	0.3
91.05473	5.0
93.07036	4.8
95.04965	100.0
95.08604	5.2
96.05299	1.1
97.06519	1.3
99.08109	0.4
103.05452	0.4
105.07029	3.0
107.04950	1.4
107.08598	2.8
109.06515	3.1
109.10176	0.5
111.04427	0.3
111.08079	0.4
115.05460	0.3
117.07030	2.4
119.08572	3.4
121.06493	2.6
121.10132	2.0
123.08069	2.6
125.05962	0.3
128.06258	0.4
129.07016	0.9
130.07803	0.4
131.08568	1.3
133.10135	1.0
135.04472	0.3
135.08060	1.3
135.11679	3.0
137.06012	0.3
137.09651	0.4
141.06989	0.5
141.09117	0.3
143.08548	0.8
145.06479	0.5
145.10126	5.6
147.08054	3.3
149.02324	1.7
159.11667	1.9
161.09634	0.8
162.03087	0.4
163.03842	0.3
163.11179	12.5
164.11606	0.4
165.09091	0.3
169.10144	1.0
173.13287	0.3
177.12720	1.5
181.12431	0.3
187.11221	1.7
205.12224	1.8
208.03668	0.4
223.02534	0.3
223.05986	1.7
223.13287	4.2
223.16933	1.0
223.20566	0.3
225.04288	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	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.64510	2.1
53.03939	2.8
55.01854	7.0
55.05511	17.1
56.96564	2.7
57.07061	8.4
60.01617	2.3
65.03943	4.5
67.05501	82.6
68.45573	2.2
69.07066	16.1
70.06564	3.1
70.36050	2.3
71.04969	6.3
71.08675	2.7
71.09080	5.7
79.05490	57.3
81.07053	76.9
81.07534	4.1
83.04978	7.4
83.08604	7.0
85.02873	2.5
85.06537	5.2
87.82626	2.2
91.05489	25.0
93.07042	100.0
95.04965	32.6
95.08605	73.0
97.06523	6.8
103.05473	2.8
105.07030	18.7
107.04942	6.2
107.07883	4.5
107.08592	78.5
107.09316	4.8
109.06491	7.0
109.10153	42.4
111.05511	2.8
111.08096	5.0
117.06993	6.5
119.08569	9.0
120.25233	2.1
121.06512	11.4
121.10140	53.5
123.08061	7.8
123.11722	12.2
125.05892	2.8
125.09602	4.5
127.07529	2.5
131.08578	15.4
133.10097	7.5
135.04495	3.3
135.08060	21.8
135.11708	13.6
137.05902	3.2
137.09546	3.3
139.07547	4.9
145.10101	15.3
149.02333	18.0
149.09639	21.8
153.09093	7.1
153.10213	3.1
159.11647	4.8
161.09622	33.6
161.13240	8.3
162.03160	5.0
163.03883	5.0
163.07620	2.1
163.11166	12.9
163.14815	52.8
167.10669	7.0
177.00662	3.0
177.05403	3.0
177.09181	2.3
177.12798	4.9
177.16418	9.1
181.12236	3.7
187.14774	17.3
190.02608	8.0
196.13705	2.4
205.12216	4.9
205.15869	25.1
208.03641	4.8
223.02472	3.2
223.05940	20.2
223.07898	2.4
223.11342	5.1
223.13292	10.0
223.16803	44.0
223.18578	2.5
223.20352	3.6
225.04314	12.2
227.02184	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	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03927	5.2
55.01867	3.3
55.05512	18.4
57.03423	2.8
57.07061	3.5
59.04993	2.2
65.03928	2.3
67.05500	16.6
68.03815	1.4
69.03429	11.5
69.07071	13.6
70.06561	4.7
70.36153	3.0
70.36575	5.3
71.04976	6.1
71.08609	5.7
72.08144	1.9
79.05488	22.7
81.03416	2.9
81.07049	27.5
83.04974	34.8
83.08597	7.3
84.08125	5.0
86.09726	3.3
91.05481	24.6
93.07039	95.9
95.04948	14.4
95.08605	27.9
97.06541	9.1
99.08064	5.1
103.05455	2.8
105.07043	15.4
107.04959	7.6
107.08592	65.2
109.06508	20.5
109.10136	5.6
109.39296	1.7
111.04435	11.1
111.08078	13.6
117.07028	8.1
119.08585	18.8
120.08098	6.9
121.06497	30.1
121.10133	22.9
123.04399	3.2
123.08070	18.3
123.11696	2.0
125.05981	7.3
125.09621	3.0
129.07010	1.7
131.08534	9.1
133.06432	2.1
133.10118	10.5
135.04456	3.4
135.08049	22.1
135.11685	71.9
135.12727	3.7
137.05972	4.2
137.09610	26.8
137.13191	2.0
139.03899	8.2
139.07532	24.0
141.05458	4.5
143.08556	1.9
144.09303	3.8
145.10124	9.1
147.08038	3.5
148.08769	1.9
149.02324	4.6
149.05972	14.5
149.13266	16.3
151.07535	4.3
153.05447	12.3
153.09091	4.4
153.12782	3.2
159.11691	28.6
161.09563	2.3
161.13301	3.5
162.02983	1.6
163.03902	1.9
163.07553	17.5
163.11165	42.0
165.09087	1.8
167.07063	7.7
167.10799	1.9
177.12738	79.0
179.14272	2.9
181.08589	49.8
181.12195	5.3
187.11136	6.4
190.02591	2.4
193.96152	1.5
195.13770	10.5
205.12233	51.0
223.05965	7.0
223.13266	100.0
224.13716	2.7
225.04230	4.9
227.02049	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	223.1327
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02358	2.0
53.03941	60.2
55.01873	11.5
55.05503	12.6
55.05722	2.0
57.07069	4.1
61.98613	2.0
65.03946	4.1
67.05501	65.7
69.03411	4.9
69.07066	18.7
70.06557	5.0
70.43642	7.8
71.01338	2.6
71.04964	7.4
73.06541	1.8
79.05489	40.3
81.03413	100.0
81.07050	81.8
83.04972	13.0
83.08611	4.1
85.02908	3.3
85.06523	3.6
91.05474	30.5
93.07039	43.7
94.06570	1.9
95.04951	27.5
95.08596	40.9
97.06509	7.0
99.04399	1.9
103.05449	4.5
105.07019	23.1
107.04947	27.7
107.08592	17.3
109.06499	7.8
109.10130	7.8
111.04397	2.0
111.08061	6.3
117.07003	16.6
119.08630	4.1
121.06489	15.6
121.10128	8.2
123.04372	2.5
123.08059	32.7
129.07002	2.2
131.04929	3.1
131.08540	17.1
133.06473	2.2
133.10094	7.7
135.04408	3.7
135.08040	6.6
135.11668	21.0
137.09596	2.9
139.07520	2.9
141.06956	8.7
145.06500	15.1
145.10107	7.2
149.02324	16.8
149.13235	8.2
154.07741	2.8
159.08061	4.5
159.11705	16.2
162.03075	2.0
163.04002	2.8
163.11156	6.1
163.14731	3.5
164.07036	1.9
169.10149	6.1
175.11322	2.2
177.12737	7.4
181.12148	2.3
187.11215	11.1
190.02562	6.5
205.12213	6.1
205.15880	2.5
207.02914	2.4
208.03668	4.1
223.05939	27.1
223.11359	4.5
223.13252	11.0
223.16904	8.4
223.20541	2.1
224.09026	2.7
225.04269	8.8
227.02171	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	223.1077
Annotation	Phe Gly
Peak:m/z	Relative Intensity
55.01863	0.3
55.05505	0.3
56.05029	0.2
57.07066	0.2
60.04514	0.5
60.05636	0.2
67.05499	0.4
69.03413	0.1
69.07059	0.4
70.06601	1.1
71.25990	0.2
71.26327	0.2
72.08147	0.7
76.03997	0.2
77.03922	0.2
79.05482	0.3
82.06596	0.2
83.05000	0.3
84.04498	0.3
84.08135	1.6
85.02892	0.2
86.09693	1.1
87.27011	0.2
91.05460	1.0
93.07044	2.4
95.04955	0.4
97.06497	0.2
103.05466	6.2
105.07025	0.4
107.04963	0.6
107.08546	0.3
109.06546	0.2
109.10139	0.2
111.04436	0.2
111.08079	0.3
118.06548	0.3
120.08099	100.0
121.02874	0.3
121.06527	0.3
121.08482	1.1
121.10134	0.4
122.06048	0.1
125.05952	0.2
129.10260	0.9
131.04976	0.3
131.08586	0.2
132.04388	0.2
135.04396	0.4
135.08025	0.3
137.06001	0.3
139.07553	0.2
147.04382	0.2
148.06322	0.2
149.02347	1.2
149.05943	0.2
149.08270	0.1
149.09579	0.2
159.11569	0.3
160.07584	0.3
162.03117	0.2
163.03925	0.4
163.07434	0.2
163.11169	0.3
164.07085	0.4
166.08655	1.0
177.10315	0.2
177.12732	0.2
178.03215	0.5
178.04823	0.2
178.08673	1.0
190.02652	0.2
191.03366	0.2
191.07091	0.2
205.12199	0.3
206.02728	1.0
206.08185	0.2
209.01215	0.2
223.02406	0.3
223.05956	1.6
223.10863	1.3
223.13289	0.4
223.15054	0.2
223.16940	0.6
224.03676	0.2
224.09181	0.4
225.04297	3.9
226.04343	0.2
227.02203	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	223.1326
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
55.01868	6.3
55.05510	28.1
57.03413	5.8
59.04996	4.8
67.05515	11.1
69.03429	9.8
69.07058	13.4
70.06568	2.7
71.02798	4.1
71.04999	5.2
72.08131	3.2
77.13025	1.8
79.05479	8.7
81.03407	7.9
81.07031	7.3
83.01329	4.0
83.04972	19.2
84.08128	6.5
85.02899	52.7
85.06534	4.7
86.09704	6.7
91.05479	15.6
91.66446	2.4
92.61782	1.9
92.99077	2.0
93.07043	36.8
95.04963	14.0
95.08583	13.9
95.44214	1.9
97.06515	5.0
97.10166	23.0
101.05997	3.0
103.05448	2.9
105.07014	12.0
107.04916	5.5
107.08595	19.2
109.06494	10.4
109.10117	5.2
111.08062	7.5
113.05978	2.3
117.07030	7.6
119.08559	14.4
121.06499	44.4
121.10117	12.0
121.10895	2.1
123.08045	16.1
125.06008	3.4
127.07523	2.5
131.08551	5.5
133.10117	18.5
135.04259	3.5
135.08060	13.5
135.11691	14.0
137.06017	3.0
137.09593	6.5
139.07523	9.1
145.10120	10.2
146.03499	4.3
149.02303	3.7
149.06029	2.4
149.09616	32.4
149.13242	3.7
151.11162	5.1
159.11694	21.5
161.09610	8.7
163.07607	2.3
163.11151	15.5
164.04510	2.2
165.09084	6.5
167.07048	6.0
172.08844	3.5
177.07449	2.0
177.12740	25.5
179.10654	6.8
179.59679	2.1
181.12283	2.7
187.11122	5.8
192.04016	3.5
195.13835	6.0
205.12216	34.0
223.06047	5.0
223.13286	100.0
224.13710	3.4
225.04294	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	223.1075
Annotation	Gly-L-Phe
Peak:m/z	Relative Intensity
54.44001	4.4
56.05033	13.7
60.04539	5.9
60.05647	8.8
67.05504	10.2
68.05025	12.7
69.07059	10.8
70.02965	6.9
70.06604	55.6
71.04988	5.9
71.50193	7.4
72.08163	18.6
74.06089	5.3
79.05489	8.7
80.04974	5.8
82.06580	8.3
83.02417	5.0
83.96737	4.8
84.04504	18.4
84.08136	52.8
86.09706	42.2
88.03973	6.2
91.05463	31.4
93.07046	6.3
94.06561	10.8
95.04993	12.0
95.06126	4.9
96.04504	7.4
103.05465	7.2
105.07003	5.5
106.04183	5.6
107.04963	11.6
109.06516	6.9
110.06034	8.1
110.07197	8.0
116.07137	6.7
117.53841	5.2
118.06546	17.7
119.04948	15.4
120.08096	13.7
121.06489	15.2
122.05988	12.3
123.04456	14.9
124.05227	7.2
129.10207	26.0
130.06525	9.1
130.08638	7.9
131.01921	10.3
131.04938	11.0
132.04439	8.2
133.06467	5.5
134.05991	55.7
135.04401	10.1
136.05206	14.0
136.06671	4.9
136.07558	29.8
137.05954	29.2
140.04697	4.8
145.07576	7.4
145.10007	5.0
145.61890	4.9
146.05995	38.7
147.04436	20.3
147.11319	7.9
148.07530	7.7
149.02367	6.2
149.06006	26.1
149.07085	5.9
150.05496	13.9
151.06296	58.9
152.04674	8.4
152.07097	15.4
154.06288	5.4
160.07597	8.6
161.05965	8.1
162.05505	8.5
162.09061	6.9
163.08705	6.4
164.01547	6.0
164.07069	49.7
165.05493	34.8
165.07834	14.7
173.07115	6.4
174.05518	7.0
175.11896	11.0
176.07068	46.7
178.08661	34.7
180.06552	6.7
181.04288	6.9
183.08894	22.6
188.06990	10.5
191.08122	34.5
192.06528	42.7
194.08154	12.0
200.04114	8.1
205.09726	19.6
206.08170	11.8
223.05739	7.0
223.10799	100.0
223.14516	6.4
224.09215	32.6
225.04225	30.4
227.02148	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	222.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.6
70.42865	10.7
71.01817	2.6
71.07362	15.7
75.21940	3.1
78.77285	2.7
86.09706	100.0
89.38248	2.9
99.25045	3.2
156.97456	5.9
162.95595	55.6
174.98523	11.9
216.99608	3.8
222.03008	60.1
222.98743	11.0
230.43214	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	222.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64969	7.8
55.05507	10.5
56.05017	24.9
67.05487	19.5
69.03420	14.2
70.06578	15.3
71.58606	12.9
74.06075	69.3
76.02202	24.4
76.03970	8.5
79.05501	19.6
80.04992	9.1
83.04943	13.0
84.04503	61.0
84.08113	28.3
85.02898	16.6
86.06042	11.0
86.09689	23.1
90.04660	8.7
94.06577	11.5
95.01309	21.6
95.04984	20.3
97.02915	50.8
98.06048	12.3
107.04927	51.1
110.05973	10.2
111.08057	11.6
113.02371	45.6
113.90388	9.0
121.06480	33.6
123.00771	34.1
123.04432	16.6
125.02380	12.2
127.92862	9.6
129.10249	12.8
130.04974	16.9
135.04390	41.3
136.05199	45.0
137.05965	24.6
141.01802	30.3
143.03394	46.5
149.00569	13.5
149.02292	16.8
150.05547	8.8
151.02109	10.8
156.97430	14.5
162.02100	8.9
162.05467	22.1
164.07011	9.0
168.02379	20.6
169.01324	52.9
169.03217	8.8
174.98491	20.4
176.07068	94.0
176.15285	8.4
186.10092	8.7
187.02379	27.8
187.38037	12.0
194.16002	10.9
204.06546	13.5
204.08557	11.2
204.10278	17.5
207.13733	11.9
222.05870	11.7
222.07628	38.9
222.09506	18.6
222.11482	29.1
222.15628	14.0
223.05952	18.6
225.04326	100.0
227.02158	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	3.9
55.01871	6.8
55.05516	18.3
56.96545	3.0
57.07072	7.7
65.03932	4.0
67.05505	24.3
69.03427	4.8
69.07069	25.4
69.95441	7.3
69.95853	6.6
71.04993	27.1
79.05492	42.7
81.03382	2.8
81.07057	89.2
83.04983	6.2
83.08608	8.6
84.08132	5.6
85.06534	5.2
91.05468	26.8
93.07043	57.0
95.04961	9.4
95.08613	51.4
97.06540	12.3
99.08086	5.7
103.05473	3.8
105.07027	68.3
107.04944	4.5
107.08598	79.3
109.06497	9.6
109.10152	36.6
111.08062	6.5
113.09706	2.7
113.20519	2.1
115.05441	5.5
117.07019	4.9
119.04941	2.8
119.07711	3.9
119.08578	75.9
120.08133	2.9
120.08902	3.0
121.06491	6.9
121.10144	17.3
121.64917	2.8
123.08084	14.5
123.11685	21.1
123.86935	2.1
125.09651	2.7
127.11189	5.7
129.07008	4.2
131.04843	3.9
131.08597	6.1
133.06505	10.5
133.10153	30.6
135.08061	5.4
135.11687	100.0
137.05968	10.5
137.09619	8.4
137.13239	3.2
143.08604	2.7
145.10104	5.7
146.03525	2.8
147.08051	5.4
147.11688	37.9
149.13301	12.1
151.07539	4.0
151.11250	4.2
153.09108	2.4
156.07672	2.2
157.10060	2.7
158.41769	2.6
159.11687	4.9
160.05193	3.1
161.05934	15.1
161.09625	6.4
161.13271	29.9
162.05472	2.8
163.03940	3.2
163.14822	7.3
165.05515	3.8
165.09077	4.5
165.12769	2.6
175.03925	2.8
175.11195	6.3
175.14815	11.6
177.16470	3.8
179.10751	2.7
185.13228	3.2
189.05438	4.3
190.05931	2.3
193.08630	7.8
193.15947	3.1
203.10811	5.1
203.14340	9.1
203.17947	40.7
206.05618	5.0
206.16193	8.7
221.04382	8.5
221.08087	11.7
221.09886	6.7
221.11716	12.8
221.15536	17.8
221.19034	62.8
222.11162	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	4.4
53.18046	1.7
55.01866	6.5
55.05508	17.7
56.96560	2.0
57.03446	2.1
57.07067	6.9
59.04988	2.5
65.03946	2.2
67.05500	26.9
69.03416	4.0
69.07068	21.0
70.02628	1.5
70.06608	2.1
71.04604	2.7
71.04967	30.1
73.06550	1.7
79.05490	31.2
81.03400	3.1
81.07050	85.9
83.04975	5.6
83.08617	6.7
84.08107	1.9
85.06538	3.5
91.05464	27.5
93.07040	53.0
93.07652	2.5
95.04977	5.8
95.08603	44.2
95.09185	3.4
97.06541	9.7
97.10199	2.1
99.08088	5.9
103.05470	3.4
105.03388	2.5
105.07024	57.9
107.04945	4.8
107.08589	70.0
109.06533	6.8
109.10156	36.3
111.08104	4.9
111.11763	2.3
113.09650	2.5
115.05416	3.6
117.07034	3.2
119.04900	3.0
119.07705	3.3
119.08571	67.4
120.08086	2.9
121.06511	7.1
121.10127	16.3
121.10963	2.0
123.08070	13.4
123.11694	23.0
125.09676	3.1
127.11187	8.4
128.11559	1.6
129.07036	3.0
131.04918	5.1
131.08562	3.8
133.06512	10.6
133.10115	34.0
135.08063	4.6
135.11684	100.0
137.06013	6.8
137.09642	7.0
137.13231	4.1
143.08553	2.9
145.10147	6.4
147.04370	2.8
147.08063	2.7
147.11687	30.5
149.09605	1.7
149.13281	10.9
151.07565	2.7
151.11211	7.2
153.09158	2.3
157.10194	4.1
158.69473	1.6
159.11668	3.9
159.59720	1.8
161.05957	9.2
161.09627	5.0
161.13248	26.3
163.11139	2.7
163.14833	5.8
165.09059	2.7
165.12790	2.6
167.03424	1.7
175.07529	4.6
175.11217	5.5
175.14854	9.7
177.16420	2.4
179.14346	2.3
185.13216	3.5
189.05482	4.1
193.06950	2.8
193.08435	9.8
193.15939	4.8
203.10709	4.5
203.14320	8.3
203.17935	39.9
203.19740	2.8
206.05835	2.4
206.16284	7.4
215.96869	1.6
221.04462	4.8
221.07939	9.9
221.11664	7.9
221.15530	19.0
221.19029	61.3
222.11232	2.1
222.19179	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.26974	1.0
53.03928	2.9
55.01865	1.8
55.05505	20.1
57.07084	8.4
59.04986	2.1
59.21735	1.1
65.03944	1.4
67.05140	1.8
67.05502	29.0
69.03437	2.1
69.07064	30.4
69.39724	2.1
69.40131	8.0
71.04988	7.6
79.05489	16.0
81.03434	1.3
81.07054	57.8
83.04973	7.9
83.08620	19.0
85.06533	6.0
85.10187	1.8
91.05463	18.3
93.07042	33.4
95.04962	4.8
95.08607	70.3
97.06509	5.1
97.10175	8.0
98.97605	3.0
99.08091	1.9
103.05476	1.2
105.07021	46.6
106.07286	1.1
107.04977	1.7
107.08587	54.8
107.09320	2.8
109.06516	8.1
109.10149	47.5
111.08060	8.7
111.11728	2.3
113.09619	2.4
115.05437	1.6
116.98614	2.0
117.06973	2.4
118.95803	1.3
119.08580	47.7
121.06497	3.3
121.10146	28.8
123.04414	2.1
123.07256	1.2
123.08025	5.6
123.11703	17.0
125.09606	12.5
129.06955	1.4
130.20808	1.2
131.04919	1.4
131.08549	3.7
133.06476	3.6
133.10132	33.6
134.99635	1.4
135.08064	2.1
135.11700	11.3
137.05989	4.9
137.09610	6.9
137.13278	3.3
139.11195	3.8
143.08524	2.2
145.10098	4.1
145.60983	1.2
147.08049	3.0
147.11688	48.4
149.05988	1.2
149.13263	6.0
151.11191	7.5
151.14760	1.6
153.12758	2.0
157.10153	2.3
159.11708	4.3
161.05960	5.7
161.09613	3.8
161.13246	31.0
163.14813	15.7
165.09125	3.3
165.12804	8.2
167.03490	1.5
175.02672	1.2
175.07510	1.6
175.11232	2.8
175.14833	19.2
177.16365	10.4
179.10625	2.1
179.14249	1.8
185.13242	3.0
191.08588	1.3
193.08653	1.7
193.15962	2.0
203.07106	1.8
203.14308	4.3
203.17946	100.0
205.14999	2.1
206.05782	1.8
206.16272	4.4
221.04436	5.2
221.08049	6.1
221.09976	2.2
221.11786	4.9
221.15530	16.8
221.19008	73.2
222.07736	1.4
222.11227	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.64802	2.5
52.82333	2.7
53.03936	5.1
55.01865	2.6
55.05510	17.6
56.96561	3.4
57.07061	8.1
59.98660	2.6
67.05505	44.5
69.03425	5.7
69.07066	45.4
70.78454	3.2
71.04992	25.1
71.51384	3.8
73.02939	2.5
79.05484	27.7
81.03419	4.6
81.06597	5.7
81.07055	100.0
83.04976	8.3
83.08620	8.3
85.06529	8.1
91.05470	28.8
93.07043	51.0
95.04988	15.0
95.08607	71.7
97.06529	10.9
97.10149	4.4
99.08083	3.3
103.23158	2.8
105.07030	56.6
105.52621	2.9
107.04960	6.2
107.08591	61.5
107.44232	2.6
109.02868	3.9
109.06516	13.0
109.10155	41.8
111.08129	6.5
113.09627	6.8
117.06958	3.9
119.08570	56.8
120.08084	3.7
121.06501	11.6
121.10129	21.0
123.08071	6.3
123.11715	28.4
125.09646	4.0
127.11222	3.5
131.08458	2.6
133.06438	4.5
133.10127	29.0
134.10887	2.6
135.08034	3.8
135.11687	57.5
137.00027	2.6
137.05977	10.5
137.09612	7.2
137.13234	4.1
139.11218	6.2
143.08606	3.4
145.10136	4.8
147.08078	5.2
147.11693	31.2
149.02426	3.3
149.13284	7.4
151.03937	3.6
151.07541	5.1
151.11147	7.8
153.09055	3.4
157.10080	5.5
159.11726	5.2
160.12363	2.6
161.05971	3.4
161.09653	3.9
161.13268	24.0
163.14859	5.3
165.05524	3.1
165.12746	5.1
175.11172	6.7
175.14830	8.1
179.07072	2.7
179.10631	3.4
195.42317	2.9
203.10678	5.9
203.14218	4.7
203.17938	34.7
205.14842	3.3
206.16176	14.6
221.04381	8.9
221.07961	7.6
221.09906	5.9
221.11725	10.6
221.15361	28.2
221.19051	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.19714	0.8
53.00291	1.3
53.03928	2.1
55.01868	1.3
55.05511	13.8
56.96558	0.8
57.03423	0.9
57.07077	4.7
59.04989	1.2
65.03931	1.2
67.05505	13.5
69.03417	1.8
69.07071	13.6
70.06572	1.0
70.07384	0.9
71.04990	21.0
71.08630	0.7
71.58095	0.9
72.93519	0.7
73.06564	1.1
79.05489	20.1
81.03416	1.5
81.07053	65.3
83.04996	5.1
83.08618	5.6
84.04532	0.8
84.08137	1.1
85.02924	1.1
85.06547	3.6
86.09680	0.8
91.05474	19.4
93.07042	39.5
95.04961	4.2
95.08605	27.9
97.06527	3.3
97.10164	3.8
99.08080	4.0
103.05433	1.9
105.07032	34.5
107.04966	2.5
107.08588	59.3
108.90498	0.9
109.06489	4.3
109.10155	26.2
111.08064	3.4
111.11755	1.1
113.09641	2.2
115.05435	1.3
117.07007	3.6
119.08579	49.2
120.08096	1.8
121.06503	2.3
121.10136	11.4
123.08067	3.4
123.11702	17.7
125.09640	1.5
127.11194	6.9
131.04941	1.5
131.08585	2.5
133.06483	4.3
133.10127	25.0
135.08072	2.1
135.11688	100.0
136.12003	1.9
137.05984	3.6
137.09622	5.0
137.13261	3.4
139.11185	1.3
143.08502	0.8
145.10133	3.0
146.03641	1.0
147.04396	1.3
147.08060	2.4
147.11693	22.4
149.13264	9.8
151.07526	0.9
151.11176	3.4
151.14885	0.8
157.10146	1.3
159.11708	3.0
160.05209	1.5
160.12468	1.3
161.05963	4.9
161.09624	3.0
161.13258	20.1
163.07578	1.2
163.14845	5.8
165.09044	1.7
165.12770	2.7
175.07512	1.9
175.11212	2.9
175.14804	6.0
177.12796	0.9
177.16397	2.2
179.14233	1.1
181.21587	0.8
182.21716	0.8
185.13199	1.2
189.05444	1.9
193.08617	2.7
193.12213	0.9
193.15877	1.5
203.10754	1.8
203.14427	3.9
203.17961	38.7
204.18448	1.0
205.14948	0.9
206.16246	2.2
221.04410	2.2
221.08144	4.3
221.09938	3.1
221.11891	4.4
221.15593	8.6
221.19012	49.6
222.11368	1.2
222.19398	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	221.1172
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03947	5.5
55.01873	5.3
55.05510	34.3
57.03419	5.8
57.07062	6.6
58.05595	2.6
65.03941	4.1
67.05501	22.3
69.03429	27.0
69.07071	26.9
70.06580	7.7
71.04984	6.4
79.05499	26.2
81.07051	35.1
83.04988	29.0
83.08634	5.4
84.08142	30.4
85.02901	4.8
86.09689	5.5
91.05471	44.9
91.05955	4.3
93.07047	44.1
95.04966	15.2
95.08611	26.6
97.02850	4.1
97.06535	5.5
103.05453	22.8
105.07030	49.4
106.06525	3.3
107.04947	10.3
107.08592	46.0
108.05763	4.6
109.02890	3.9
109.06567	14.3
109.10161	15.1
110.07156	4.6
111.04436	16.2
111.08076	8.5
117.07021	11.5
119.04942	10.7
119.08579	48.7
120.08106	73.5
121.06508	36.5
121.08485	5.1
121.10136	13.2
123.04428	8.5
123.08061	54.7
129.07011	7.1
129.10242	10.8
129.11230	2.8
130.08624	8.1
131.04903	2.8
131.08589	9.4
133.06517	9.0
133.10141	32.1
135.08060	17.9
135.11694	14.3
137.02226	3.3
137.06001	24.9
137.09641	6.6
139.03952	4.9
142.07761	8.6
143.04926	2.9
143.08566	4.8
145.06444	5.3
145.10139	4.3
147.04428	7.5
147.08069	12.0
147.11691	58.5
149.05977	6.8
149.09567	3.4
149.13277	7.5
151.07561	21.2
151.11214	5.7
157.10115	23.3
159.11697	10.7
159.77625	2.8
160.08813	8.9
161.05968	12.5
161.09601	14.5
161.13289	8.5
165.05450	10.4
165.09126	4.1
167.07050	24.5
175.08800	6.4
175.11171	100.0
175.14745	4.7
177.12730	6.2
179.06993	3.6
179.10684	11.3
193.08665	6.4
193.12202	21.1
193.15926	4.2
199.02815	3.1
203.06923	4.1
203.10640	20.7
203.14238	5.4
203.17964	4.5
206.16205	7.7
221.04396	7.4
221.08116	10.8
221.11705	65.7
221.15050	14.9
221.18411	8.6
222.11171	3.6
229.60895	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	221.1171
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03951	6.7
53.94253	1.2
55.01866	2.7
55.05510	36.3
56.05035	1.4
56.96581	1.6
57.03412	4.3
57.07069	3.1
59.04980	2.2
65.03924	3.2
67.05170	1.8
67.05499	17.2
69.03422	34.1
69.07062	20.7
70.06570	1.5
71.04971	1.6
71.57564	2.0
77.03889	1.5
79.05484	19.1
81.03391	2.3
81.06599	1.9
81.07052	27.8
83.04975	34.8
83.08594	5.2
85.02879	1.9
86.09708	2.5
91.05479	41.7
93.07037	40.0
95.04962	12.3
95.08600	21.0
97.06527	2.9
99.08086	1.6
103.05467	9.3
105.07024	46.8
107.04939	10.9
107.07897	2.8
107.08592	50.9
108.05699	5.7
108.08871	1.5
109.02815	1.8
109.06519	10.2
109.10135	4.8
111.03836	1.5
111.04445	16.2
111.08042	4.3
113.02334	1.9
115.05457	6.8
117.07008	8.9
118.04144	1.7
119.04920	9.7
119.07278	1.6
119.08575	38.8
120.08068	5.2
121.05688	2.3
121.06496	31.3
121.10126	10.2
123.04410	7.3
123.08061	71.4
123.11673	1.7
128.06149	2.2
129.06979	5.7
130.06514	2.8
131.04913	3.0
131.08572	6.8
132.04404	2.0
133.06494	25.0
133.07474	1.9
133.10107	28.6
135.04398	1.5
135.08040	16.4
135.11697	14.6
137.05963	14.2
137.09564	4.0
139.03854	4.1
139.07509	1.8
142.07777	10.4
143.04866	1.5
143.08463	2.1
144.09302	3.2
145.06459	5.0
145.10074	4.2
146.07256	2.4
147.04381	8.8
147.08063	9.5
147.11681	42.8
149.05963	10.9
149.09581	2.4
149.13303	2.1
151.03870	3.2
151.07507	16.5
151.11151	5.6
153.05492	1.7
155.07051	2.3
157.06387	1.6
157.10127	18.9
158.05960	2.2
159.11665	10.9
160.08829	10.0
161.05966	23.1
161.09642	10.4
161.13179	2.9
163.07501	3.8
165.05469	14.6
165.09070	3.1
165.12807	1.5
167.07025	31.3
168.78793	1.5
175.07471	2.8
175.11176	100.0
177.09142	2.9
177.12753	8.6
179.07025	4.1
179.10619	6.8
185.09544	2.8
188.08353	2.1
189.05472	13.1
193.08510	1.9
193.12260	24.0
193.15834	2.3
203.10680	19.5
206.16278	1.6
221.08099	4.8
221.11699	49.7
221.15280	3.2
222.11900	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	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.05022	1.8
58.06596	0.9
60.04526	1.1
61.02825	0.9
67.05485	1.7
69.37421	0.8
69.99505	4.3
70.06581	2.6
72.08154	1.9
79.05481	1.1
81.07063	1.1
82.02942	2.0
83.04986	0.8
84.04472	2.3
84.08152	2.0
91.05445	1.7
93.05828	1.0
94.06564	3.4
95.08604	0.9
98.21446	1.6
107.08625	1.2
109.10157	1.2
110.07172	1.5
111.08052	1.9
118.08665	1.9
119.04916	1.1
119.08591	1.3
120.08103	2.4
121.06507	1.8
123.54946	0.8
129.10236	1.9
130.06520	76.8
131.06866	1.0
132.04442	49.2
135.06831	0.9
136.07587	2.7
137.05937	0.8
148.07585	3.3
153.08984	1.0
156.06697	1.6
157.07603	37.4
158.06009	83.0
159.06339	1.5
162.05484	2.2
164.07043	3.7
168.02440	1.3
175.08665	100.0
176.07083	3.7
176.08980	1.3
178.08646	0.9
179.08125	1.5
180.06569	1.8
181.07324	12.1
186.05493	2.6
193.09686	1.3
203.08179	13.8
204.06601	4.8
206.16142	1.3
221.09216	25.3
221.15273	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	219.1338
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
52.23109	0.5
55.05516	0.6
56.05030	0.7
56.18904	0.4
60.04522	100.0
67.05507	0.8
69.07072	1.1
69.84840	1.0
69.85252	2.0
70.02959	1.1
70.06590	0.8
72.08138	0.9
79.05471	1.2
81.07048	0.6
84.04512	1.4
84.08139	1.5
86.09703	75.1
87.05602	3.4
90.05548	0.7
91.05479	0.7
93.07041	1.0
95.08600	0.8
105.07030	1.8
107.08598	1.2
117.73523	0.5
119.04944	0.5
119.08576	2.1
119.41717	0.5
120.08103	1.0
121.10145	2.5
128.10724	2.3
132.10197	47.9
133.10165	1.6
145.10159	0.6
147.08054	0.5
149.09741	0.6
155.11746	1.0
161.09570	0.8
161.13255	1.4
163.44540	0.6
173.12851	26.5
175.14786	0.6
187.11021	0.8
188.11949	0.6
201.12299	3.2
203.14308	10.4
219.13428	9.0
219.17416	29.8
220.09741	0.9
228.69870	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	220.1179
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01884	1.4
55.05504	0.8
57.07076	6.7
59.05008	5.4
63.91405	0.7
67.05499	6.3
69.07059	4.5
70.02951	8.0
70.75876	2.2
72.04514	18.2
73.02924	3.4
74.02431	1.2
83.04977	1.8
84.24937	0.7
85.06539	11.9
86.09705	1.4
87.08111	1.6
90.05552	100.0
95.04955	6.9
96.08121	3.1
98.02412	15.9
98.03010	1.3
100.03977	2.3
103.05450	0.7
103.07581	8.7
112.07610	0.8
113.05989	2.6
116.03458	12.9
124.06725	1.3
124.07591	18.7
131.06992	0.8
131.17802	0.7
142.08635	9.1
152.57588	0.7
156.10210	0.9
160.09669	1.3
166.08614	2.7
174.11269	1.8
184.09688	18.4
198.65558	0.6
202.10745	26.2
205.15829	1.3
213.41629	0.6
216.44969	0.6
220.09875	1.1
220.11783	23.6
220.17731	2.1
230.24910	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	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
57.07068	0.6
58.32780	0.5
59.30135	0.6
68.03078	0.6
70.57652	0.6
70.84229	0.6
70.84549	1.2
73.29740	0.5
82.02918	1.2
94.06580	2.8
95.08634	0.8
103.98166	0.6
104.04980	1.2
106.06542	1.0
109.10149	0.7
115.05467	1.9
120.08092	1.5
130.06516	48.2
131.04930	0.7
132.04440	30.2
132.08083	1.9
133.05176	0.8
133.10184	0.9
134.06015	8.9
146.06049	2.9
147.06355	3.7
147.09181	1.0
148.07550	5.5
151.00980	0.6
157.06459	0.5
157.07603	20.4
158.06004	67.6
159.06654	2.1
160.07579	5.4
161.06207	0.7
162.05499	20.4
175.08662	100.0
176.07088	2.7
176.08939	1.8
186.05481	7.4
203.08168	1.3
204.06544	24.5
205.06859	0.9
205.12383	0.6
221.09209	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	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01850	1.6
55.05500	3.5
57.03416	2.3
57.07063	1.5
63.02399	0.8
66.61201	1.0
67.05492	5.1
69.03413	1.5
69.07047	3.1
70.06554	0.9
71.04993	2.0
71.26852	1.8
72.08140	2.0
79.05489	4.2
81.03387	0.8
81.07056	7.6
83.04967	1.3
85.02909	1.4
86.53019	0.7
91.05479	18.3
93.07040	6.5
95.04984	2.2
95.08601	4.0
97.06534	0.8
98.97573	1.0
103.05448	5.9
105.07018	11.2
107.04958	1.7
107.08596	6.6
109.06490	2.5
109.10143	2.5
110.07075	0.8
111.04433	1.5
115.05446	14.9
116.06225	4.3
117.07027	9.3
119.04892	1.0
119.08575	11.5
120.08094	2.8
121.06477	2.3
121.10136	9.6
123.08050	1.7
128.06212	13.1
129.07001	48.1
130.07805	5.4
131.04927	10.2
131.08562	44.8
131.09413	0.7
133.06476	0.9
133.10110	9.6
135.04378	0.9
135.08047	2.3
135.11685	2.2
137.05968	5.3
141.06989	39.5
142.07503	0.7
143.04890	2.7
143.08611	3.9
144.05707	7.3
144.09320	2.3
145.06482	10.3
145.10114	8.4
146.07280	6.5
147.04399	0.9
147.07991	2.0
147.11670	3.4
148.05186	1.9
149.05908	0.9
149.09612	1.4
151.07497	1.1
155.06020	1.3
156.05650	1.6
157.06480	24.5
157.10112	1.7
158.07260	26.6
159.04446	5.4
159.08052	29.1
159.11674	21.6
160.03935	1.1
160.05174	7.4
160.07430	1.1
161.05980	0.9
161.09610	6.1
161.13304	4.3
163.07579	4.0
163.11163	1.9
168.05759	0.9
169.06459	14.7
169.07684	1.2
170.07242	6.6
171.08040	1.0
172.05139	1.0
173.05989	6.7
173.09595	3.4
173.13269	5.3
174.06760	82.6
175.07532	14.8
175.14812	3.1
177.09055	1.8
177.12787	0.8
183.11690	1.4
185.05989	1.9
185.13219	0.9
186.06729	19.4
187.07512	2.3
187.11153	1.3
188.08286	3.5
188.11972	1.5
189.09099	96.6
190.09416	2.8
191.06937	1.8
191.09045	1.0
191.10629	7.4
201.05316	1.4
201.09093	37.3
201.12740	2.3
201.16322	4.5
203.14317	30.5
219.06598	2.9
219.10149	94.5
219.14156	9.8
219.17422	100.0
220.09981	3.5
220.17812	1.5
229.01900	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	219.1338
Annotation	Ile-Ser
Peak:m/z	Relative Intensity
55.01890	0.4
55.05501	0.6
56.05023	1.6
58.06595	0.5
59.05183	0.3
60.04515	1.1
69.07060	3.4
70.06593	0.7
70.22964	0.9
72.08153	2.9
74.06080	5.4
81.56066	0.3
82.06604	0.5
84.04503	0.8
84.08152	0.9
85.08474	0.4
86.09701	100.0
87.10023	0.8
88.03992	0.8
91.05466	0.5
93.07047	0.3
98.06042	0.3
104.07085	0.4
105.06981	0.4
106.05032	1.5
118.08629	0.7
118.52193	0.3
121.01620	0.3
121.06452	0.4
121.10072	0.4
131.05890	0.3
132.10219	0.6
133.10138	0.5
136.05112	0.3
137.05949	0.4
139.03827	0.3
139.86612	0.3
147.03294	0.5
148.06052	0.4
173.12880	1.2
175.07542	0.3
176.07195	0.4
179.09337	0.5
183.08546	0.4
184.09755	0.4
201.12384	1.2
202.08672	0.6
202.10738	0.4
203.14313	1.6
219.11287	2.3
219.13422	1.9
219.17426	4.9
220.11829	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	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49744	32.9
52.87013	27.6
53.71368	30.4
64.52679	36.6
69.98591	27.6
70.06575	100.0
70.73030	29.2
71.37031	62.8
72.08110	41.4
104.16417	30.2
116.07156	27.5
121.01646	34.9
128.50441	28.0
189.13397	74.3
219.02673	44.6
219.17439	92.4
234.75493	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
67.05495	1.7
68.34488	0.8
70.30426	1.1
70.30834	2.0
79.05463	1.7
81.07060	1.5
84.30791	0.8
85.15075	0.7
91.05482	12.0
93.07034	0.9
103.05463	2.7
105.07011	2.8
107.08564	1.2
115.05454	11.1
116.06198	3.2
117.07045	3.9
118.94223	0.8
119.08588	1.1
120.08067	1.0
121.92514	0.8
127.75882	0.8
128.06209	10.8
129.07004	42.5
130.07768	3.5
131.04930	8.8
131.08563	37.7
131.09393	0.6
132.08885	1.0
133.10115	2.0
137.05946	5.0
141.06989	37.4
142.07693	1.1
143.04926	3.2
143.08534	2.7
144.05707	6.5
145.06490	7.2
145.10159	1.2
146.07280	5.7
148.05159	1.1
151.29411	0.9
155.08635	0.9
157.05232	1.5
157.06491	21.7
158.07278	24.0
159.04420	5.2
159.08055	29.3
159.11673	2.4
160.05228	5.6
160.08574	0.9
161.05914	2.3
161.09644	3.7
161.13304	1.2
163.07550	2.2
169.06465	15.7
169.07674	1.7
170.07289	7.9
171.08046	1.1
172.35333	0.7
173.05940	5.4
173.09669	1.1
174.06763	80.6
175.07516	10.8
186.06761	18.9
187.07460	2.6
188.08302	5.1
189.09102	93.7
190.09506	1.8
191.06960	1.9
191.10689	8.1
201.09091	43.1
203.14262	3.0
219.10152	100.0
219.17451	12.8
220.10419	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	218.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01854	11.1
55.05486	10.8
56.05017	11.0
56.05841	5.4
56.96539	3.5
58.06585	7.6
60.04530	15.5
61.01136	5.1
65.03934	5.1
67.05485	15.3
68.05006	7.0
69.03426	6.9
69.07065	4.4
69.18571	31.8
70.02928	3.9
70.06593	15.2
71.01344	3.7
71.04990	3.9
72.04487	6.2
72.08149	15.4
74.06087	14.2
74.06450	2.5
76.80126	2.5
79.05496	15.7
80.04996	13.0
81.03407	6.8
81.07055	3.9
82.06564	11.0
83.04974	15.2
84.04504	15.2
84.05297	10.4
84.05788	2.9
84.08141	100.0
85.01157	2.5
85.02905	17.6
85.57030	2.7
86.06061	3.6
86.09688	12.9
89.06044	2.5
91.05475	12.6
93.03396	6.8
94.02897	3.3
94.06552	12.0
95.04942	27.7
96.04454	6.3
96.08122	4.9
97.02879	5.8
97.06520	5.7
98.06046	13.4
98.21609	3.3
99.04443	5.5
101.05990	5.2
101.10764	2.6
102.05528	4.0
103.05457	5.2
104.04982	3.3
105.03390	5.5
105.06997	4.9
105.62495	2.6
106.06518	5.5
107.04292	3.3
107.04945	18.3
108.04440	7.1
108.08090	4.1
109.02866	5.2
109.05239	3.8
109.06483	4.6
110.06036	11.5
110.07159	3.7
111.04424	18.0
112.04759	14.1
112.07602	6.6
112.11234	4.0
113.02312	3.0
113.06000	5.9
114.05522	6.4
117.07014	3.5
117.95964	7.5
118.06512	4.6
119.01891	7.0
119.04909	5.1
120.02054	3.2
120.08095	8.5
121.06519	6.6
122.06002	9.1
123.04433	30.5
124.03899	3.7
124.05182	3.5
124.07567	8.0
125.05981	12.2
126.05510	8.9
126.09140	4.3
127.03885	5.9
128.07062	7.1
129.10211	15.6
130.04990	5.9
130.08618	12.3
131.05002	2.9
132.08066	5.0
133.02827	10.8
134.05981	9.0
135.04390	9.7
135.08064	3.0
135.96962	4.1
136.06155	4.2
136.07578	22.3
137.05949	11.8
138.05461	8.1
138.09091	3.5
139.03900	8.5
140.07059	5.2
141.05463	11.3
144.10133	3.3
146.05959	5.2
147.04384	3.5
147.11244	7.9
148.07599	5.9
150.05481	19.0
151.03897	15.5
151.06299	5.6
152.07008	6.7
153.05450	37.2
154.04860	3.5
154.08604	12.3
155.07027	8.7
156.06209	3.7
156.07495	26.3
156.10144	3.4
159.06566	3.9
160.07547	5.7
161.08333	5.8
164.07043	12.5
165.05519	5.2
168.06526	4.6
169.04955	9.1
171.06503	9.1
172.06084	4.2
172.07465	4.1
172.09679	5.9
173.08125	4.7
174.08308	16.4
182.04478	4.8
182.08125	42.0
183.06519	4.2
188.19482	3.1
190.08585	5.0
194.97321	6.4
200.09131	35.5
201.02472	3.3
201.10310	23.4
201.12198	4.8
202.08714	3.9
203.14301	8.1
212.98483	6.3
218.04822	3.7
218.06538	7.0
218.08092	25.4
218.10249	73.5
218.13202	3.6
218.15030	7.3
219.03436	6.4
219.07709	4.2
219.11293	5.5
219.17416	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	215.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99221	2.3
52.46779	2.4
60.19673	2.8
63.46455	2.5
66.76331	2.4
67.16550	2.2
70.06590	4.1
70.75423	5.5
70.75756	2.8
70.82963	2.6
72.08159	3.0
72.93788	3.2
90.94837	2.6
92.37553	2.4
102.08720	2.5
132.95845	4.1
142.03178	2.4
150.96872	7.0
169.01089	3.4
215.01624	100.0
215.14011	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	215.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58951	4.9
53.03950	9.2
55.05512	33.1
61.91772	5.4
63.47569	4.3
67.05500	37.7
69.07063	32.9
69.36545	5.4
69.45322	6.1
70.06593	9.4
71.04996	19.4
71.36842	10.1
72.08163	5.9
79.05486	23.5
81.06591	6.7
81.07058	99.2
83.04997	9.2
83.08624	30.2
84.08167	7.4
85.06546	21.5
85.63184	4.7
86.09716	8.7
91.05486	35.8
93.07034	41.8
95.04976	7.2
95.08611	100.0
97.06531	24.6
97.62476	5.7
99.08074	8.0
102.51819	4.8
103.58057	4.9
105.07019	32.5
107.04964	6.1
107.08575	14.0
109.10150	8.0
111.08083	5.9
117.07014	12.0
119.08601	42.2
121.06520	12.3
121.10128	11.3
123.08033	6.4
128.06232	6.5
129.06941	7.5
131.08566	16.0
132.95836	19.0
133.10138	31.8
135.11693	20.1
137.13269	19.5
141.06956	9.8
145.10118	18.6
150.96877	46.9
154.07828	6.5
155.08543	6.3
159.08037	11.1
159.11697	16.1
161.13263	58.0
169.07690	6.3
169.10162	14.2
173.09605	11.1
173.13309	6.8
179.14313	38.7
187.11151	25.4
191.97182	18.6
197.13208	5.8
197.15395	7.0
198.11238	6.5
209.98216	9.2
215.06969	11.4
215.08855	8.7
215.10677	34.0
215.14397	13.0
215.17984	18.7
215.56281	5.0
221.38878	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	214.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
54.93828	3.9
55.01861	1.7
55.04253	13.6
55.05501	5.0
55.94622	2.1
56.05038	10.6
56.96558	9.4
57.03450	2.0
58.06604	1.5
60.04518	3.0
60.05626	1.8
67.05509	3.4
68.05026	1.8
69.03417	2.5
69.07062	2.7
69.96171	9.5
70.06593	19.3
70.53270	3.4
71.94098	17.3
72.08162	15.4
72.93772	4.9
74.06072	5.4
79.05493	3.3
80.05032	3.2
81.03400	1.9
81.05775	3.9
82.06569	4.5
83.04969	2.9
83.06082	4.9
84.04509	12.4
84.08143	21.8
84.89364	1.3
85.02895	2.1
86.09694	10.5
88.03986	1.8
88.96717	1.3
89.95139	3.0
90.93851	1.4
90.94828	3.9
91.05491	8.6
92.62679	1.3
94.06565	15.1
95.04972	3.4
95.06074	2.6
95.07334	8.2
96.08136	6.9
97.02892	1.7
98.06081	9.4
105.06989	1.4
106.06535	2.7
107.04961	2.9
108.04489	2.7
108.08136	5.3
109.02922	2.1
109.06493	1.9
110.06044	12.1
110.07150	12.3
111.06798	3.1
111.07499	1.9
112.03989	1.6
112.07592	3.4
112.96696	6.2
113.95090	2.1
114.05514	1.7
115.08669	2.1
116.07105	8.7
119.00234	1.9
119.04940	6.3
121.06463	1.7
122.06036	19.7
122.07001	2.3
123.06808	15.8
124.03964	1.9
124.07595	24.8
126.05530	2.9
128.07082	2.7
129.10222	5.4
130.08621	1.8
130.97745	16.1
131.96147	23.9
131.97253	2.9
132.95810	8.7
134.05971	4.9
135.04439	2.7
135.06784	16.7
136.07573	26.1
137.05981	27.8
137.07919	1.4
138.05470	4.8
138.06516	2.0
139.03954	1.7
140.03391	2.5
140.07071	13.1
141.00027	2.9
141.07837	1.7
146.99625	2.1
148.98758	9.2
149.96132	2.3
149.97192	50.2
149.98239	2.2
150.05502	11.7
150.09174	2.8
150.96895	25.5
151.06287	47.7
152.07062	71.4
153.05435	5.1
153.07715	3.7
154.04947	3.0
154.08527	1.9
154.97754	4.6
156.85637	1.4
156.99139	1.7
161.97177	3.7
162.97720	1.7
162.99051	2.7
163.06279	23.6
164.03322	1.5
164.07068	47.7
166.08707	2.1
166.97461	1.6
167.05733	2.4
167.09296	1.8
167.98270	4.1
168.06564	16.2
168.10103	1.9
169.07326	7.6
170.02460	6.2
170.08075	2.0
171.47374	1.8
172.00357	2.7
172.97539	1.8
172.98824	18.8
178.08630	4.9
179.05754	1.8
180.06537	5.1
181.07332	100.0
182.07744	2.5
190.01404	1.5
190.97270	2.2
190.98509	1.4
190.99901	18.9
191.97066	6.9
195.08762	4.4
196.06009	9.9
196.07780	1.5
196.09587	7.1
197.06732	9.1
197.10274	3.3
208.99438	1.6
209.98167	2.7
214.01582	10.6
214.05081	3.8
214.07068	34.0
214.08815	1.6
214.10670	10.5
214.12692	2.7
214.21666	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	213.1485
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03926	2.6
53.98245	0.9
55.01871	18.3
55.05509	77.3
55.52633	1.0
56.96540	3.7
57.03416	1.8
57.07046	3.5
59.04976	2.4
59.97472	0.9
65.03920	1.3
67.05502	35.5
69.03424	10.4
69.06685	1.1
69.07065	20.3
70.06595	9.9
71.04991	74.9
71.08631	0.9
71.60024	1.3
72.05286	1.2
72.08150	8.4
79.05009	1.4
79.05486	25.5
81.03400	5.4
81.07052	41.2
83.04962	7.9
83.08617	48.6
85.02886	1.9
85.06543	9.1
86.09709	13.0
87.04461	9.8
88.07594	1.7
91.05479	10.4
92.55768	1.0
93.07040	24.8
95.04964	3.2
95.08602	25.9
97.02869	1.6
97.06528	94.9
97.10165	67.6
98.10499	1.2
98.97562	4.6
99.04446	3.0
99.08080	7.3
100.07622	1.3
101.09644	2.3
105.07018	6.6
107.04929	3.4
107.08584	33.4
108.08932	1.1
109.02848	2.6
109.06481	3.3
109.10155	19.0
110.07121	3.2
111.04415	1.8
111.08070	9.7
111.11660	1.3
113.06005	1.9
113.09612	2.5
115.05370	1.1
116.98595	3.6
117.06983	4.5
119.08586	5.3
121.04900	0.9
121.06487	2.3
121.09324	1.8
121.10134	23.3
123.04411	1.3
123.08106	5.9
123.11687	1.3
125.05974	1.3
125.09626	37.8
127.03938	7.2
129.06970	2.3
131.08577	5.5
133.10135	6.6
134.99619	1.4
135.08055	8.1
135.11682	12.5
137.13232	2.5
141.07001	1.3
142.07787	2.2
143.08527	3.4
145.10059	1.2
147.11676	2.3
148.97348	1.7
149.09550	2.7
149.13278	5.7
151.11043	1.3
153.09100	1.9
153.12761	2.7
155.08562	1.5
156.09222	1.4
157.06458	1.3
157.10088	5.1
158.99596	1.3
159.11641	7.1
165.07034	1.5
167.07063	2.7
167.14299	1.8
168.13779	1.1
170.10818	1.4
171.10217	1.1
171.11655	3.3
177.00648	2.7
177.12770	9.2
177.15024	1.8
177.16394	24.5
185.09590	1.6
185.16403	1.3
189.11240	8.3
190.06122	1.6
191.79581	1.2
195.13805	44.5
195.17433	5.0
213.05484	3.4
213.09108	4.5
213.12885	3.6
213.14810	100.0
214.08653	1.2
214.15053	2.4
222.08165	1.3
230.68167	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	213.1485
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
50.45467	1.3
53.03928	4.1
54.10072	1.2
55.01871	21.0
55.05510	81.1
56.05016	1.8
56.96542	4.2
57.03421	2.5
57.07050	4.1
59.05005	2.8
65.03904	1.9
67.05505	29.7
69.03424	9.7
69.07070	22.3
70.06593	23.8
71.04990	73.7
71.51760	1.9
72.07772	2.0
72.08152	33.7
74.09665	1.6
79.05082	2.2
79.05493	27.1
81.03422	6.8
81.06605	2.3
81.07051	35.3
83.04942	5.7
83.08616	48.5
84.08122	3.0
85.02893	7.9
85.06526	7.7
86.09705	66.7
87.00780	2.2
87.04451	9.0
88.07592	2.5
91.05467	11.7
93.07046	25.5
95.04926	4.3
95.08599	13.1
97.02855	1.9
97.06528	100.0
97.10162	64.4
98.06795	1.9
98.97558	3.3
99.04414	2.9
99.08072	2.3
103.05456	1.9
105.07030	7.2
107.04964	7.4
107.08588	26.5
109.02828	5.9
109.06483	2.6
109.10164	17.2
109.15817	1.4
110.07180	2.4
111.04422	2.1
111.08092	6.7
115.05422	3.4
116.07100	3.4
116.98656	1.6
117.06985	6.3
117.25342	1.4
119.04900	4.3
119.08548	4.9
121.06449	3.6
121.10103	6.2
125.09628	41.0
127.03912	10.3
128.06204	16.1
129.07027	12.2
131.04900	3.0
131.08566	8.0
133.10103	4.9
134.99541	1.8
135.04388	3.2
135.08054	7.3
135.11690	8.6
139.07430	1.5
140.04636	1.7
141.06946	5.9
142.07768	20.3
143.08554	12.2
147.11731	2.2
148.97383	2.5
149.09564	3.2
149.13243	4.3
152.06224	6.8
153.07022	2.8
153.09065	2.9
153.93155	1.4
154.07773	1.7
155.08493	2.6
157.06438	4.7
157.10110	14.4
159.11656	5.5
163.03908	1.6
163.07527	1.7
165.06897	4.2
167.06984	8.8
167.08514	8.4
169.06375	2.6
169.10071	2.5
170.07199	6.1
171.08060	19.5
171.11638	2.1
171.54750	1.7
177.12743	7.8
177.16266	2.0
184.05222	1.6
185.05907	2.8
185.09598	27.8
185.13098	2.7
185.16475	4.1
189.11237	10.1
191.44534	1.7
195.08052	8.0
195.09862	1.7
195.11966	3.1
195.13800	37.4
198.06619	2.2
213.03667	2.2
213.05472	4.3
213.09149	37.2
213.12616	7.0
213.14795	95.0
213.16280	4.1
214.15196	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01862	7.3
55.05514	26.2
56.96557	10.8
57.03424	7.6
57.07066	8.7
63.00795	4.0
67.05501	83.2
69.03414	5.7
69.07065	37.5
70.06593	9.9
71.04974	16.2
71.10001	6.6
71.10328	4.7
79.05495	37.5
81.03406	3.5
81.06595	6.5
81.07051	100.0
83.04966	12.9
83.08618	25.8
85.02437	3.6
85.06539	4.7
85.10181	5.2
86.73913	3.6
88.07616	15.7
90.70724	3.7
91.05470	29.8
93.06489	5.1
93.07040	71.7
95.04959	10.3
95.08597	30.3
97.06527	21.0
97.10163	6.4
99.08044	3.8
103.50055	3.7
105.07021	16.3
107.04945	7.9
107.08592	46.8
109.06528	5.3
109.10148	9.6
110.03719	5.7
110.07124	5.3
111.08054	10.7
113.09613	7.0
117.06999	6.5
119.08578	8.4
121.10123	13.7
123.11712	6.7
123.72595	3.5
125.07073	4.1
125.09617	4.8
127.03924	6.9
129.07007	8.5
131.08556	16.6
133.09239	3.6
133.10101	18.5
135.08168	4.0
135.11674	16.1
135.28419	3.4
139.11227	4.0
142.07809	8.1
143.08536	18.2
148.97307	4.4
149.13260	32.8
155.08554	6.4
157.10106	26.9
158.69717	4.5
159.11690	15.7
167.06985	6.4
171.11678	11.2
177.12653	7.0
185.09581	5.5
195.11736	5.5
195.13812	8.8
213.09322	7.3
213.12714	18.3
213.14667	6.0
213.16504	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.67994	3.0
52.85947	3.3
53.03938	7.5
55.01878	7.3
55.05510	28.4
56.96563	7.1
57.03416	11.2
57.07064	6.2
67.05508	75.2
69.03421	6.8
69.07067	33.4
69.52707	16.2
69.53114	7.9
70.06581	11.3
71.04987	17.4
71.08638	3.3
79.05491	43.0
81.03408	5.5
81.07057	100.0
83.04968	11.5
83.08621	25.9
84.08127	4.8
85.02908	4.0
85.06539	6.4
88.07638	8.3
91.05479	31.7
93.07043	63.2
95.04990	6.9
95.08614	32.7
97.06548	17.8
97.10181	8.9
98.97604	9.4
99.04478	5.4
105.07012	19.3
107.04952	4.6
107.08582	37.7
108.47491	3.0
109.02900	11.1
109.06475	3.8
109.10159	5.8
110.07159	3.5
111.08064	7.5
116.98608	4.6
117.07002	22.5
119.08589	12.7
121.10170	18.2
123.04357	3.8
123.11688	3.9
125.02365	3.7
125.05907	4.8
127.03889	16.1
128.06212	6.4
129.06967	11.7
131.08548	17.0
133.10133	15.9
134.99759	4.8
135.11703	14.9
139.07535	4.5
141.06917	4.6
141.47058	3.4
142.07796	7.3
143.08560	16.0
145.10141	34.1
149.09608	3.6
149.13248	36.7
151.03947	3.6
157.10106	28.2
159.11641	14.3
165.06941	3.9
167.07021	8.0
168.06490	4.7
169.10190	3.3
171.11717	27.6
177.12808	7.1
183.11681	3.8
185.09659	3.9
185.13290	6.3
195.13817	11.7
196.06113	4.7
213.03850	8.1
213.09142	7.3
213.11052	6.6
213.12773	10.4
213.14723	8.0
213.16440	55.3
214.17847	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	213.1484
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
52.63456	0.6
53.03938	1.9
55.01865	15.7
55.05506	72.1
56.05850	0.7
57.03422	1.4
57.07065	1.4
59.04985	2.3
65.03944	1.0
67.05501	27.7
69.03425	7.5
69.07060	15.2
69.54414	3.8
70.06586	0.8
71.04985	72.1
79.05488	18.1
81.03429	1.6
81.07047	31.9
83.04969	5.7
83.08613	47.8
85.02902	0.8
85.06539	6.4
87.04456	9.8
91.05470	6.6
93.07037	17.1
93.07634	0.9
95.04962	1.3
95.08591	10.3
97.06521	100.0
97.10159	63.0
98.06870	1.3
98.10487	0.8
98.20763	1.0
99.08070	0.8
100.23534	0.6
101.06025	0.8
101.09644	2.4
105.07035	3.8
107.04949	1.0
107.08582	19.2
108.47493	0.5
109.06506	2.2
109.10146	13.2
109.10855	1.1
111.08069	5.1
113.05995	1.1
117.07024	4.0
117.74649	0.7
119.08561	1.0
121.06473	1.8
121.10131	2.9
123.08046	1.1
125.09623	37.9
129.06915	0.7
131.08565	3.9
133.10118	4.7
135.08041	5.5
135.11676	5.5
143.10664	1.4
147.11655	0.9
149.09630	1.6
149.13251	4.5
153.09074	1.3
159.11667	5.0
165.12714	0.7
167.14294	0.9
171.10159	1.0
177.12737	7.4
189.11194	8.1
195.13794	45.3
196.14189	0.7
200.19699	0.6
213.14830	99.4
214.15192	2.4
228.99246	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	213.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
54.03463	1.6
55.01864	3.2
55.05509	10.1
56.05021	2.8
56.96564	9.5
57.03430	1.7
57.07044	1.7
58.06597	1.4
60.04518	1.9
65.03947	3.0
65.41067	1.2
67.01859	1.9
67.05497	3.4
68.05024	3.0
69.03413	2.2
69.07063	7.2
70.06590	39.3
71.04988	2.7
71.56643	2.0
72.08150	61.1
79.05477	4.7
80.01366	1.4
80.05022	11.5
81.03410	5.5
81.04487	1.5
81.07050	2.0
83.01345	1.7
83.06087	1.6
83.08614	1.8
84.04496	4.1
84.08137	9.8
85.02896	2.1
85.06519	1.2
86.06049	1.9
86.09705	73.0
88.07606	3.4
91.05463	4.1
93.07043	2.5
95.04953	2.8
95.08605	2.9
96.04478	3.2
97.02882	4.2
97.06531	1.4
99.04447	2.2
99.08067	1.3
106.02905	1.5
106.06574	1.5
107.04943	5.7
107.08607	1.7
108.04466	6.4
109.02879	2.5
109.06466	1.4
110.03664	4.3
110.07156	7.4
111.04436	1.8
111.05568	1.8
112.08765	1.3
114.06662	1.6
115.08636	1.5
115.35243	1.3
116.07078	3.8
120.08089	1.4
122.07135	1.7
123.04434	5.6
124.03938	6.5
124.05254	1.3
125.02327	1.7
125.04698	4.1
125.05987	1.5
125.07125	2.3
126.05678	1.6
127.03875	1.3
128.06252	1.6
129.07027	2.5
129.10313	1.4
130.08691	2.0
130.96274	1.8
135.04407	2.7
136.03943	10.8
136.05191	12.7
136.07568	3.2
137.04726	9.7
137.05702	1.4
140.03418	5.6
140.04782	1.4
141.00052	1.5
143.08514	2.8
146.99689	1.5
148.97365	7.2
149.09654	1.5
151.03838	2.1
153.04167	1.9
153.05487	1.9
156.07683	2.8
162.99196	2.1
164.03484	9.2
165.00713	2.0
165.04204	5.1
166.98476	1.4
167.03424	1.4
167.07024	4.4
170.04478	4.4
180.09293	1.5
182.04486	100.0
183.04855	1.8
185.09587	1.7
185.16492	6.4
188.92493	2.3
189.97688	1.3
208.99657	2.2
213.05560	3.5
213.08665	23.1
213.12637	6.8
213.16258	2.3
214.08739	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	212.0915
Annotation	3-METHOXY-L-TYROSINE
Peak:m/z	Relative Intensity
55.01856	2.2
56.05019	4.9
57.53057	1.2
58.06594	1.3
60.04513	1.3
65.03931	5.1
67.05500	2.2
68.05003	1.4
69.03429	1.6
69.07059	1.7
69.63902	1.2
70.06584	11.5
70.55430	4.5
71.94089	11.2
72.08160	2.6
79.05500	6.1
80.05032	1.4
81.03391	3.7
82.06553	3.0
83.04957	2.2
84.04491	5.9
84.07645	1.8
84.08133	23.5
86.09698	7.3
89.95123	1.8
91.05469	19.5
92.04993	2.4
92.05807	2.5
93.03399	8.5
93.07016	4.6
94.06553	2.2
95.04945	5.1
96.04478	3.0
96.08107	2.2
97.06547	1.8
98.06060	1.9
103.05458	8.8
106.06551	11.0
107.04944	4.8
108.04482	3.0
108.08072	2.7
109.02863	3.1
109.06494	2.0
110.06024	3.8
110.07138	5.5
110.09646	1.2
111.04434	16.0
112.07576	1.9
112.96714	8.8
119.04943	11.2
120.04455	2.3
120.08092	19.4
121.06485	21.9
122.05994	3.0
123.04435	7.1
124.07571	3.8
124.08675	1.4
125.05991	20.9
125.07039	2.2
126.05505	1.8
129.10226	4.2
129.97849	1.4
130.08597	3.3
130.97737	6.3
131.04918	10.2
133.05287	1.4
134.03676	1.8
134.06003	28.5
135.04361	4.8
135.06493	1.5
136.04790	2.0
136.07573	10.9
137.05966	19.7
138.05447	4.2
138.06314	5.5
138.09106	2.2
139.06380	2.0
140.07062	2.5
143.96103	2.1
147.04382	4.2
147.11250	2.3
148.07573	14.9
149.05974	100.0
150.06421	1.8
150.09154	2.1
151.03879	2.1
151.06265	4.4
152.03391	2.3
152.07039	21.2
153.05463	71.0
153.07285	6.9
161.97168	7.4
164.07089	10.2
165.05440	2.1
166.04964	5.0
166.08623	73.0
167.05734	4.8
167.07059	5.0
169.06686	1.3
172.35417	1.5
176.07045	8.6
177.05492	10.8
177.06979	1.8
178.08598	2.0
180.06477	2.1
181.07112	4.3
182.08087	7.4
184.04536	2.4
184.06000	11.1
188.55008	1.4
194.04420	2.3
194.08130	75.9
195.04758	2.5
195.06528	42.7
195.08409	6.3
196.03699	3.9
196.05988	1.7
201.19254	1.5
207.97812	1.5
212.05606	8.4
212.07292	3.3
212.09152	54.3
212.10962	3.3
213.12321	1.4
231.62021	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	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91870	0.9
51.53761	0.9
55.01848	1.4
55.05511	18.0
56.96559	1.6
57.03431	4.7
57.07060	3.9
59.05000	2.0
65.03929	2.6
67.05501	31.9
68.09203	0.8
69.03425	9.6
69.07063	18.6
70.06565	1.8
71.04990	5.2
71.08618	0.9
79.05487	8.6
81.03419	4.5
81.07053	36.5
83.04978	16.1
83.08613	11.9
85.02921	1.0
85.06510	4.7
86.09676	1.5
91.05469	7.7
92.45708	0.9
93.07043	15.3
95.04960	7.4
95.08604	41.3
97.06512	3.1
97.10152	3.3
98.06015	1.1
99.04439	2.8
99.08087	4.0
105.07018	10.3
107.04968	1.3
107.08590	24.0
109.06515	14.0
109.10151	100.0
110.10474	1.7
111.08046	3.2
113.06017	0.9
113.09635	1.8
115.05450	1.2
117.07019	1.0
119.08578	22.1
120.08118	1.1
121.06484	1.2
121.10128	10.4
123.04411	2.1
123.08065	15.8
123.11710	10.6
125.02321	1.5
125.09620	2.4
127.03912	0.9
127.11181	1.0
129.06953	1.8
131.08493	2.4
133.06462	1.2
133.10126	22.2
135.11690	60.6
137.06052	2.0
137.09615	17.9
139.11108	2.5
147.11658	4.8
149.13246	4.7
151.03902	1.1
151.07568	1.2
151.11168	13.5
151.14822	10.0
153.12733	2.2
157.10104	1.3
165.12735	1.5
165.16417	1.9
167.07021	7.7
168.05711	1.1
175.11197	1.4
175.14839	17.8
193.08806	0.9
193.12207	3.3
193.15878	16.4
211.07631	1.2
211.13171	2.0
211.16872	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.9
53.03939	3.1
55.01672	0.6
55.01871	6.4
55.05510	37.5
56.96564	1.7
57.03441	7.9
57.07069	3.8
59.04991	1.3
65.03933	2.6
67.05504	48.9
69.03424	11.1
69.07066	32.1
70.06573	1.4
71.04604	1.0
71.04990	14.8
71.08634	1.6
71.51153	0.9
73.06554	0.9
78.45058	0.6
79.05488	23.4
79.56760	0.6
81.03416	37.8
81.07054	76.3
82.07381	0.6
83.04978	22.7
83.05475	1.5
83.08616	26.1
84.08154	1.5
85.06543	12.3
86.09711	0.9
91.05482	19.9
92.05799	0.8
92.43186	0.7
93.07042	27.0
94.34704	0.7
95.04966	18.0
95.08605	100.0
96.08933	0.8
97.02923	1.5
97.06524	15.7
97.10165	10.2
99.04449	1.6
99.08104	3.8
103.05497	1.1
105.07024	21.6
105.07701	1.5
106.04192	1.1
106.07334	0.9
107.04952	2.8
107.08591	18.4
109.06509	7.7
109.10154	42.9
111.04417	1.0
111.08080	16.2
111.11719	3.1
113.06026	1.0
113.09608	1.4
115.05446	1.4
117.07019	1.5
119.04961	0.9
119.08576	26.2
120.08166	1.0
121.06504	2.5
121.10133	9.1
123.04446	2.3
123.08066	9.5
123.11705	8.1
125.02332	2.3
125.09620	4.8
127.07586	0.9
129.07005	5.9
131.08580	7.5
133.06496	2.0
133.09135	1.1
133.10127	21.0
135.08107	1.1
135.11687	11.1
137.05974	1.8
137.09618	15.1
137.13281	1.5
138.10374	0.9
139.11160	1.2
142.07799	1.3
145.10075	0.9
147.08052	1.6
147.11676	12.8
149.05949	1.2
149.09578	5.0
149.13277	7.9
151.03877	0.8
151.07582	1.3
151.11195	2.9
151.14815	25.7
155.08568	2.4
157.10120	5.7
165.05562	0.7
165.06987	0.7
165.12778	3.0
165.16394	4.7
167.07066	8.3
167.08423	1.0
167.10719	1.6
169.10194	2.2
175.11191	7.2
175.14816	28.7
179.07082	1.0
183.06487	1.0
183.08009	1.0
193.12245	15.7
193.15881	17.2
195.32297	0.9
196.12582	0.8
205.98877	0.9
206.14063	0.8
211.05896	1.7
211.07773	3.5
211.11273	1.1
211.13168	7.2
211.14964	1.8
211.16876	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03940	1.4
53.53454	0.7
55.01860	3.0
55.05510	25.6
56.04818	0.6
57.03432	3.8
57.07071	3.4
59.04990	1.9
65.03929	1.2
67.05502	38.2
69.03425	8.2
69.07065	31.7
71.04993	11.5
71.08617	0.9
73.06531	0.7
75.67244	0.6
79.05491	9.9
81.03413	2.0
81.07052	68.6
82.07386	1.2
83.04971	2.9
83.08615	14.9
84.08144	0.7
85.06538	12.0
87.04484	1.2
91.05471	10.3
93.07040	15.4
95.04971	4.5
95.08603	100.0
96.08948	1.6
97.06524	12.2
97.10156	7.9
99.04458	0.9
99.08126	3.3
103.05508	0.7
105.07024	13.0
107.08589	9.6
109.06532	3.4
109.10152	35.7
111.08086	5.8
111.11740	3.1
113.06004	1.0
113.09640	1.9
115.07583	1.2
119.08569	15.3
121.06467	0.9
121.10167	4.6
123.04417	1.3
123.08059	3.2
123.11687	6.0
125.09633	2.9
127.07548	1.0
131.08582	0.8
133.06458	0.6
133.10132	14.7
135.11691	5.3
137.09660	3.1
139.11192	0.9
147.11690	7.1
149.09589	0.8
149.13275	8.2
151.07605	1.1
151.11221	0.9
151.14812	29.8
152.15230	0.8
153.07144	0.8
153.12712	0.7
165.09132	0.7
165.12732	0.9
165.16397	5.4
167.07027	5.2
175.11263	1.1
175.13306	1.5
175.14813	22.9
175.16299	1.3
179.07094	1.6
193.12332	0.9
193.15871	14.6
211.07616	0.7
211.14934	0.9
211.16911	10.9
211.18811	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	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03941	0.8
55.05505	15.7
57.03429	1.0
57.07069	4.5
59.05003	2.0
65.03933	1.0
67.05500	28.4
69.03426	9.9
69.03783	0.8
69.07064	17.6
69.71077	1.1
69.71486	1.4
71.04994	3.6
71.08633	1.1
79.05488	5.7
81.03431	1.2
81.07050	29.7
83.04973	13.8
83.08614	9.0
85.06534	5.1
91.05464	5.3
93.07038	11.4
95.04959	3.4
95.08599	38.6
97.06526	2.3
97.10159	3.0
99.04459	0.5
99.08070	4.3
105.07021	8.7
106.04178	0.4
106.07343	0.6
107.08587	23.2
109.06507	12.9
109.10148	100.0
110.09785	0.4
110.10471	1.7
111.04447	0.4
111.08067	3.7
113.05996	0.4
113.09644	2.1
117.06979	0.7
119.08575	22.9
121.10138	11.0
122.07236	0.5
123.04501	0.7
123.08059	14.5
123.08957	0.7
123.11695	10.0
124.12054	0.4
125.02385	0.4
125.09631	1.7
127.11224	0.5
131.08566	0.8
133.10120	21.4
135.11681	66.5
136.11998	1.0
137.05939	0.7
137.09607	16.1
138.10321	0.8
139.11211	2.2
145.10094	0.5
147.11667	1.5
149.13254	6.1
150.10310	0.5
151.09979	0.8
151.11171	11.7
151.14813	12.7
153.12729	3.0
154.02200	0.4
160.12535	0.7
165.12721	0.7
165.16365	3.5
167.07060	2.6
175.14816	19.3
179.07053	0.7
183.15680	1.3
193.15860	15.9
193.92821	0.4
194.16226	0.5
204.32370	0.4
211.07611	0.5
211.15016	0.9
211.16904	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	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
52.35400	0.9
53.03944	6.4
53.55497	1.0
55.01870	6.8
55.05511	42.0
56.96553	3.3
57.03435	15.4
57.07064	2.9
59.04992	2.1
65.03929	2.8
67.05506	34.8
69.03432	14.3
69.07068	11.4
70.06567	1.8
70.97965	1.1
71.01340	1.7
71.04987	6.9
71.21262	0.9
79.05492	33.0
81.03416	100.0
81.07052	42.8
81.07534	1.8
83.04977	49.5
83.08619	30.7
83.08990	0.6
83.09121	1.1
84.08122	2.4
85.02904	2.8
85.06540	4.0
86.09700	2.4
87.04471	1.0
91.05482	36.7
93.07044	20.5
95.04964	34.9
95.08601	18.7
97.02900	9.2
97.06521	7.2
97.10151	6.2
98.06033	1.5
99.04450	1.3
99.08099	2.5
101.09679	1.2
103.05505	1.7
105.04468	1.3
105.07034	28.5
107.04951	7.6
107.08588	9.6
109.06522	7.7
109.10143	5.4
111.04429	3.5
111.08067	11.8
113.06001	2.4
113.90133	1.0
115.05449	2.2
117.06983	1.5
119.04922	2.4
119.08579	20.3
120.08080	1.3
121.06499	2.8
121.10153	8.5
123.04444	3.3
123.08088	5.9
123.11732	3.3
125.02370	3.0
125.09640	3.1
127.03870	1.1
129.07010	11.7
131.08566	12.0
133.06471	3.1
133.10124	14.2
135.08154	1.1
135.11649	2.1
137.05977	2.7
137.09586	1.9
139.11206	1.3
142.07785	3.5
145.10068	2.3
147.08022	5.3
147.11674	13.4
149.05966	1.7
149.09639	6.5
151.03865	1.6
151.07539	1.3
151.11229	1.1
153.06989	1.1
155.08505	2.1
157.10121	14.8
165.05478	1.9
165.09113	1.4
165.12727	3.2
167.07071	10.0
169.10133	3.0
175.11182	14.9
175.14873	2.0
181.08646	1.4
193.10432	1.6
193.12238	33.1
196.12479	1.5
205.98911	1.4
211.05951	2.5
211.07619	3.0
211.11215	1.4
211.13100	11.6
211.14839	3.0
211.20676	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	211.1328
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
51.05262	0.6
51.86046	0.7
53.03933	2.3
55.01863	1.9
55.05505	11.7
56.96560	1.3
57.03430	3.8
57.07066	5.8
65.03928	1.2
67.05502	20.2
68.05020	1.1
69.03420	4.8
69.07068	25.1
69.69044	4.6
69.82959	0.8
70.06580	2.4
71.04994	9.4
71.08633	1.2
72.08147	1.8
77.03896	1.2
79.05076	1.2
79.05492	14.9
81.03419	11.5
81.07054	28.0
83.04978	12.0
83.08617	6.6
84.05297	1.4
84.08144	4.1
85.02895	0.9
85.06544	9.7
86.09702	1.9
91.04910	1.7
91.05473	31.7
92.05820	1.3
93.07041	24.6
94.07343	0.8
95.04962	20.7
95.05960	0.8
95.08601	8.8
96.05307	1.1
97.02885	1.7
97.06532	4.6
97.10161	1.2
99.04453	3.7
99.08071	2.0
103.05441	1.6
105.03369	1.4
105.07022	33.1
106.74757	0.7
107.04937	2.8
107.08586	13.2
109.06509	26.8
109.10149	10.1
109.54081	0.8
110.06849	1.1
111.04437	2.1
111.07066	2.2
111.08063	2.6
113.05998	2.6
116.98621	1.1
117.07040	1.0
119.04935	1.1
119.06070	0.7
119.08574	13.4
120.08106	1.9
121.06525	3.7
121.10110	4.5
123.04424	5.1
123.08067	4.2
123.11669	5.9
125.02335	1.9
125.05997	1.7
125.09642	1.8
127.07552	3.8
128.98601	0.9
129.06985	2.6
131.08563	9.3
133.06483	2.7
133.10123	100.0
134.10492	2.7
135.04533	1.1
135.08086	1.3
135.11667	1.6
136.07581	1.5
137.05980	11.8
137.09624	2.2
138.05466	1.7
140.10669	1.3
141.05450	1.7
142.05009	1.4
142.07770	1.3
147.08075	1.9
147.11679	24.5
148.03987	0.8
149.05997	2.9
149.09607	5.0
149.13184	0.8
151.03894	1.9
151.07541	6.1
151.11176	57.7
152.07063	1.3
152.11542	1.3
153.06984	0.8
155.07024	18.7
155.08353	0.9
155.10699	0.9
157.10115	3.0
158.99631	0.8
163.97687	1.4
165.05519	1.0
165.07050	1.1
165.12718	5.8
166.04980	3.3
167.07022	16.8
168.10205	1.4
169.08609	1.9
169.12289	0.7
175.11168	12.9
179.07114	0.9
181.08589	3.2
183.08060	2.0
189.00554	1.0
192.49515	0.7
193.12234	21.1
193.14951	1.5
194.04433	1.5
194.08081	1.2
205.98894	1.3
211.07491	3.6
211.09624	1.9
211.13205	17.0
211.15004	0.9
211.16289	1.2
212.16472	0.9
231.58493	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	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01854	1.9
55.05495	1.4
56.05034	0.9
56.96561	1.0
65.03919	1.4
67.05492	1.6
68.05016	0.6
69.07051	1.0
70.06590	3.4
71.04992	0.8
71.58707	0.5
72.08127	1.3
78.04699	4.1
79.05491	3.8
81.03405	1.9
81.07054	2.3
83.04987	1.1
83.06098	0.7
83.08616	0.6
84.04500	1.0
84.08145	2.5
85.02860	0.5
85.06518	0.4
86.06013	0.5
86.09698	1.0
86.37712	0.5
86.76276	0.4
91.05476	12.8
93.07040	10.7
95.04964	5.8
95.08580	1.2
96.05736	0.7
97.06506	0.7
98.06026	0.8
99.04453	0.5
99.05478	0.5
103.05466	10.8
105.03374	1.1
105.04488	1.1
105.07030	4.7
106.04195	2.1
107.04939	2.1
107.08588	0.8
109.02862	0.9
109.06499	1.0
109.07610	0.4
109.10146	1.0
110.07166	0.6
115.05478	0.7
119.04925	1.8
119.08534	1.1
120.08096	1.2
121.06499	19.8
122.03640	0.5
123.04417	11.0
123.08097	0.9
124.03922	0.5
124.05243	2.8
125.02347	1.4
131.04936	0.6
131.06041	0.9
133.06467	4.2
133.10146	1.0
134.03603	0.6
134.05937	0.5
135.04398	1.1
135.11641	0.7
137.05983	2.4
137.06964	0.6
140.04550	0.4
145.96701	0.6
147.04387	0.7
147.11710	0.7
148.07471	0.5
149.05972	33.3
151.03908	4.0
151.07527	1.0
151.11115	0.5
152.04660	2.1
152.07065	1.1
153.06772	0.6
155.24794	0.4
161.05962	4.4
163.97701	1.9
165.05469	2.6
166.04977	3.1
166.06261	7.2
166.08499	0.5
167.07030	100.0
167.39619	0.5
168.04248	0.5
168.07320	1.6
168.10185	0.5
169.04912	0.5
179.07117	0.7
180.07808	2.1
181.08586	28.4
181.98686	0.7
182.08842	0.7
184.06064	0.6
193.04950	0.6
193.08553	0.7
193.12259	0.7
194.02916	0.5
194.04417	2.3
205.98769	2.7
206.43007	0.4
207.01402	0.4
211.07639	1.2
211.09648	2.4
211.11327	0.7
212.05632	0.6
212.09192	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	211.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05492	3.4
56.05024	4.5
58.06592	3.2
60.04520	6.1
62.14871	2.2
65.03934	2.6
67.05492	3.2
67.61178	2.3
68.05027	2.8
69.94241	13.9
70.06590	7.2
72.08157	8.9
79.05470	12.3
80.05023	2.4
81.07063	4.2
82.06557	5.4
83.05006	2.4
84.04510	10.5
84.08153	16.7
86.09693	2.4
91.05489	23.3
93.07034	5.2
94.06566	4.3
95.04961	6.7
96.08136	3.3
98.21493	3.7
103.05463	9.1
105.07023	4.0
106.06561	11.8
107.04973	14.6
107.07375	2.9
109.06533	4.4
110.06052	3.2
116.07085	2.5
119.04962	10.5
120.08109	9.2
121.06529	12.9
121.07528	2.3
122.06040	6.8
123.04440	25.4
124.07594	6.7
125.05947	3.0
129.10287	2.7
130.06560	4.4
131.04918	9.7
134.06032	13.3
135.04439	17.4
135.06844	4.3
136.07559	7.9
137.05986	55.5
137.07072	3.0
138.06351	6.1
145.12686	2.4
146.05995	10.5
147.04411	3.8
147.09192	4.1
148.07567	23.4
149.06000	31.4
150.05438	4.5
151.03899	3.7
151.06305	2.8
152.07062	86.0
153.05498	14.8
153.07834	2.8
155.08514	2.2
158.06065	2.6
162.05478	4.3
163.02708	2.1
163.03848	12.9
163.65712	2.2
164.07088	10.6
165.05460	3.5
165.07408	5.1
166.08629	13.8
167.07065	4.6
168.06560	8.9
168.10110	3.9
172.38690	2.3
175.08705	9.0
176.07088	22.2
177.05486	7.3
179.09023	3.3
180.06557	44.8
182.08116	6.7
182.60808	2.2
183.11308	3.3
184.06128	3.4
193.06891	9.5
193.09691	20.5
194.08141	100.0
195.06551	5.0
205.98872	4.0
211.07822	6.5
211.10730	44.1
211.12347	2.6
211.14365	3.7
212.05544	2.9
212.09189	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	210.9405
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59604	28.3
70.60004	32.9
76.74729	18.2
88.07783	13.7
94.92989	42.3
112.89554	23.2
120.94549	29.3
141.96158	13.7
153.53059	12.6
164.93536	16.1
168.76462	16.1
210.94029	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9405
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03755	30.0
70.99618	90.1
94.93018	32.4
107.83806	27.5
115.23226	36.5
120.94547	37.6
151.05759	29.5
171.35721	31.4
210.94028	100.0
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	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01862	1.3
55.05490	0.7
56.05014	0.5
56.96548	1.1
65.03924	0.7
65.20698	0.3
66.24276	0.3
67.05503	1.7
68.05019	0.7
69.03413	0.5
69.07072	0.8
70.06573	1.2
70.78193	0.5
71.04971	0.6
72.08160	0.9
72.60667	0.3
78.04710	3.3
79.05489	2.6
81.03406	1.2
81.07052	1.2
83.04991	0.5
83.08617	0.4
84.04475	0.6
84.08135	2.5
86.09690	1.0
91.05480	12.9
93.03387	0.4
93.07042	10.6
94.04163	0.3
95.04966	5.1
95.08605	0.6
96.05762	0.3
97.02820	0.5
97.06500	0.8
98.70531	0.3
102.04695	0.4
103.04819	0.6
103.05467	11.3
105.03387	0.8
105.04502	1.3
105.07023	4.2
106.04185	2.0
107.04951	2.1
109.02882	0.7
109.06535	0.8
109.10123	0.5
110.07153	0.3
111.09167	0.4
112.23834	0.3
115.05453	0.5
118.04127	0.6
119.04919	1.3
119.08583	0.4
120.08118	0.8
121.06503	18.9
122.03600	0.4
122.06840	0.4
123.04424	10.5
124.05222	3.0
125.02383	0.8
129.10196	0.5
131.06050	0.8
133.02873	0.4
133.06471	2.8
133.10155	0.5
134.03569	0.5
135.04375	0.7
135.50237	0.3
136.05142	0.3
136.07579	0.4
137.05954	2.1
138.05521	0.4
147.04457	0.4
147.07986	0.5
147.11732	0.4
148.05185	0.3
149.05977	28.5
150.06418	0.7
151.03893	4.4
151.07510	0.3
151.11159	0.4
152.04669	1.9
152.07010	0.5
161.05988	4.0
163.97701	1.0
165.05482	1.5
165.06897	0.3
166.04971	1.0
166.06247	7.0
167.07030	100.0
168.07423	2.1
169.04964	0.4
179.07104	0.5
180.07838	1.7
181.08589	25.8
181.98718	0.5
182.08952	0.6
184.06071	0.5
193.08565	0.8
193.12228	0.6
194.02779	0.5
205.98772	1.2
211.07780	0.5
211.09599	2.7
212.05460	0.8
234.03964	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	210.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
56.05019	0.7
56.96548	0.8
57.03418	0.9
61.02921	1.3
68.99779	2.1
69.03420	1.7
69.07040	0.7
69.49219	4.6
70.06559	1.1
72.08141	1.3
79.05462	0.7
81.03375	0.8
81.07047	0.8
82.01444	0.6
83.04967	0.9
84.08136	2.2
85.02893	0.7
87.00832	1.1
91.05481	4.6
93.07050	1.3
94.06516	0.7
96.04385	0.7
97.02860	0.7
100.02464	1.8
105.06998	0.9
109.06522	1.0
110.06069	0.7
111.00754	1.2
113.96430	0.6
115.00282	0.8
118.03516	1.1
118.06530	2.4
119.01852	0.6
119.04932	2.6
122.06029	1.1
123.04350	0.6
125.02339	1.1
129.01848	10.0
131.01903	1.2
133.03397	0.8
135.04387	2.3
136.03897	1.0
136.07552	1.5
137.05035	1.0
137.05983	13.7
139.00269	1.9
142.47186	0.6
145.03404	0.9
146.05991	2.9
147.02831	3.6
147.04410	1.2
149.02940	1.6
149.04732	1.0
149.05916	1.1
150.05460	1.3
151.11043	0.8
152.06940	0.8
157.01326	3.7
162.05482	0.7
162.09166	1.8
163.03831	4.5
163.07555	0.9
164.07057	100.0
165.07452	1.1
166.08478	0.8
175.07509	0.8
177.07916	0.8
181.05029	0.8
192.06587	2.4
192.10172	1.8
193.07138	0.7
210.02290	1.1
210.07613	18.9
210.11247	7.1
210.15677	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	1.4
55.01873	6.8
55.05508	3.9
57.03436	0.7
57.07075	4.2
59.05003	0.8
65.03933	2.7
67.05505	5.6
68.04044	0.4
69.03442	2.0
69.07068	4.8
69.28363	4.3
70.06593	0.8
71.04986	2.8
71.76411	0.4
75.04494	1.7
77.03960	0.5
78.04720	2.6
79.05487	6.7
81.03413	1.2
81.07055	7.4
83.04969	2.9
83.08627	1.8
84.08151	1.1
85.02902	1.6
85.06539	1.2
89.03931	1.4
91.05475	13.3
91.06033	0.9
93.03403	3.8
93.07040	8.7
95.04963	7.7
95.08607	6.9
97.06519	3.6
98.21564	0.9
99.04475	0.8
99.08092	0.7
103.05466	5.3
105.03381	0.6
105.04518	0.6
105.07018	4.3
106.03475	0.9
106.04169	13.1
107.04964	2.6
107.08592	10.2
109.02872	1.6
109.06512	100.0
109.10153	8.0
110.06815	0.7
111.04453	0.8
111.08070	2.5
113.05989	0.7
117.03362	1.5
117.07017	1.5
119.04939	1.0
119.08556	2.5
120.05750	0.7
121.06502	15.2
121.10147	6.0
123.04427	1.0
123.08060	10.7
123.11714	1.0
124.05215	0.5
125.06007	3.3
125.09608	2.0
129.07024	0.6
131.04922	1.9
131.08543	4.9
133.06511	0.7
133.10153	3.7
134.03661	2.2
135.04414	1.3
135.08044	19.6
135.11670	2.6
137.05975	2.7
137.09552	0.6
139.07533	1.7
139.11189	0.6
145.02840	2.0
145.10146	3.1
145.80559	0.4
147.04396	0.8
147.08080	0.7
147.11678	1.6
148.05176	1.7
149.05989	17.8
149.09625	5.2
149.13245	3.3
150.06375	0.6
150.10431	1.5
151.03908	0.6
151.07574	0.5
151.11160	5.5
153.05461	2.7
153.09088	8.1
158.10861	0.7
161.09619	1.0
163.03874	1.0
163.07547	1.2
163.11182	1.8
163.14815	1.7
165.12730	1.9
166.06273	0.6
167.07024	1.0
167.10748	0.6
167.14255	0.5
173.13274	4.8
176.11963	0.5
177.05466	9.8
181.05022	0.7
181.06387	0.6
181.08635	2.9
191.06973	2.2
191.10582	1.0
191.14294	21.1
192.14616	0.7
194.01985	0.4
194.05684	0.8
209.04408	1.9
209.08122	6.3
209.11650	1.6
209.13344	1.0
209.15335	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.5
55.01869	10.1
55.05265	1.8
55.05511	17.0
57.03434	6.4
57.07062	5.6
59.04984	4.3
65.03918	4.3
67.05499	14.1
68.99779	5.5
69.03420	8.3
69.07069	17.7
70.84657	1.9
70.84982	2.1
71.01356	1.3
71.04993	8.6
75.04491	1.4
77.03919	2.1
78.04694	3.9
79.05493	17.1
81.03412	3.6
81.07058	25.0
83.04976	23.9
83.08631	7.7
85.02901	4.2
85.06539	6.7
89.03899	1.7
91.05479	23.3
93.03395	4.2
93.06495	2.1
93.07047	34.6
93.07636	1.9
95.04967	13.4
95.08605	20.5
97.06529	15.3
97.10166	2.9
99.04462	3.2
99.08096	23.8
103.05467	6.5
105.07027	18.1
106.04176	16.7
107.04942	6.0
107.07891	3.0
107.08595	51.9
109.02835	2.8
109.06516	15.8
109.10158	19.4
111.04441	5.2
111.08080	9.2
113.05947	2.3
117.03314	1.6
117.07027	2.7
119.04924	2.4
119.06017	1.6
119.08572	9.0
121.05686	1.8
121.06518	25.8
121.08323	1.3
121.10142	32.5
123.04384	2.0
123.08070	16.0
123.11687	9.0
125.05994	14.8
125.09647	12.6
125.13268	2.5
131.04907	2.1
131.08566	16.7
133.10147	19.4
134.03625	3.3
135.04384	2.2
135.08057	13.9
135.11700	10.6
137.05978	3.3
137.09627	11.2
139.07535	12.5
139.11188	4.6
143.08531	1.5
145.02861	1.8
145.10135	6.8
147.04393	1.7
147.11673	5.6
148.05153	4.4
149.06004	23.2
149.09622	100.0
149.13266	24.6
151.11183	49.6
153.05424	2.7
153.09102	16.9
154.09860	2.4
157.10182	1.4
158.10941	3.0
163.07516	1.6
163.11182	5.3
163.14815	14.8
165.12788	3.0
165.14253	1.3
167.06981	2.6
167.10590	1.3
173.13272	16.6
177.05486	13.1
178.48331	1.1
181.08618	3.9
181.64041	1.6
191.06964	2.6
191.10638	5.5
191.14305	32.6
194.05814	1.6
209.04433	3.0
209.08086	6.4
209.12115	7.2
209.15369	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.26891	0.5
53.03937	1.9
55.01869	7.9
55.05508	27.9
55.57537	0.5
57.03435	1.5
57.07068	3.3
57.67024	0.6
59.05022	0.7
60.26027	0.5
65.03944	0.8
67.05499	15.2
69.03424	1.6
69.07063	4.2
69.27818	0.6
69.35848	2.2
69.36279	2.8
70.16666	0.5
71.04986	2.1
71.82926	0.6
77.91393	0.5
78.56886	0.6
79.05019	0.8
79.05486	13.6
81.03410	0.9
81.07053	19.9
83.04975	100.0
83.08613	4.2
84.05319	1.4
85.06531	1.9
91.05474	7.3
93.07038	23.4
95.04983	3.0
95.08601	19.8
97.06527	2.3
97.10188	1.4
98.92354	0.5
99.08101	0.7
103.05479	1.6
105.07013	2.7
107.04945	1.9
107.08577	19.5
109.02851	1.5
109.06502	3.5
109.10149	6.2
111.04428	1.0
111.08080	6.7
117.07008	1.2
118.04073	0.7
118.37714	0.6
119.08545	1.6
121.06516	3.1
121.10139	11.9
121.10953	1.1
123.08063	1.5
123.11691	1.8
125.05981	1.2
125.09655	3.6
131.04932	0.8
131.08568	4.0
132.05435	0.6
133.10143	2.0
135.08003	3.7
135.11694	2.1
136.97701	0.5
139.07544	0.8
145.02808	1.4
145.10127	1.3
147.04446	0.8
147.11690	1.9
149.05962	1.9
149.09593	3.0
149.13245	9.8
151.11172	1.3
153.05511	0.6
153.09091	2.6
163.07527	0.6
163.11172	0.7
163.14819	6.2
165.12769	1.2
166.07805	0.6
167.10574	0.7
173.13200	3.8
177.05444	3.1
181.15897	0.9
191.07021	1.5
191.14278	5.1
196.97560	0.6
209.04390	1.4
209.07961	1.4
209.09627	1.5
209.11569	1.0
209.13506	1.0
209.15350	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	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03933	2.5
55.01873	5.9
55.05508	6.4
55.64616	1.0
57.03421	2.5
65.03929	2.2
67.05500	18.9
69.03410	4.0
69.07067	11.9
69.19243	0.9
69.64884	6.8
71.04990	19.8
77.03896	1.0
79.05491	42.9
81.03422	1.6
81.07051	10.7
83.04973	17.7
84.08142	1.0
85.06536	5.2
86.09681	1.3
91.05479	25.8
93.03399	1.2
93.07039	39.4
95.04962	12.7
95.08590	6.0
97.06521	8.1
99.08067	1.3
103.05460	3.1
105.04507	1.1
105.07024	24.4
106.04150	1.8
107.04948	31.0
107.08588	50.7
109.02892	1.0
109.06518	11.3
109.10151	2.0
110.07163	2.1
111.04453	5.5
113.06004	1.8
115.05436	1.6
116.06252	2.0
117.07001	8.4
119.08580	14.8
121.06502	23.3
121.10134	28.9
122.10500	1.0
123.04420	4.0
123.08039	4.3
123.11655	1.2
125.05985	11.4
129.07014	6.4
130.07738	2.3
131.08562	82.7
132.08919	1.6
133.10121	3.3
135.04402	1.9
135.08069	5.3
135.11665	6.9
137.05939	3.7
137.09621	2.4
139.07498	2.9
141.05441	2.2
143.08542	2.5
145.06462	2.3
145.10120	40.5
147.08026	7.8
147.11671	2.8
149.06006	4.6
149.09612	100.0
149.13242	3.6
150.09972	2.3
151.07555	1.6
151.11154	2.9
153.05464	7.2
153.09079	1.5
155.07050	1.5
155.08508	1.3
163.07527	5.1
163.11172	36.5
163.12553	1.8
163.14787	1.0
164.11719	1.3
165.09106	14.2
167.07010	4.2
167.10669	11.8
173.09621	9.4
173.13263	1.8
183.01788	0.8
191.10666	52.7
191.14314	3.0
192.10970	1.0
199.75398	0.8
209.11716	63.4
209.15300	3.8
210.11983	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03938	2.9
55.01871	9.0
55.05278	1.2
55.05513	14.8
57.03431	3.7
57.07057	2.9
57.09195	1.0
59.04998	1.4
65.03932	2.6
67.05501	13.8
69.03425	3.8
69.07075	18.1
70.09552	1.1
71.04987	22.8
79.05491	51.8
81.03426	2.1
81.07054	12.8
83.01318	2.7
83.04980	24.9
83.08619	3.9
83.41983	1.0
85.02872	1.3
85.06567	1.7
91.05476	29.6
93.03426	2.2
93.07040	50.1
95.04963	21.3
95.08619	7.9
97.06526	14.8
97.10173	1.1
99.04461	4.2
99.08094	2.6
103.05469	4.4
105.04514	1.8
105.07028	31.5
106.04147	3.6
107.04221	1.2
107.04954	21.5
107.08588	57.8
109.02879	1.9
109.05811	2.0
109.06514	28.7
109.10164	6.9
111.04431	5.0
111.08057	3.5
113.05995	1.2
116.06225	1.8
117.03378	1.8
117.07008	10.0
119.08581	12.7
121.06509	41.9
121.07387	2.1
121.10144	33.8
122.10515	1.4
123.04425	2.2
123.08057	5.0
123.11723	1.8
125.05981	9.7
125.09612	5.8
129.07002	5.2
130.07779	3.5
131.04926	2.7
131.08562	100.0
132.08871	1.6
133.06502	1.1
133.10143	6.0
135.04422	4.7
135.08052	8.6
135.11714	7.2
137.05984	3.0
139.07526	5.2
139.11127	2.5
141.05457	3.5
145.06500	2.2
145.10123	41.8
147.08044	7.9
147.11667	3.8
148.05215	1.3
149.05983	10.3
149.09618	88.8
149.13272	4.4
151.07553	2.1
151.11180	6.9
153.05475	11.1
153.09091	4.8
155.06960	1.4
163.07552	3.6
163.11171	31.4
163.14789	1.4
165.09090	6.3
165.12755	1.7
167.07094	7.8
167.10713	6.7
167.14331	5.9
173.09636	5.2
173.13229	4.4
177.05501	6.3
181.08560	1.5
181.26808	1.0
191.07036	1.5
191.10658	40.0
191.14270	6.3
194.05748	1.3
209.08171	4.3
209.11734	56.2
209.15263	12.6
229.99187	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.42042	1.3
51.02362	1.8
51.03034	1.4
53.03942	9.4
54.31871	1.2
55.01599	2.3
55.01868	45.0
55.05505	16.2
56.04998	1.4
57.03440	10.1
57.07066	4.9
59.04979	2.6
65.03929	15.5
67.05501	22.5
68.99776	1.6
69.03425	15.7
69.07056	13.6
69.75046	5.9
70.06577	4.1
71.04986	11.9
72.99261	1.3
75.04468	7.7
77.03902	2.6
78.04702	11.6
79.05487	32.4
81.03410	14.5
81.06586	2.5
81.07047	31.9
82.04193	6.6
83.04975	32.1
83.08621	5.7
84.08121	6.9
85.02899	13.0
85.06528	3.9
86.09695	2.8
89.03910	10.0
89.06023	2.5
91.05475	68.0
93.03399	24.1
93.07037	55.7
94.04169	2.2
95.01313	2.0
95.04964	49.8
95.08591	17.6
97.02892	7.5
97.06519	24.6
99.04448	7.7
99.08090	4.4
103.05463	28.5
105.03374	3.6
105.04510	4.3
105.07015	22.8
105.75441	1.3
106.04166	66.6
107.04945	18.9
107.08585	35.7
109.02856	4.7
109.06511	100.0
109.10157	14.2
110.03652	2.0
110.07221	2.9
111.04437	16.0
111.08074	22.6
113.02257	1.3
113.06036	1.7
115.05441	2.0
117.03360	9.6
117.06995	8.6
118.04138	2.7
119.04940	10.4
119.05762	1.7
119.08570	9.3
120.05714	3.0
121.06496	87.6
121.10136	26.4
122.03594	1.5
123.04391	5.9
123.08069	13.0
123.11636	4.2
124.05182	2.5
125.02347	1.8
125.05987	20.5
125.09635	8.0
127.07570	2.8
129.07008	2.7
130.07777	3.4
131.04939	13.7
131.08551	18.7
133.02795	1.6
133.06525	2.8
133.10126	13.6
134.03619	12.5
135.04379	8.0
135.08055	19.5
135.11690	10.8
137.05989	14.8
137.09590	6.1
138.03098	2.8
138.06729	3.3
139.07533	25.2
139.11165	3.2
143.08595	1.7
145.02809	12.8
145.06476	2.0
145.10127	18.8
146.03619	1.4
147.04413	4.7
147.07996	3.5
147.11626	3.8
148.05185	11.4
149.05972	95.9
149.09605	23.6
149.13243	7.3
151.03886	3.5
151.07558	8.6
151.11153	12.0
153.05507	9.7
153.07935	2.8
153.09088	33.6
155.08569	3.9
159.04399	3.6
163.03882	3.9
163.06212	1.8
163.07509	9.8
163.11166	18.1
163.14803	3.7
165.05522	3.0
165.09117	2.5
165.12711	3.7
166.06250	5.2
167.07024	5.2
167.10654	5.0
167.14284	2.5
173.09641	12.9
173.13242	8.1
176.04704	5.1
177.05460	60.6
180.07860	1.9
181.05031	2.5
181.08594	16.2
181.12125	2.4
191.07034	17.3
191.08759	1.8
191.09079	2.1
191.10660	20.1
191.14316	24.7
193.04915	2.0
194.05736	4.8
207.10159	1.5
209.04518	7.5
209.06111	2.0
209.08105	34.6
209.09773	1.9
209.11702	22.2
209.15352	32.5
209.17293	1.0
210.14980	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	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02372	2.5
53.03957	8.0
55.01633	1.9
55.01875	27.8
55.05276	1.5
55.05512	17.8
57.03436	3.5
57.07065	4.4
59.04988	2.9
62.63808	1.4
65.03938	14.0
67.05504	22.7
68.99776	2.0
69.03430	10.0
69.07070	16.8
70.06562	4.9
70.36655	3.0
70.37048	3.0
71.01343	1.5
71.04990	11.4
75.04478	10.5
77.03889	1.9
78.04704	11.9
79.05489	40.7
81.03403	5.6
81.07056	27.0
82.04195	1.8
83.01337	12.6
83.04975	18.1
83.08611	6.3
84.08127	4.2
85.02890	7.9
85.06536	7.5
86.09686	3.2
87.04430	1.5
87.10020	1.6
88.41262	1.4
89.03931	8.5
89.06015	2.8
91.05480	67.5
92.05792	2.5
93.03403	27.2
93.07040	51.7
93.07643	2.7
95.04382	2.5
95.04968	41.7
95.08609	16.9
97.06531	24.8
97.10159	2.6
99.04459	4.9
99.08097	8.5
101.05992	2.8
103.05463	28.4
105.03382	4.3
105.04507	4.0
105.07021	22.4
106.04173	71.3
107.04962	20.2
107.08593	58.6
108.05734	3.4
109.02863	8.2
109.06520	24.4
109.10134	16.0
110.07208	3.5
111.04446	8.6
111.08073	9.1
115.05426	2.1
116.06369	1.5
117.03388	6.8
117.07011	5.1
118.04187	2.1
119.04929	8.1
119.08590	13.3
120.05724	3.2
120.08080	1.6
121.02911	2.1
121.06502	100.0
121.10139	38.3
122.06026	3.0
122.07144	1.6
123.04430	6.8
123.08091	10.9
123.11727	3.4
123.98605	1.4
124.05170	2.8
125.06001	21.6
125.09629	17.6
126.14600	1.5
129.06964	2.9
130.07710	1.5
131.04913	8.6
131.08559	36.3
133.02800	2.9
133.10135	13.2
134.03627	13.9
135.04433	8.3
135.08052	14.6
135.11679	11.5
136.07562	1.8
136.08748	1.3
137.05974	13.3
137.09567	3.9
138.06725	4.6
139.03899	1.8
139.07516	15.3
139.11163	5.1
141.05493	2.4
145.02831	7.8
145.06430	1.8
145.09058	2.1
145.10123	19.8
147.04375	4.8
147.08031	3.6
147.11702	6.8
148.05202	12.9
149.05980	96.4
149.09613	40.7
149.12080	1.8
149.13257	30.2
151.03914	2.7
151.07513	6.4
151.11142	17.4
153.05469	12.1
153.09090	26.3
154.16962	1.3
159.04443	2.4
163.02484	1.8
163.03867	2.0
163.07552	8.4
163.11177	18.3
163.14839	6.9
165.05496	3.3
165.06906	1.9
165.09129	6.0
165.12761	5.8
166.06216	5.7
166.07487	1.9
167.07027	9.0
167.08415	2.1
167.10721	4.7
167.14275	4.2
173.09624	5.2
173.13313	11.2
176.04669	2.4
177.05481	48.4
179.08630	1.4
181.04984	1.9
181.08612	18.3
181.10049	3.1
181.15900	2.4
191.07013	7.5
191.10666	19.3
191.14322	25.8
194.02141	2.6
194.05698	4.9
209.04391	9.1
209.06061	1.9
209.08069	31.8
209.11598	22.8
209.15349	53.7
209.17387	2.9
215.96199	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	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03944	7.4
53.28743	1.2
55.01868	27.3
55.05494	5.2
57.03423	2.9
57.07054	1.7
59.05004	1.7
62.73100	1.4
65.03933	11.6
67.05484	9.4
68.99770	1.4
69.03404	4.6
69.07047	5.6
70.06573	3.3
71.01333	4.5
71.04983	1.5
75.04486	8.3
77.03943	1.5
78.04707	11.4
79.05492	14.2
81.03407	3.9
81.07052	8.6
82.04203	1.6
83.04955	7.0
83.08583	4.2
84.08126	4.1
85.02903	10.3
85.06515	3.6
86.09698	1.5
89.03913	9.8
89.06029	2.7
89.54490	1.5
91.05476	53.3
92.89287	1.5
92.99442	1.5
93.03398	24.5
93.07040	26.0
95.04961	24.5
95.08614	8.0
97.06516	11.4
99.04473	2.1
99.08107	1.9
103.05466	29.4
105.03396	2.9
105.04501	3.9
105.07021	5.5
106.04168	73.0
107.04967	9.8
107.08587	12.9
109.02843	2.4
109.06495	10.7
109.10130	5.0
110.07233	2.3
111.04406	3.9
111.08041	3.8
117.03355	7.6
117.06979	2.2
118.04112	2.6
119.04922	6.6
119.08569	3.6
120.05637	1.6
121.06499	84.3
121.10131	6.9
123.04431	5.7
123.08055	5.8
124.05195	2.7
125.05982	18.0
125.09621	7.7
131.04916	12.7
131.08553	5.7
133.02846	2.2
133.06480	2.4
133.10085	4.4
133.69714	1.4
134.03622	12.1
135.04384	5.3
135.08047	7.1
135.11687	5.0
137.05977	12.3
138.03076	1.6
138.06741	3.5
139.07561	6.6
142.89349	1.3
145.02870	10.7
145.10115	5.4
147.04326	3.9
147.08034	1.8
147.11732	2.1
147.17577	1.4
148.05180	10.9
149.05971	100.0
149.09550	6.9
149.13239	5.0
151.03905	2.0
151.07533	4.7
151.11145	3.8
152.08211	1.4
153.05457	7.8
153.09093	15.8
159.04402	4.9
163.03879	4.8
163.07495	6.8
163.11185	3.8
163.14809	4.3
165.05463	3.4
165.12700	4.0
166.06187	4.1
167.07025	3.3
167.14334	3.2
173.13200	3.1
176.04691	4.1
177.05466	60.7
181.04956	1.6
181.08582	18.9
191.06993	10.5
191.10675	4.2
191.14334	10.6
194.05794	2.9
205.29608	1.3
209.04390	4.3
209.08060	27.9
209.09880	3.6
209.11703	3.9
209.15344	22.5
211.24141	1.5
213.60779	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	208.1331
Annotation	O-Methylcorypalline
Peak:m/z	Relative Intensity
52.66975	0.6
55.01868	1.0
55.05509	0.8
56.05027	0.9
56.96502	0.5
57.07068	0.8
58.06590	0.9
62.99071	1.4
63.74664	0.5
65.03912	0.6
67.05485	1.2
69.07067	3.6
69.84894	1.3
69.85297	1.6
70.06580	4.8
72.08152	3.1
74.02444	0.8
75.72005	0.5
79.05470	1.6
84.04495	1.7
84.08149	5.3
86.09689	2.0
91.05478	7.6
93.07040	0.9
94.06548	2.4
95.04981	1.2
95.08614	0.6
103.05450	2.0
105.07021	1.5
106.06537	0.9
107.04924	1.7
107.08558	0.8
107.96039	0.5
109.02850	1.1
109.06513	0.9
110.06007	0.7
110.07158	0.9
115.05427	0.8
116.06230	1.7
116.07091	0.6
117.07018	1.5
118.06516	1.1
119.05304	4.7
119.08572	3.6
120.04433	1.0
120.08092	3.5
120.08816	0.7
121.01084	3.7
121.06496	2.3
121.10088	0.6
123.04439	3.6
129.06982	2.0
129.10201	1.2
130.06519	0.6
131.04910	1.6
131.08560	24.6
132.04437	0.5
133.06444	0.7
133.10095	0.8
134.05991	2.0
135.04378	1.7
136.07527	1.7
137.05972	10.9
137.09567	0.5
141.06987	1.5
144.05688	3.1
144.08093	1.5
145.06470	1.2
146.05997	2.8
147.04474	0.6
147.06873	1.1
147.08060	2.1
148.05074	1.4
149.00566	9.4
149.05986	2.9
149.09583	0.8
150.05466	0.8
151.07520	3.7
159.08047	33.4
162.03781	1.2
162.05472	2.3
162.06757	0.9
162.09123	5.1
163.02106	0.8
164.07002	1.2
165.07857	1.3
165.09111	14.4
166.03212	0.8
166.08574	3.5
169.07602	0.8
173.09523	1.1
176.04413	0.9
177.05740	0.9
177.09102	42.7
178.03284	0.7
178.05014	0.7
179.03981	1.1
179.10699	8.9
180.04713	0.8
180.06583	1.4
185.86841	0.5
190.03209	3.2
190.04982	1.8
190.08643	2.1
190.13129	0.6
191.07289	1.0
191.10616	1.2
192.06552	1.2
193.07312	0.7
193.15834	1.1
195.82910	0.5
208.04282	5.0
208.06139	2.1
208.09731	5.3
208.13316	100.0
209.04414	1.1
209.09793	0.5
209.13628	1.7
209.15378	1.0
211.01952	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	208.0717
Annotation	Methyl 5-hydroxy-2-benzimidazole carbamate
Peak:m/z	Relative Intensity
55.01863	0.2
55.05499	0.2
58.95811	0.1
70.06580	0.4
71.11303	0.2
71.28912	0.4
72.08143	0.3
72.55151	0.2
80.05021	0.9
84.08128	0.5
86.09665	0.2
91.05468	2.0
104.68634	0.2
106.06512	0.2
107.04928	0.2
108.04465	0.4
110.06052	0.3
119.04900	0.9
120.05490	0.2
120.08117	0.3
121.06493	0.3
123.06165	0.2
130.04106	0.2
131.08543	0.4
131.55757	0.2
134.05940	0.5
135.04404	0.5
137.05968	4.1
147.06720	0.2
148.03870	0.2
148.05048	4.8
149.00551	1.0
149.05846	0.4
150.03047	0.2
151.05028	0.2
159.08015	0.7
162.05457	1.0
165.09125	0.4
166.03157	0.3
172.03891	0.3
176.04547	100.0
177.04909	1.5
177.09091	0.7
179.10606	0.2
180.04968	0.2
180.06551	6.7
190.04979	0.9
190.08684	0.2
203.99255	0.2
208.07368	20.5
208.11401	0.4
208.13292	2.3
209.07608	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	208.0967
Annotation	Thalifoline
Peak:m/z	Relative Intensity
51.19484	1.0
53.03928	1.4
55.01851	3.5
55.05500	2.7
56.05028	6.1
56.76621	1.0
56.96559	1.7
57.02209	1.0
59.06086	1.0
60.05640	2.1
65.03934	6.1
67.05476	3.4
68.04998	1.2
69.03421	1.9
69.07066	51.7
70.06583	9.2
71.04948	1.2
71.08647	5.6
72.04510	5.2
72.08138	2.0
79.05466	4.2
80.05005	2.7
81.03429	1.3
81.07036	3.3
82.02956	7.0
82.06570	2.3
83.01344	11.4
83.04967	1.4
83.06108	1.7
84.04503	79.0
84.08132	11.3
85.02879	1.9
86.09706	19.9
89.03938	1.6
91.05479	40.8
92.05804	11.2
92.81421	1.0
93.03390	2.5
93.07014	3.6
94.02922	1.9
94.06511	1.7
95.04952	4.5
95.08580	1.7
96.04468	1.2
96.08103	1.1
97.06532	25.4
103.05467	2.6
105.07012	2.9
106.04173	2.2
106.06546	2.5
106.07302	1.1
107.04946	3.3
107.08582	2.3
108.04437	2.0
109.02857	1.9
109.06489	3.5
109.10153	2.3
110.01705	2.0
110.02400	30.3
110.06049	12.8
110.06745	1.5
110.07148	3.2
111.04461	5.2
111.09173	1.2
112.08762	1.7
116.04974	1.5
119.04946	31.7
119.08532	1.2
120.04426	2.5
120.05223	10.8
120.08079	6.3
120.08885	2.5
121.02844	1.6
121.06488	7.7
121.10104	1.1
121.80909	1.0
123.04408	3.8
124.07556	4.0
124.08424	1.5
124.11188	1.4
127.90135	1.0
129.10216	2.9
131.04926	2.3
131.08536	2.3
132.05431	1.0
134.03632	1.8
134.05994	4.6
134.09628	2.2
135.04358	2.1
136.03885	3.0
136.06149	2.0
137.05978	56.9
137.09599	1.9
138.05457	6.1
138.43556	1.1
144.04446	20.9
144.08115	1.3
145.10074	1.4
146.06003	4.1
147.04405	71.2
148.04810	9.1
148.08511	1.9
149.02315	2.1
149.05998	5.3
149.06972	1.0
149.09618	3.2
150.05505	1.1
150.10152	1.3
151.03920	1.3
151.07492	2.4
152.07018	2.0
152.10722	11.2
152.53990	1.0
159.04388	1.1
162.01967	1.3
162.05402	5.9
162.09081	1.8
163.03775	1.2
163.05861	1.6
163.07553	1.3
164.07054	2.6
166.04994	7.0
166.08641	5.7
172.03929	56.0
172.10788	2.0
175.03793	1.9
176.04468	31.7
177.05443	4.2
177.09106	1.3
180.06450	5.3
180.10179	25.5
181.04910	1.2
181.06799	1.2
189.13487	1.7
190.04942	13.4
190.08601	3.3
190.13115	1.6
191.06999	2.4
193.04503	3.6
193.15887	1.4
208.06947	6.0
208.09669	100.0
208.13562	4.9
209.04501	2.3
209.06401	2.7
209.08072	2.6
209.09854	1.7
225.82835	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	208.0715
Annotation	Methyl 5-hydroxy-2-benzimidazole carbamate
Peak:m/z	Relative Intensity
53.03934	0.3
55.01861	0.2
55.05459	0.2
57.04539	0.2
60.28233	0.2
63.98458	0.2
65.03890	0.2
65.29594	0.2
67.05472	0.3
68.05029	0.2
69.00913	0.2
69.07037	0.4
70.03944	0.4
70.04354	0.6
70.06557	0.5
71.04968	0.3
72.08112	0.2
74.70699	0.2
79.05495	1.0
80.05016	3.8
81.07036	0.2
83.04948	0.2
84.08115	0.5
86.09663	0.5
91.05489	1.2
92.05785	0.6
93.06993	0.5
95.04959	0.3
97.06506	0.7
103.05446	0.3
105.04507	0.2
105.06987	0.7
105.63670	0.2
106.02853	0.2
106.07328	0.2
107.04952	0.3
107.08563	0.5
108.04491	1.0
110.06007	0.2
119.04916	0.5
120.05555	0.6
120.08090	0.3
120.08887	0.3
121.06476	0.7
121.10099	0.4
123.04316	0.2
130.03998	0.4
131.04881	0.3
131.08571	1.2
133.03976	0.2
133.06396	0.3
134.04726	0.2
134.05930	0.3
135.04520	0.2
137.05963	0.7
137.06999	0.2
145.10104	0.6
146.05956	0.3
147.04398	0.3
148.05049	11.5
149.05870	0.7
149.09573	1.1
151.04973	0.4
153.05440	0.3
156.56523	0.2
159.04268	1.7
160.05075	0.2
162.05458	0.5
163.11096	0.3
165.71758	0.2
166.05060	0.4
175.03833	0.3
176.04539	100.0
177.04890	1.4
180.07697	1.3
180.10172	0.4
190.12973	0.3
191.06895	0.5
191.10658	0.4
208.07172	26.2
208.09537	1.5
208.17003	0.6
209.04518	0.3
209.07561	0.4
209.11691	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	208.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03445	0.9
55.01859	1.9
55.05507	1.6
56.05039	1.1
56.96568	0.7
57.07070	0.9
58.06576	0.8
67.05489	2.2
68.04971	0.7
69.07076	1.0
70.06586	6.5
71.04975	0.7
71.58743	1.1
72.08151	4.5
77.03904	0.6
78.04646	0.6
79.05478	3.5
81.03400	0.8
83.04961	0.9
83.06091	1.1
84.04499	1.6
84.08146	10.4
85.02893	1.1
86.09708	4.5
91.05482	9.1
92.05801	1.5
93.03416	0.7
93.07039	1.3
94.06559	1.9
95.04956	2.0
95.08591	1.0
98.06084	1.0
102.04685	2.2
103.05468	1.9
104.05013	0.8
105.05772	0.8
105.07012	1.7
106.06573	6.7
106.07287	1.4
107.04945	2.6
107.08544	0.9
109.02881	1.5
109.06470	1.0
109.07625	0.7
110.06044	0.8
110.07106	1.0
111.02643	1.5
112.08727	0.9
116.07069	0.8
118.06528	1.9
119.04956	4.3
119.07315	1.4
119.08572	1.3
120.08123	4.8
121.01090	23.4
121.06488	2.3
121.10145	0.8
122.05994	1.7
123.02668	5.1
123.04414	1.4
125.00654	0.7
129.10226	2.3
129.69077	0.7
130.04138	2.7
131.04880	1.3
131.08545	4.8
133.05214	7.7
134.01883	1.6
134.06023	12.4
135.02635	8.0
135.04430	1.8
135.06807	5.8
136.07558	6.2
137.05965	7.9
137.09581	2.1
138.03711	3.5
139.02130	8.9
145.10136	0.9
146.06004	10.9
147.04376	0.7
147.06787	20.0
147.07813	0.7
148.05080	1.4
148.08536	1.0
149.00562	100.0
149.05972	2.8
149.09625	0.8
150.10138	0.9
151.02127	7.9
152.02954	0.9
152.05299	2.0
152.07079	0.8
153.03671	4.8
159.08066	7.8
162.03755	7.0
162.05461	6.9
162.09137	1.9
163.02118	7.7
163.03383	1.0
163.03845	0.6
165.02483	1.2
165.09102	4.2
166.03218	28.9
166.08617	2.4
170.06020	1.1
171.71690	0.7
176.04575	1.6
177.05476	1.5
177.09094	10.8
178.03229	1.3
179.04024	1.3
179.10681	1.2
180.04797	30.9
180.06514	4.0
180.10214	1.3
181.05006	1.4
190.03403	0.8
190.04976	1.4
190.08646	2.5
191.01682	0.8
191.07111	0.8
191.10664	0.8
193.15880	2.5
194.05762	1.2
208.04280	90.1
208.06017	5.9
208.09592	4.2
208.11771	1.1
208.13319	21.7
209.04530	2.5
209.08118	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	207.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02374	1.4
53.03946	2.7
55.01862	2.2
55.05511	6.4
57.03417	0.9
57.07076	5.0
59.04998	1.7
63.02334	0.7
65.03932	9.1
66.93125	0.6
67.05502	33.6
68.05849	0.6
69.03419	5.7
69.07075	3.9
70.82871	1.6
71.05000	3.0
77.03936	1.9
77.23355	0.7
78.04694	0.7
79.05489	10.4
79.54720	0.6
80.06275	1.1
81.03428	1.1
81.07053	8.3
83.04969	4.8
83.08619	1.6
84.08118	1.0
85.02900	1.9
85.06534	9.2
89.03898	4.5
90.04693	1.8
91.05476	90.1
92.05814	2.3
93.03413	1.3
93.07037	17.0
95.04968	7.7
95.08601	100.0
96.08940	1.1
97.06516	3.1
103.05441	3.2
104.02632	1.5
104.06278	0.7
105.03407	1.4
105.04523	0.7
105.07027	30.2
106.04134	0.8
107.04959	4.1
107.08586	24.4
107.09314	1.3
108.05738	1.4
109.06509	6.8
109.10157	7.5
111.04453	0.8
111.08071	2.2
113.06004	4.0
116.06217	1.2
117.07043	3.1
118.04166	7.9
119.04937	76.7
119.08572	36.0
120.05280	1.2
120.08106	1.6
120.09332	1.7
121.02868	2.5
121.06494	7.3
121.08450	0.7
121.10139	17.9
123.04425	0.9
123.08058	57.4
123.11703	6.9
125.05975	1.1
125.09576	0.9
128.06206	2.1
129.03333	1.6
129.06967	2.6
130.07808	1.1
131.04866	0.9
131.08559	6.0
132.02060	6.8
133.02835	1.5
133.05530	0.6
133.06438	3.3
133.10123	11.9
135.04414	3.3
135.05365	0.6
135.08038	3.0
135.11702	3.4
136.05164	2.6
136.07562	2.6
137.05962	2.1
137.09612	8.3
137.13255	1.7
139.07556	1.1
143.08562	3.9
144.08101	0.9
145.02841	2.3
145.06461	1.7
145.10170	3.1
146.03635	4.5
146.06015	0.6
146.10934	0.7
147.04399	56.6
147.08040	9.4
147.11688	18.7
148.04817	1.9
149.02339	10.1
149.09612	43.7
150.03033	1.2
150.09981	0.9
151.07552	2.8
151.14792	4.1
153.09100	1.0
156.09335	3.1
157.03941	5.5
159.08029	2.6
159.11696	1.5
160.08878	1.4
161.06003	1.3
161.09612	12.2
161.13242	23.2
162.09122	1.1
163.03905	2.3
163.11206	4.1
164.04701	5.2
165.09090	4.1
165.12741	10.7
171.11636	5.1
174.03130	3.1
174.10393	4.4
175.03897	65.4
176.04413	3.5
177.01822	2.1
178.02530	0.7
179.07043	6.5
179.10600	1.1
179.14330	2.5
189.09126	1.6
189.12737	21.5
192.04169	19.3
207.06517	33.4
207.10074	2.8
207.13792	32.9
207.17067	0.7
208.07076	1.2
208.14168	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02383	0.8
53.03942	1.7
55.01871	1.6
55.05511	6.5
57.07074	4.8
58.94820	0.7
59.04994	1.6
65.03934	7.4
67.05501	33.8
68.96399	0.7
68.99787	0.9
69.03423	5.5
69.07062	3.0
71.02842	2.1
71.04983	2.8
77.03922	2.0
79.05491	8.1
80.06248	1.3
81.07056	7.9
83.04977	4.1
85.06538	9.4
89.03907	3.0
90.04713	1.3
91.05476	76.1
92.05809	1.8
93.03397	1.2
93.06487	1.3
93.07041	14.5
94.07427	0.9
95.04967	5.5
95.08601	100.0
97.06521	1.4
103.05462	3.3
104.02605	1.0
104.05772	1.1
105.07023	25.0
107.04935	2.2
107.08586	24.1
107.78692	0.8
108.05762	2.1
109.06503	7.9
109.10157	6.1
111.04468	0.8
111.08083	2.1
113.06007	3.5
113.63483	0.8
115.05429	1.0
117.06995	2.0
118.04149	5.5
118.59011	0.7
119.04936	53.0
119.08574	34.0
120.05289	1.1
120.08080	1.3
120.09379	1.1
121.02843	2.4
121.06506	5.0
121.08452	3.6
121.09319	1.5
121.10144	16.2
123.08062	55.8
123.11687	8.4
125.09608	1.2
126.38043	0.8
128.06241	1.7
129.06963	1.4
131.08575	5.7
132.02065	4.7
133.02829	0.7
133.06490	3.5
133.10127	9.8
134.10448	0.7
135.04382	2.8
135.08052	3.2
135.11661	3.6
136.05176	2.9
136.07597	1.0
137.05962	1.0
137.09621	6.7
137.13184	1.7
139.07579	1.1
143.08548	2.0
144.84721	0.8
145.02818	2.0
145.06552	0.9
145.10106	3.3
146.03610	2.7
147.04401	44.7
147.06302	1.8
147.08046	9.0
147.11676	17.8
149.02310	7.3
149.09613	43.7
151.07529	2.4
151.14792	3.4
153.09138	0.8
156.09335	2.7
157.03960	5.0
159.08047	2.8
159.11711	1.3
160.08832	1.7
161.09621	7.6
161.13248	19.1
162.03156	0.9
163.03853	1.2
163.11194	4.0
164.04709	3.5
165.09062	2.2
165.12729	9.7
171.11713	3.1
174.03145	2.3
174.10400	4.2
175.03899	51.6
176.04428	2.1
177.01813	1.3
178.69524	0.9
179.06960	4.4
179.10710	0.9
179.14323	2.7
189.09137	1.2
189.12735	16.6
192.04141	12.1
207.06520	26.1
207.08444	1.8
207.10127	1.4
207.13789	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02376	1.0
51.52709	0.7
53.03947	8.1
55.01861	2.1
55.05513	8.3
57.03441	1.0
57.07048	0.8
60.90467	0.7
65.03922	1.8
67.05502	27.0
69.07064	5.7
71.02721	2.0
71.04977	2.2
73.06555	1.2
77.03902	1.5
79.05491	49.9
81.03416	1.2
81.07052	24.5
83.04981	2.8
83.08615	2.0
85.02890	0.8
85.06532	2.7
91.05478	55.6
92.05829	1.2
93.07038	100.0
94.07391	1.4
95.04961	16.5
95.08605	9.4
95.95351	0.7
97.06512	1.8
97.10146	1.6
105.04523	2.7
105.07027	25.7
107.04948	1.0
107.08583	12.8
107.95860	0.7
109.06507	4.5
109.10158	1.3
115.96453	1.7
117.07016	4.6
119.04926	1.9
119.08573	17.0
121.06508	2.5
121.10139	2.7
123.08060	4.0
127.07526	1.3
128.06223	1.0
129.07005	11.1
131.08592	1.6
133.10150	5.3
133.97508	1.0
135.11700	1.2
137.09659	0.8
143.08545	6.4
145.10114	7.1
147.04428	2.3
147.08044	3.1
147.11682	53.6
148.12016	1.1
151.07574	1.1
156.09349	1.1
161.09683	4.1
161.13263	8.7
163.03889	1.0
165.12674	0.8
171.11685	22.1
175.03906	1.8
189.12740	10.0
192.04198	2.1
207.06487	5.5
207.13795	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	207.1126
Annotation	Donaxaridine
Peak:m/z	Relative Intensity
55.01858	1.2
56.05015	4.2
58.06601	17.3
62.66996	1.1
67.79034	1.1
70.06580	2.9
70.15373	2.1
70.15766	3.3
79.05466	4.2
80.06252	3.3
84.04500	1.5
84.08118	4.8
91.05470	15.0
93.07037	4.3
95.04932	2.0
95.08550	1.4
96.08080	1.1
97.54943	1.2
98.21423	1.4
103.05476	17.4
104.05305	3.1
105.07020	4.3
106.06551	3.0
107.04928	5.6
107.08575	1.7
108.05708	4.1
110.07161	1.9
113.07079	2.2
115.03937	2.0
118.06494	2.0
119.04937	11.3
119.08591	1.8
120.08083	2.7
121.06504	11.0
122.06036	2.1
123.04437	1.6
129.10211	1.3
130.06509	12.5
131.04924	33.0
132.08028	1.6
133.06477	3.6
133.07454	1.6
134.05978	3.8
134.09656	1.3
135.04405	2.6
136.05202	30.6
136.07526	3.8
137.05930	4.3
144.08076	2.6
146.06001	2.2
147.04369	2.9
147.11693	2.0
148.03873	2.4
148.07553	15.2
149.05974	80.4
150.05513	3.6
151.07498	1.4
158.05989	13.2
159.04398	7.4
160.07571	3.5
161.10748	2.2
162.05498	7.1
162.09135	6.0
163.03935	2.2
164.07069	7.9
165.07774	2.4
166.08572	4.6
167.05734	5.1
167.07022	3.8
167.09433	36.1
168.09715	1.3
172.07542	2.3
175.03859	2.4
176.07060	100.0
177.07437	2.6
178.08630	2.4
179.11821	1.6
180.06546	4.7
180.10138	1.2
184.04756	1.2
189.10173	8.6
190.04979	3.3
190.08658	7.8
206.65369	1.3
207.02925	1.7
207.07721	4.9
207.11267	87.0
208.06088	2.8
208.09668	7.6
208.11549	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02371	1.0
53.03945	7.0
54.59722	0.6
55.01874	1.1
55.05512	6.3
55.06109	0.6
56.96567	1.0
57.03445	0.8
57.07071	1.6
59.05009	0.6
60.68874	0.5
60.99978	0.6
65.03935	2.9
67.05505	23.7
69.03428	2.0
69.07066	6.5
71.05006	3.2
71.57866	0.7
77.03914	1.4
79.05492	45.5
80.61221	0.5
81.03418	1.8
81.07054	22.9
81.07537	1.2
83.04990	2.9
83.08602	2.2
85.02893	1.8
85.06551	3.1
89.03936	0.9
91.05482	60.1
92.05820	1.0
93.07042	100.0
94.07364	1.7
94.28645	0.6
95.04971	14.6
95.08608	11.3
97.02905	0.7
97.06527	1.4
97.10182	0.9
103.05498	1.8
105.03393	0.7
105.04514	3.0
105.07033	29.0
107.04951	1.4
107.08590	10.9
109.06507	4.6
109.10146	1.3
111.08114	0.7
113.05978	1.1
115.05432	0.7
115.96453	3.7
116.97230	1.5
117.07047	5.1
118.04160	1.1
119.04929	5.4
119.08580	17.4
120.08112	1.0
121.06513	2.0
121.10135	3.8
123.04407	0.7
123.08069	6.2
123.11707	1.8
127.07553	1.0
128.06212	1.5
129.07004	8.8
131.08582	2.0
133.06509	1.6
133.10124	6.2
133.97466	2.4
135.08031	1.3
137.06006	0.6
137.09592	1.1
137.62859	0.6
143.08525	4.8
145.10132	8.7
147.04411	5.7
147.08025	2.5
147.11685	57.6
148.12033	1.3
149.02356	1.3
149.09621	3.7
151.07545	2.5
151.11139	0.8
156.09335	1.5
159.11653	1.0
161.06007	1.5
161.09634	3.3
161.13246	8.7
162.05420	0.7
163.03922	2.5
163.11285	0.7
164.04659	1.1
165.09050	0.8
165.12764	1.3
171.11688	19.8
174.10342	0.8
175.03896	5.3
176.04529	0.9
179.07050	1.0
179.08743	0.6
189.05414	0.9
189.09129	1.0
189.12743	13.7
189.16396	0.8
192.04160	4.7
198.12323	0.6
207.02856	1.0
207.06520	12.4
207.08347	1.4
207.13780	20.4
207.17389	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	207.1016
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
51.15242	0.5
51.45906	0.5
53.03956	1.7
55.01873	2.3
55.05499	3.6
55.43541	0.5
55.76394	0.5
56.96574	1.0
57.03450	1.8
57.07087	1.3
60.60422	0.5
65.03936	3.9
67.05500	17.5
68.05031	0.7
69.03424	4.1
69.07061	2.7
70.02972	0.5
70.06597	2.7
70.22964	2.4
71.05003	1.9
72.08173	0.7
77.03918	0.7
79.05489	12.0
80.05843	0.5
81.03408	5.0
81.07051	3.8
83.04980	5.1
83.08617	0.8
84.04525	1.3
84.08148	2.4
85.02894	1.9
86.09709	1.7
89.03933	1.1
91.05476	69.9
92.05821	1.2
93.07033	5.8
95.01319	3.0
95.04961	8.0
95.08595	5.0
96.08141	0.7
97.02878	0.9
97.06550	1.0
98.97564	0.6
99.04446	1.3
102.14397	0.6
103.05449	4.3
105.03410	1.5
105.04528	1.0
105.07025	45.9
106.06629	0.9
106.07356	0.9
107.04944	5.7
107.08588	4.1
108.05681	0.7
109.02850	0.9
109.06514	4.0
109.07643	0.6
109.10150	1.9
110.06053	0.6
110.07175	1.5
111.04446	2.2
111.08064	0.8
115.05443	3.3
116.98617	1.1
117.06233	1.1
117.07014	13.9
118.04171	1.8
119.04937	20.2
119.08574	69.3
120.04498	0.6
120.08115	1.1
120.08929	0.6
121.02847	0.5
121.06487	3.5
121.07542	0.5
121.10101	2.7
123.04455	4.2
123.08059	5.4
123.11728	1.7
125.05962	1.1
128.06216	12.3
129.06041	1.2
129.06999	24.4
131.04970	1.0
131.08577	2.0
132.02075	1.6
132.05664	0.8
133.02878	0.9
133.06519	3.1
133.07417	0.8
133.10110	11.6
134.06006	2.9
135.04416	1.9
135.08055	2.0
136.05196	1.5
136.07596	1.7
137.05969	2.7
137.09642	3.0
139.03886	0.8
141.05408	3.0
141.07016	0.7
143.08551	24.8
145.06444	5.4
145.10146	2.1
146.03619	1.7
146.07245	0.8
147.02583	2.2
147.04407	17.1
147.08037	100.0
147.11655	4.6
148.03961	1.1
148.05075	1.3
148.08479	1.5
149.02330	2.4
149.05962	0.7
149.09628	3.8
151.03886	0.8
151.06345	0.6
151.07538	2.1
152.07072	0.6
153.06920	3.2
156.09331	1.3
157.03955	1.2
161.05943	2.7
161.09604	16.4
161.10941	1.0
161.13268	2.1
162.05539	4.8
163.03882	1.5
163.07538	1.4
163.11206	1.4
164.03384	0.7
164.04689	1.6
165.05505	2.7
165.07816	1.1
165.09099	9.4
165.12708	2.7
166.09793	0.6
171.08046	3.3
171.11705	1.2
174.03217	1.3
175.02324	1.2
175.03893	19.0
176.04524	8.7
176.06975	0.8
178.03169	0.8
179.03500	1.1
179.06964	2.3
179.08325	0.8
179.10606	2.8
180.06482	4.6
189.05373	1.0
189.09076	16.7
189.12784	2.5
189.16269	0.7
190.04988	1.4
192.02583	1.0
192.04149	4.4
207.02849	2.4
207.04712	2.1
207.06441	13.2
207.07942	1.1
207.08452	1.2
207.10132	28.2
207.11900	1.1
207.13751	7.9
207.17349	1.9
208.05927	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	207.065
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02385	1.2
53.03942	1.4
55.01871	1.3
55.05502	1.9
56.96553	0.7
64.03175	1.1
65.03929	8.8
67.05496	2.8
69.03429	1.6
69.07062	1.4
70.01012	3.5
71.04989	1.0
76.03145	1.2
77.03925	2.4
79.05491	4.4
80.06284	1.5
81.03389	0.9
81.07072	4.2
83.04972	1.2
89.03913	4.5
90.04697	1.3
91.05475	100.0
92.05820	1.1
93.03393	1.4
93.07039	3.3
95.04951	4.4
95.08604	3.1
103.05495	4.0
104.02610	1.7
105.03382	2.4
105.07022	5.7
106.04176	0.9
107.04934	1.8
107.08584	2.5
108.05737	3.1
109.06519	1.7
115.96390	0.7
116.79216	0.7
117.03382	1.7
118.04169	6.3
119.04935	97.9
119.08568	5.3
120.05276	1.2
121.02858	3.5
121.06489	3.8
121.10137	2.1
122.03642	1.0
123.04446	2.7
123.08060	3.8
123.11745	1.4
129.03358	1.7
129.04451	1.3
129.07042	0.9
131.04880	1.1
132.02051	6.9
133.02878	1.4
133.06488	1.7
133.10143	4.3
134.03682	2.0
135.04391	4.1
136.05193	6.5
137.05992	1.3
137.09601	0.7
145.02831	1.7
145.10161	1.0
146.03587	4.7
147.04401	75.5
147.08061	2.3
147.11639	4.2
148.04858	1.8
149.02332	16.9
149.05960	2.6
149.09616	4.5
150.03139	0.9
151.07536	6.6
157.03946	6.1
161.05885	1.3
161.09560	1.2
161.13277	2.5
163.03922	4.7
163.11206	0.8
164.04683	15.1
165.05278	1.0
165.09064	1.5
165.12746	1.2
174.03110	5.4
175.03896	85.0
176.04277	1.6
177.01750	0.8
177.05453	1.2
179.07008	17.2
179.08568	1.0
189.12749	3.3
191.03442	1.8
192.04158	13.0
207.06519	57.9
207.09752	1.4
207.13750	5.7
207.17477	2.3
208.06874	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	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.01610	0.4
51.02367	0.8
52.54612	0.5
53.00304	0.4
53.03938	1.6
55.01865	1.6
55.05507	2.1
56.05043	0.7
56.96559	0.7
57.03421	0.9
57.07074	0.8
60.04523	0.5
63.02356	1.0
65.03934	9.3
67.05505	2.8
68.99798	0.6
69.03431	2.9
69.07057	2.7
70.06584	1.5
71.04987	1.3
71.56996	0.6
76.03135	0.8
77.03916	1.8
79.05496	4.7
80.06255	1.0
80.10672	0.4
81.03402	1.4
81.07053	3.0
83.05002	2.9
84.04488	1.2
84.08136	3.3
85.02883	1.8
85.06539	1.1
86.09686	1.5
87.05594	0.5
89.03911	7.0
90.04704	1.4
91.05476	100.0
92.05804	1.5
93.03403	0.9
93.07036	4.1
94.04185	0.7
94.06590	0.7
95.04969	4.0
95.08593	3.8
97.06516	1.7
101.03913	0.6
103.05457	3.4
104.02573	1.0
105.03399	2.7
105.04530	0.6
105.07020	7.6
107.04964	3.8
107.08562	3.8
108.05717	2.2
109.02850	0.6
109.06519	2.8
109.10137	1.3
110.07164	0.7
111.08086	0.8
115.05479	1.1
115.96404	0.5
116.98590	0.7
117.03360	1.3
117.07001	1.3
118.04159	5.7
119.04934	93.5
119.08569	7.1
120.05268	1.4
120.08075	1.7
121.02851	2.4
121.06519	2.6
121.07680	0.4
121.10141	2.5
122.03632	1.5
123.04420	1.7
123.08061	4.2
123.11697	1.5
128.06194	0.7
129.03358	1.8
129.04506	1.1
129.06996	0.9
129.10185	0.8
131.04901	1.8
131.08568	1.5
132.02061	7.9
133.02831	2.2
133.06468	1.6
133.10115	3.2
134.03621	0.9
134.06020	1.1
135.04401	3.8
135.08032	1.4
135.11659	1.1
136.05202	3.4
136.07578	1.2
137.05942	2.4
137.09592	2.0
143.08525	2.1
144.08046	1.3
145.02829	1.8
145.06464	0.7
145.10092	1.3
146.03627	4.7
146.05977	0.6
147.04401	75.8
147.08026	6.4
147.11685	6.2
148.04932	1.5
149.02332	11.3
149.05965	1.5
149.09598	4.6
150.03065	1.9
151.03964	0.5
151.07527	3.4
156.09285	1.1
157.03963	7.7
158.05841	0.6
159.11761	0.5
161.05965	1.7
161.09537	2.5
161.13229	3.3
162.03162	1.1
162.05511	0.6
162.09114	1.3
163.03862	2.2
163.11171	1.1
164.04700	5.5
164.06984	0.6
165.05446	0.9
165.09067	1.2
165.12698	1.1
171.11659	1.2
174.03139	4.3
175.03899	90.7
176.04349	3.2
177.01854	1.6
177.05423	0.9
179.07010	8.3
179.14247	0.7
189.05429	1.1
189.09109	2.0
189.12740	4.4
190.05016	0.9
191.58571	0.7
192.04147	16.1
207.03142	1.3
207.06512	41.7
207.10101	3.8
207.13812	7.6
207.17409	1.7
208.06342	0.9
208.09639	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	206.1176
Annotation	Bellendine
Peak:m/z	Relative Intensity
55.05497	0.6
56.00011	0.3
56.05026	0.7
56.96564	1.6
57.03430	0.7
57.07063	0.5
58.06575	1.0
60.04521	0.8
61.38119	0.3
62.34067	0.3
65.03928	0.6
67.05489	0.5
68.05006	0.5
69.03436	0.4
69.07066	0.6
70.06590	1.6
71.40905	0.3
71.50735	0.4
72.08122	0.9
73.02918	0.7
74.06090	0.4
76.33936	0.3
78.65688	0.3
80.05041	0.4
81.03415	0.4
81.07018	0.3
82.06576	0.4
83.06081	0.7
84.04477	0.6
84.08155	2.6
85.02886	0.4
86.09690	1.4
89.03899	0.6
91.05473	4.1
92.05798	0.5
94.06581	0.5
95.06104	0.5
96.08103	0.3
97.02884	0.8
98.97550	0.4
100.11182	0.3
103.05450	1.4
104.04929	0.3
105.07027	1.5
107.04983	0.4
109.02891	0.9
109.06480	0.6
109.07619	0.3
110.06038	0.5
110.07146	0.8
110.97581	0.7
111.04455	0.5
115.05428	0.5
116.05311	0.4
117.05778	0.4
117.06998	0.4
118.06528	1.8
119.04942	3.0
119.08563	0.6
120.08129	0.5
121.06441	0.6
122.03214	0.7
122.07140	0.4
122.08379	0.3
123.02626	0.4
123.04438	0.5
123.07980	0.4
128.06189	1.2
128.98586	1.2
130.04126	0.7
130.06471	0.5
131.04932	0.7
131.07365	0.4
131.08559	1.5
132.04449	1.1
132.08073	0.8
133.02867	0.5
133.06549	0.4
133.07457	0.4
134.99678	0.5
135.04399	0.6
136.07579	0.7
137.05954	1.3
141.05481	0.8
143.08560	3.1
145.05125	0.5
146.06009	2.9
146.99696	1.7
147.04404	3.0
147.08029	0.5
148.04004	0.3
148.05180	1.2
148.08688	0.5
149.02301	1.9
149.05992	0.5
149.09575	0.5
150.02661	2.6
150.05511	0.3
159.06828	0.6
159.08034	1.5
160.03891	1.2
160.05202	2.4
160.07596	1.4
160.11203	1.6
161.05957	3.2
161.09602	0.6
162.05496	4.3
163.03891	0.4
163.06250	1.4
163.07523	0.7
164.07063	5.9
168.28122	0.3
169.04929	1.9
171.08095	2.3
173.01173	0.5
174.05447	0.6
174.06773	0.5
175.03876	1.7
176.07068	3.4
177.07840	42.2
178.03355	0.6
178.04913	8.7
178.08568	3.9
178.12187	0.5
179.07030	0.4
188.03365	0.5
188.06966	0.8
188.10703	2.7
189.09042	1.5
189.11328	0.9
190.05032	0.4
190.08549	0.5
191.09381	1.0
191.14291	1.5
192.04184	0.5
193.10851	0.5
193.72374	0.3
196.70033	0.3
204.10262	0.5
206.02673	0.8
206.04526	3.9
206.08145	6.2
206.11755	100.0
207.02916	0.6
207.06516	1.6
207.12177	1.7
207.13837	0.5
229.00272	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	206.0812
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
53.03949	0.3
56.96566	0.2
59.55490	0.1
60.76369	0.1
67.05501	0.1
67.70778	0.1
68.99795	0.6
69.67899	0.6
69.68310	0.4
70.02953	0.8
73.38200	0.1
77.03897	0.2
77.50545	0.1
79.05485	0.3
85.02903	0.2
87.00824	1.9
91.05478	3.4
93.07041	2.8
94.06546	0.1
95.04980	0.6
98.97559	0.2
103.05463	14.4
104.04906	0.2
104.05774	0.2
105.03380	1.4
105.07018	0.2
117.05729	0.2
117.07033	0.2
118.06538	17.5
119.04929	0.7
119.08556	0.2
120.08097	100.0
121.06514	0.3
121.08421	1.6
124.08397	0.1
128.04958	1.5
145.06442	0.2
146.06003	17.7
147.04391	0.7
147.06357	0.3
147.31306	0.2
148.07555	0.2
148.30807	0.2
149.02339	0.1
160.07585	0.5
161.06013	0.2
164.07057	0.4
174.05495	0.4
175.03876	0.5
178.08582	0.2
186.99149	0.3
188.07060	9.9
189.07455	0.2
206.04617	0.3
206.08121	6.0
206.12393	0.2
207.06447	0.3
207.13795	0.2
222.70703	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03931	2.3
55.05507	14.6
57.06802	1.1
57.07070	14.0
60.04513	1.9
61.89545	0.9
65.03931	7.2
67.05503	14.6
68.41480	1.0
69.03435	2.2
69.07062	27.1
71.25269	1.0
71.25600	1.1
79.05485	13.7
81.03405	3.4
81.07053	53.8
83.08611	10.2
84.04493	2.4
85.02895	2.7
85.04815	1.9
91.05449	9.1
91.35365	1.0
93.03370	2.1
93.07037	56.0
94.07350	1.3
95.04951	2.6
95.08601	38.1
96.04472	1.5
97.02880	10.0
97.10159	10.5
98.03220	2.0
99.04437	1.3
103.05449	1.2
105.07029	8.6
107.08585	47.3
107.61961	1.0
109.02859	3.4
109.06487	2.0
109.10151	33.0
111.11696	4.0
114.05482	1.3
115.05875	1.2
117.07024	2.2
119.08563	3.5
121.02854	15.8
121.03947	2.7
121.06487	2.6
121.10132	87.9
122.10481	2.0
123.11700	16.5
126.05546	1.4
127.03918	2.1
127.05856	2.3
131.08543	1.8
131.97409	1.4
133.07602	1.0
135.11685	32.3
137.13222	2.5
145.02766	1.2
145.06415	1.6
145.10129	2.8
145.43216	1.0
147.11554	1.1
149.02327	100.0
149.05934	1.9
149.13251	53.3
150.02687	4.1
150.13628	1.5
159.11717	1.7
163.11200	1.3
163.14810	6.1
167.03365	2.1
169.06894	1.1
177.05437	2.3
177.12755	2.3
177.16418	1.2
177.67210	0.9
178.08604	1.3
187.07800	1.4
187.11177	1.2
187.14871	1.6
190.04921	1.8
202.77342	1.0
205.04916	5.1
205.08817	4.7
205.12183	4.0
205.14101	4.5
205.15918	5.2
205.19508	31.2
206.08148	2.7
206.19965	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	206.0449
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
69.07046	0.3
70.06589	0.5
71.26786	0.2
74.53024	0.2
81.03411	0.4
84.08130	0.8
86.09681	0.4
91.05459	0.5
104.04977	0.3
105.03375	1.4
110.07098	0.2
117.05808	0.2
118.06511	0.3
123.04437	0.3
124.16080	0.2
129.51070	0.2
131.37123	0.2
132.04424	2.1
133.02824	0.4
137.06001	0.4
146.06021	0.3
150.02711	0.5
150.05525	1.7
151.03876	0.3
160.03963	0.3
160.05273	0.2
160.07419	0.2
164.07037	0.3
171.08148	0.2
177.07867	1.8
178.04984	100.0
179.05322	1.2
188.07130	0.3
191.14262	0.3
206.04478	44.2
206.08119	1.6
206.11729	4.9
207.04816	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	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02378	0.5
53.03936	1.0
55.01858	0.8
55.05503	1.8
57.07065	1.4
58.35389	0.4
58.99567	0.8
65.03922	0.9
67.05495	3.1
69.03419	3.4
69.07055	0.9
70.59088	1.3
71.04983	2.5
76.02216	0.5
79.05487	6.4
81.03417	1.0
81.06600	0.6
81.07050	9.3
82.07368	0.9
83.04978	0.6
83.08642	0.5
84.08174	0.4
85.02903	0.8
86.99020	0.4
91.05475	10.0
92.12029	0.4
93.07040	7.2
95.04976	2.1
95.08587	0.9
97.02890	1.4
97.06512	4.6
99.04451	1.8
100.11249	1.2
101.11578	1.1
103.05466	1.5
105.07024	21.6
106.07371	0.5
107.04939	1.2
107.08584	5.0
109.06511	32.3
111.04477	0.4
113.06021	0.4
115.05431	2.7
115.55269	0.4
116.06190	0.8
117.07011	12.6
118.06519	0.6
119.08571	7.6
120.08096	0.7
121.02862	1.5
121.06496	7.6
121.10136	1.9
123.04515	0.4
123.08052	1.0
125.05961	0.4
127.03900	0.5
127.07463	0.4
128.06203	1.4
129.06966	4.3
130.07782	8.6
131.04951	0.9
131.08565	11.6
133.06528	0.4
133.10144	1.8
135.04433	0.6
135.08037	1.7
135.11699	1.0
137.05981	0.8
141.06976	1.3
142.07748	1.0
143.08556	7.1
144.09326	5.1
145.06505	3.4
145.10114	100.0
146.05991	1.4
146.10550	1.3
147.08067	1.1
147.11707	0.6
149.02324	9.4
149.05954	2.5
149.09618	0.5
149.13338	0.7
154.07747	1.4
157.10114	1.7
157.12144	0.4
159.08046	1.4
159.11681	32.3
160.12032	0.6
161.09639	1.5
161.13225	0.7
163.03952	0.5
163.07541	2.5
163.11182	3.7
169.10106	4.4
172.08852	1.1
173.05966	1.3
175.11145	0.6
177.05464	0.7
177.09128	0.4
177.12711	3.5
187.11166	14.2
188.08368	0.9
205.04991	1.0
205.08603	1.5
205.12241	36.3
205.15881	1.8
206.08133	0.5
206.12610	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	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02361	0.7
53.03936	1.3
55.01860	1.2
55.05508	1.7
57.03440	0.6
57.07074	3.3
60.04526	1.2
61.02934	0.5
61.04847	0.5
65.03947	1.6
67.05499	2.9
69.03427	3.8
69.07077	2.4
69.98848	2.3
70.06567	0.5
70.63976	0.5
71.04996	3.3
73.02898	0.4
79.05486	5.8
81.03410	1.6
81.07059	6.0
83.04978	1.6
83.08616	0.8
84.04490	0.7
84.08167	0.5
84.51158	0.5
85.02913	1.9
85.03595	0.5
91.05476	11.5
91.06026	0.8
93.07044	7.7
95.04984	2.4
95.08603	2.2
97.02871	3.9
97.06509	2.1
99.04442	3.7
103.05467	2.3
104.06300	0.5
105.07028	33.4
107.04945	1.4
107.08578	7.1
109.02882	1.3
109.06514	10.0
109.10149	1.0
111.04430	1.3
115.05422	5.3
115.06062	0.4
116.06239	1.0
117.07019	17.6
118.06564	0.9
119.08578	12.0
120.08097	2.0
121.02885	3.5
121.03688	0.5
121.06497	6.1
121.10159	2.6
123.08044	0.6
125.05958	0.6
127.03903	0.6
127.05869	0.7
128.06236	1.6
129.07011	5.5
130.07782	9.0
131.04950	1.2
131.08566	16.8
133.06477	1.2
133.10135	2.6
135.04401	0.9
135.08055	2.8
135.11662	2.2
137.05968	1.1
141.06953	0.7
141.11441	0.8
142.07805	0.9
143.08543	5.3
144.05634	0.7
144.09338	7.4
145.02843	0.6
145.06496	8.1
145.10117	100.0
146.06013	1.9
146.10580	1.1
147.08067	2.0
147.11646	1.3
149.02342	24.4
149.05943	5.5
149.09602	1.2
149.13271	1.4
154.07716	0.7
154.12259	0.8
155.06062	1.2
157.10117	1.9
158.07178	0.6
159.08110	4.1
159.11685	47.2
160.12085	0.9
161.05962	1.4
161.09637	1.4
161.13269	1.4
162.03024	0.6
163.07521	4.1
163.11179	3.9
169.10117	2.7
172.08812	1.2
173.05981	3.7
175.11177	1.0
177.05508	2.2
177.09106	0.9
177.12744	5.2
181.97919	0.7
187.03917	0.5
187.07613	0.9
187.11172	10.1
187.14822	1.2
188.07031	0.9
190.06206	0.7
190.11922	0.5
205.04950	3.4
205.06754	0.8
205.08772	4.7
205.12233	41.1
205.13936	1.7
205.15915	3.1
206.08115	1.3
206.12526	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	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
52.22573	0.5
53.03941	3.7
53.97720	0.5
55.01851	1.4
55.05489	2.2
56.05027	0.7
56.96552	0.9
57.03436	0.8
57.07074	7.1
59.55758	0.5
60.04518	2.9
61.02908	0.6
61.04845	0.6
62.75681	0.5
63.21245	0.5
65.03931	2.9
67.05479	2.1
68.05034	0.6
69.03427	3.7
69.07057	1.2
70.06590	2.7
71.04965	0.8
71.57058	0.8
72.08144	2.1
79.05487	3.9
81.03436	2.6
81.03815	0.5
81.07043	1.9
83.04958	1.4
83.08623	0.7
84.04483	0.9
84.08125	3.2
85.02896	2.2
86.09700	0.8
86.77325	0.5
91.05477	23.5
93.03389	1.0
93.07038	62.4
95.04966	7.7
95.08591	1.9
97.02896	3.2
97.04848	0.7
97.06502	1.0
98.97517	0.5
99.02671	0.6
99.04471	1.0
103.05464	5.5
104.98313	4.3
105.04507	1.8
105.07022	5.9
107.04944	1.1
107.08589	3.9
109.02864	1.9
109.06512	1.4
109.10089	0.8
110.07164	0.8
111.04443	1.1
115.05420	0.8
116.98582	0.7
117.07004	4.4
118.06538	1.9
119.04935	0.8
119.08572	3.8
120.08083	3.6
121.02869	6.6
121.06497	100.0
121.10081	2.5
122.06846	1.2
123.04413	0.9
123.08089	0.6
127.03903	0.9
127.05856	0.8
128.06215	1.1
129.07001	2.1
129.10202	0.7
129.92964	0.6
130.07739	0.8
131.04909	1.6
131.08563	4.1
132.08070	0.6
133.06555	0.6
133.10088	1.3
135.04407	1.0
135.08044	2.6
135.11684	2.1
136.05290	0.5
137.05931	1.2
141.06995	0.9
144.08151	0.9
144.09314	1.9
145.02892	0.5
145.06480	2.2
145.10117	5.0
146.06041	5.5
146.07152	0.9
147.04439	1.1
147.05620	0.6
147.08075	1.6
147.11526	0.7
149.02330	40.3
149.05939	1.7
149.09616	0.9
149.13242	1.5
159.02997	1.6
159.04398	1.0
159.08029	2.3
159.11681	7.4
161.09627	1.2
162.03136	0.6
162.10364	0.7
163.03966	0.7
163.07500	1.1
163.11147	3.1
167.03352	1.0
169.10010	0.6
172.08827	1.4
173.02263	0.5
176.04726	0.7
177.05467	2.6
177.09065	1.2
177.12714	4.3
178.04965	0.8
181.97920	0.8
187.03876	0.7
187.07571	1.6
187.11229	2.8
187.14868	0.6
188.07022	3.1
189.09183	0.7
205.03304	6.1
205.05267	3.1
205.08574	3.5
205.10686	0.8
205.12271	16.9
205.14151	2.4
205.15909	2.5
206.08192	2.0
215.63753	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	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
53.03933	0.3
55.01860	0.3
55.05488	0.5
56.05015	0.6
56.96553	0.4
57.03408	0.2
57.07074	1.7
59.06120	0.2
60.04525	1.8
61.02909	0.3
61.04848	0.3
65.03939	1.2
67.05478	0.3
68.05008	0.6
69.03410	0.8
69.07047	0.3
70.02946	0.5
70.06599	1.0
70.86452	0.5
71.05005	0.2
72.08157	1.1
74.02412	0.6
74.06049	0.3
77.03951	0.2
77.61166	0.2
79.05497	1.0
81.03414	1.1
81.07040	0.4
83.04954	0.3
84.04505	0.5
84.08138	3.1
85.01102	0.2
85.02907	1.2
85.04813	0.5
86.09682	0.4
88.03983	2.0
91.05489	2.9
93.03371	0.3
93.07025	0.9
95.04974	0.5
95.08598	0.4
96.04481	0.5
97.02890	2.1
97.04813	0.4
97.07674	0.2
98.03172	0.4
98.97582	0.3
99.04463	0.7
102.05556	0.2
103.05484	1.0
105.03364	0.2
105.07030	3.9
107.04980	0.5
107.08576	0.8
109.02895	1.2
109.06499	0.2
109.10153	0.2
110.07153	0.7
111.06341	0.2
114.05503	0.4
115.05443	8.1
117.03712	0.7
117.05770	4.2
117.06983	1.0
118.06544	2.3
119.04939	0.8
119.07323	15.9
119.08648	0.6
119.97868	0.2
120.08116	2.7
121.02879	2.3
121.03820	0.4
121.06471	1.0
121.10151	0.8
127.03896	0.4
127.05857	0.6
129.10225	0.5
130.06526	1.0
130.08640	0.6
131.04903	0.6
131.07417	0.3
131.08578	0.6
132.08090	30.7
133.06502	0.5
133.08386	0.5
133.10132	0.2
134.06047	0.3
135.11658	0.6
136.07541	0.8
136.08530	0.3
137.05930	0.5
138.06418	0.3
139.05901	0.3
142.06522	8.8
143.07246	0.2
144.08054	0.2
145.02806	0.3
145.06491	0.6
145.10085	0.7
146.06013	1.4
147.07997	0.3
147.11316	0.3
149.02336	13.0
149.06013	0.5
149.13206	0.4
150.02657	0.4
150.05513	0.4
159.09175	100.0
160.07645	1.7
160.09540	1.7
161.05997	0.4
162.05482	0.3
162.09148	0.5
162.10420	0.2
163.03905	0.3
163.07590	0.3
163.11183	0.6
164.07072	1.2
165.07851	4.6
165.09137	0.4
167.03403	0.3
170.06029	0.5
175.11975	0.2
177.05429	1.9
177.07860	0.5
177.12781	0.8
177.95500	0.2
178.04996	11.8
178.08600	0.6
181.97893	0.2
187.11157	0.4
188.07094	0.8
188.09111	0.2
205.04927	1.8
205.06612	0.3
205.09761	8.9
205.12227	1.1
205.14122	0.4
205.15906	1.1
205.19579	0.2
206.04494	5.3
206.08130	0.8
206.11838	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	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
69.59988	0.3
70.85901	1.2
74.02433	1.0
75.79063	0.3
79.35796	0.3
91.05479	0.7
98.25064	0.3
100.87032	0.3
101.16066	0.3
101.19456	0.3
115.05451	1.4
117.05769	0.4
117.07005	1.5
118.06535	22.7
126.83035	0.4
129.97972	0.3
130.06500	1.7
132.08095	7.1
142.06499	2.4
143.07292	3.1
144.04436	0.5
144.08083	15.5
146.06003	72.0
147.06290	0.9
149.02367	0.5
159.09175	7.2
160.07576	1.2
170.06013	4.8
172.12584	0.3
188.07057	100.0
189.07387	2.8
205.09651	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	205.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70409	1.1
74.02443	1.7
91.05478	2.2
101.49255	0.4
103.11537	0.5
115.05438	3.6
115.06158	0.6
117.05766	1.7
117.07008	3.2
118.06535	53.4
130.06517	3.6
132.08080	11.7
132.09030	0.8
142.06508	5.3
143.07300	8.7
144.04453	0.8
144.08078	22.7
145.06482	1.1
146.06001	100.0
147.06342	1.4
149.02321	1.1
159.09175	10.1
160.07524	1.8
170.06013	7.9
175.16187	0.6
188.07060	67.3
189.07417	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	204.0867
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
51.63680	0.9
53.03939	2.1
55.01677	0.7
55.01873	7.9
55.05499	2.6
56.05036	7.3
56.96534	1.0
57.03437	6.1
57.07061	1.7
57.54742	0.9
58.06585	1.3
58.99856	2.7
60.04525	56.3
60.08168	10.6
61.01136	1.0
61.02919	5.9
65.03926	1.9
67.01829	1.2
67.05502	6.3
68.05023	17.1
68.99792	16.6
69.03427	10.5
69.07049	1.2
70.06582	9.1
71.01343	1.6
71.04990	13.8
71.06111	7.4
72.04505	4.5
72.08152	15.8
73.02897	1.4
74.02412	1.3
74.06089	2.2
75.01917	1.5
77.00895	2.3
77.55322	1.3
79.05502	5.1
80.05010	3.3
81.03442	5.3
81.07037	2.6
82.06580	8.8
83.01323	1.6
83.04967	6.0
84.03988	1.2
84.04501	31.1
84.08139	37.6
85.02903	100.0
85.06522	1.5
86.06049	2.8
86.09676	1.3
87.00814	1.0
87.04433	0.9
88.08746	2.4
90.02409	1.0
91.05492	4.5
93.03408	1.8
93.07026	3.9
94.00835	5.8
94.06552	3.9
94.50912	1.4
95.04964	11.3
95.08602	1.7
96.04485	30.3
96.08119	2.0
97.02887	28.0
97.06512	1.8
98.06039	8.5
99.04461	5.7
100.03929	1.4
100.07603	1.2
101.02378	1.2
102.05533	1.4
103.01379	15.3
103.02434	1.1
103.03922	1.3
103.51498	1.2
105.07017	3.3
107.04932	2.9
108.04459	3.9
109.02855	3.2
109.06517	3.8
110.06041	11.1
110.06744	1.1
110.07151	2.1
111.00788	2.4
111.04453	6.9
112.01887	7.8
112.07577	3.0
112.51945	1.0
113.02377	2.6
113.06015	2.0
114.05524	24.7
114.09148	2.9
114.52145	1.2
115.03889	1.8
116.07078	2.9
117.01073	4.9
117.02964	1.1
117.03974	5.8
117.05399	1.1
117.07440	1.7
118.01929	0.9
118.08625	6.2
119.01917	4.0
119.04929	1.0
119.08514	1.0
120.08067	2.4
121.01389	1.0
121.02811	1.8
121.06494	4.5
122.06008	7.3
122.09630	1.4
123.04420	9.6
123.08049	2.1
124.03944	2.1
124.05175	1.0
124.07576	2.6
125.05927	1.4
126.01597	6.1
126.05514	32.0
126.51711	1.8
127.03931	3.4
128.00273	1.3
128.07094	1.6
129.10228	7.4
130.01912	2.2
130.08662	6.0
130.51915	1.0
131.01886	1.8
133.03520	1.5
133.06459	1.6
134.08183	1.9
135.02141	2.7
135.05052	8.2
136.01810	2.3
136.07559	1.6
137.00786	3.3
137.02924	1.4
137.05943	3.6
137.34502	1.0
138.05498	17.5
139.03903	8.0
139.07523	1.6
139.15865	0.8
140.00262	4.3
140.07054	9.4
140.10687	0.9
141.05498	6.8
141.10199	4.7
142.08603	1.0
143.01959	1.2
144.06554	7.3
144.10190	2.4
145.03468	3.7
145.04938	8.8
146.01271	1.4
147.01271	1.2
147.11287	2.7
148.07596	0.9
149.00824	14.9
149.02309	8.1
149.50945	2.1
150.05496	4.5
150.09148	2.3
151.00571	2.8
151.03896	2.5
151.06334	1.6
151.07506	3.6
152.07056	1.3
153.02167	2.0
153.05423	1.1
156.02704	1.0
156.06554	4.1
157.04962	3.6
158.01350	6.6
158.08076	4.5
158.11629	1.5
158.12880	16.7
158.96222	0.9
159.11252	5.5
160.01091	3.2
160.51497	2.7
161.02966	4.6
162.05492	1.0
163.00623	2.7
163.04504	2.8
168.06552	19.4
168.10165	4.4
169.04901	6.7
172.01076	6.4
172.51166	1.3
177.05414	1.7
181.01622	2.5
181.51857	1.1
185.02855	1.1
186.05774	1.5
186.07611	13.3
186.11203	7.2
187.00891	4.8
187.10730	2.0
189.00894	1.0
189.02414	5.0
194.28487	1.0
204.03218	1.3
204.06610	3.5
204.08653	35.9
204.12158	13.8
204.13527	18.9
205.01881	3.2
207.03500	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.36071	0.8
52.38206	1.1
53.03931	1.5
55.01867	1.6
55.05499	12.0
57.07072	3.7
58.81555	1.0
60.04522	11.1
63.04118	1.0
65.03945	1.4
67.05502	32.2
68.05027	3.8
69.03426	1.7
69.07072	17.6
70.06596	1.7
72.08170	1.1
77.03905	1.0
79.05489	11.1
80.38544	0.9
80.75445	0.8
81.07053	51.2
83.08167	1.2
83.08601	5.9
84.04506	6.8
84.08135	2.5
85.02886	1.8
86.09705	2.0
91.05480	20.1
93.06484	1.6
93.07043	24.6
95.04949	2.9
95.08606	76.5
96.04503	5.3
97.02889	6.7
97.10184	1.5
98.06055	2.0
98.20802	2.2
103.05432	1.7
105.07028	60.8
107.08591	36.9
109.06534	1.7
109.10152	61.6
110.06023	2.1
114.05573	5.2
115.05453	2.7
117.07009	4.1
119.08577	53.0
120.96523	2.4
121.06483	1.6
121.10137	22.9
123.11702	7.6
126.05516	9.5
129.06979	2.9
131.04913	1.3
131.08577	5.8
133.06490	3.1
133.10124	45.0
134.06882	0.9
134.96228	2.7
135.11668	6.6
135.12572	1.4
137.05968	1.5
138.05518	2.4
142.07762	1.3
143.08554	3.0
145.10129	7.5
147.08052	1.9
147.11681	75.5
148.12155	1.2
156.06580	1.1
157.06480	1.1
157.10104	3.1
158.02800	1.3
159.11667	4.9
160.05165	2.3
160.12442	2.8
161.09648	2.3
161.13246	22.4
168.06485	1.3
175.07503	5.1
175.11137	1.5
175.14819	8.0
185.13272	2.3
186.05585	1.1
188.04623	1.9
188.08247	1.5
188.10741	2.0
189.11467	1.3
191.10809	1.1
203.03322	1.7
203.05331	1.2
203.07050	3.7
203.10683	6.0
203.14410	10.6
203.17957	100.0
204.06561	3.1
204.08664	4.8
204.13817	8.6
204.18211	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	204.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44134	0.2
53.03942	0.2
55.01852	0.3
55.05511	0.5
56.05035	0.6
57.03436	0.3
57.07065	0.2
60.04524	15.4
61.02924	1.0
65.03955	0.3
68.05029	3.7
69.03426	0.5
70.06586	0.5
70.88726	0.7
71.04993	0.3
72.04507	0.5
72.08160	1.4
74.02436	1.7
79.05496	0.6
80.05025	0.3
81.03409	0.7
82.06551	0.2
83.05002	0.2
84.04499	4.3
84.08152	1.1
85.02898	1.8
86.09714	0.9
87.10044	0.8
89.03938	0.3
89.94408	0.2
91.05470	3.4
92.05010	0.3
93.07024	0.6
95.06157	0.3
96.03907	0.4
96.04488	5.7
97.02888	6.8
98.06039	1.1
99.04457	0.7
103.05457	1.2
104.97598	0.2
105.07026	1.2
106.06562	2.2
107.04961	1.0
109.02853	0.5
110.06062	1.6
110.07172	0.3
114.05529	5.3
115.05449	6.1
116.04963	0.3
117.05774	2.8
117.07005	2.8
118.06536	43.3
119.08569	0.8
120.08096	0.8
120.08865	0.2
121.02882	0.3
121.06490	0.5
122.06001	0.2
126.05505	4.8
127.03919	0.4
128.04913	0.3
128.06166	0.3
130.06519	9.4
130.08624	0.3
131.04945	2.1
131.06908	1.6
132.04457	0.5
132.08087	12.7
133.05186	0.7
133.06456	0.7
134.06010	21.0
135.06337	0.3
137.05981	1.5
138.05495	1.4
140.07039	1.0
142.06517	5.0
143.03241	0.2
143.07285	6.2
143.08414	0.3
144.04561	1.0
144.05655	0.5
144.08080	21.9
145.04980	0.8
145.06464	0.5
146.06001	100.0
147.06819	0.8
148.03926	0.3
148.06503	0.2
148.07504	1.3
148.11212	0.5
149.02348	1.3
150.05478	0.3
155.05994	0.3
156.06564	0.9
157.07654	0.4
158.06015	6.5
158.07996	5.4
159.06859	4.1
159.09166	11.3
160.03957	0.3
160.07565	9.2
161.08127	0.2
162.05496	30.1
163.05864	0.4
168.06548	1.8
168.10149	0.2
170.06010	7.1
175.06297	0.8
176.07060	1.8
176.10690	4.0
177.11351	0.3
186.05511	5.3
186.07544	0.9
188.07057	87.8
189.07870	0.5
189.11359	0.5
204.06554	11.0
204.08582	6.5
204.10251	4.0
204.12233	0.4
204.13861	3.4
205.04947	0.3
205.06792	0.2
205.09749	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	203.139
Annotation	Ile Ala
Peak:m/z	Relative Intensity
60.04523	0.5
62.48926	0.3
64.08626	0.3
65.44219	0.3
69.00459	0.3
69.07059	1.0
71.01392	0.7
72.08140	0.7
74.06057	0.3
76.84783	0.3
84.04504	0.7
84.08141	1.3
86.09705	100.0
87.09443	0.3
87.10030	1.1
90.05538	0.4
96.04499	0.3
97.02889	0.5
114.05534	0.6
117.21011	0.3
130.06520	0.4
130.08687	0.3
157.07648	0.7
203.05356	0.4
203.08188	1.0
203.13844	1.8
204.08688	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	203.1392
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.01857	0.6
55.05502	0.8
56.05030	1.3
60.04525	5.9
61.01149	1.4
61.02901	0.9
65.97050	0.5
66.71352	0.6
67.05505	1.0
68.05022	1.6
69.03423	0.9
69.07069	1.5
69.56152	0.5
70.06586	2.9
70.63909	1.8
71.04997	0.6
72.08155	3.2
74.06075	0.6
79.05492	1.0
81.07055	2.5
83.19561	0.6
84.04515	3.3
84.08149	4.9
85.02893	0.8
86.09702	100.0
91.05470	2.0
93.07042	1.6
94.14571	0.6
95.04870	0.6
95.08612	3.4
96.04478	4.1
97.02893	3.4
99.04433	0.7
99.89899	0.5
102.05582	0.7
105.07048	2.8
107.08609	1.8
109.10165	1.7
110.06036	1.5
110.09683	0.7
114.05542	3.1
116.07100	0.8
117.06979	0.7
119.08582	3.4
120.08088	1.4
121.10091	1.1
126.05515	2.9
129.07011	1.0
129.10233	1.1
130.06511	1.2
132.10196	67.4
133.10143	2.7
138.05511	1.2
140.00917	0.5
147.04427	0.9
147.11613	4.3
149.97093	0.8
157.07797	1.2
157.10132	0.7
157.13342	8.2
161.13283	1.2
168.06523	1.0
175.06148	0.6
175.07559	0.9
175.14626	0.6
203.03503	0.8
203.05275	1.5
203.06886	1.0
203.08388	1.8
203.10750	1.9
203.13959	4.7
203.17955	4.5
204.06854	1.1
204.08687	3.3
204.10309	1.0
204.13902	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	202.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.7
55.05513	6.8
56.01383	3.1
56.05022	3.4
56.96553	2.3
57.03419	2.9
57.07073	18.7
59.05009	1.9
59.06116	1.6
60.04512	5.7
60.05637	3.2
67.05505	18.4
68.05013	2.6
69.07066	20.5
70.02592	2.1
70.02952	26.4
70.06599	14.5
70.46138	3.0
70.46542	1.7
71.04997	1.9
71.06923	1.8
72.04517	26.6
72.08151	31.3
72.93777	2.7
73.02918	25.6
74.02423	5.1
74.06052	1.7
79.05491	2.6
80.25242	1.2
81.07035	2.6
82.06560	1.7
83.04971	3.8
84.04497	11.3
84.08141	25.8
85.02872	2.0
85.06544	17.0
85.08460	2.1
86.06061	3.1
86.09704	29.0
87.04443	1.5
87.08086	3.8
87.10030	4.8
88.03982	3.3
90.05548	7.5
91.05461	4.5
94.04195	1.3
95.04967	25.9
96.04504	2.0
96.08117	8.9
97.02879	1.8
98.02412	51.4
98.06044	4.2
99.08086	2.0
100.03971	20.2
103.07578	5.3
104.07086	2.1
107.04903	1.3
107.08579	1.4
110.02341	1.5
110.06025	1.8
110.07050	1.8
110.09665	1.7
111.04460	2.7
112.07623	3.6
112.08723	1.8
112.11240	1.6
113.06006	14.0
114.05527	2.4
114.09150	2.6
116.03451	46.8
116.07101	1.8
119.04944	1.4
119.08564	1.7
120.05641	1.5
120.08152	1.6
124.07587	53.1
127.08656	1.5
127.96832	1.3
128.06248	1.3
128.07115	1.5
129.10214	5.1
130.06511	2.8
130.08641	4.8
131.07018	4.7
132.04453	1.4
132.10167	3.1
132.96710	2.0
137.05975	1.8
138.09106	2.2
142.05014	2.3
142.08630	45.4
144.10207	3.1
146.10400	1.5
147.04385	3.1
148.09644	2.7
156.04362	1.8
156.10208	6.8
157.06322	1.3
157.10596	1.3
158.11787	2.8
159.37901	1.4
160.09692	12.2
161.12991	2.1
166.08623	4.6
174.05504	5.8
174.09044	1.7
174.11284	4.9
175.03964	1.7
175.07501	2.6
175.09769	1.5
175.11923	3.5
184.06036	1.5
184.09680	38.6
202.05005	4.7
202.08748	5.6
202.10735	100.0
203.05334	1.6
203.06946	2.8
203.10951	2.2
203.17986	1.4
217.26064	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	203.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41568	2.8
51.13737	2.7
56.19093	3.2
60.04510	11.8
70.06213	5.2
70.06590	85.1
70.10593	6.3
70.11012	8.6
71.05000	2.9
71.06109	21.9
72.08144	8.3
84.04494	4.1
84.08141	9.2
86.06028	3.0
86.09698	19.3
88.08748	25.7
94.93010	64.7
97.02887	3.3
109.91673	6.9
112.11246	5.4
114.05515	2.6
116.07091	38.1
120.21959	2.5
129.13834	3.9
133.09766	3.7
140.07008	3.3
153.87213	2.7
158.12906	15.7
172.10776	4.0
202.89085	28.3
203.05261	100.0
203.15080	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	202.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75488	8.2
56.05027	11.7
63.44309	8.1
64.20958	8.1
69.67076	60.3
70.06596	23.6
72.08153	10.7
84.04476	15.6
84.08131	25.9
86.09692	28.6
94.93018	56.0
102.03098	9.0
138.05562	11.1
145.69402	8.1
147.35049	8.9
161.11008	8.2
164.77512	8.7
176.65062	9.4
185.92059	9.5
202.02660	100.0
202.10713	14.4
202.89159	27.2
203.05321	23.7
219.49913	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	202.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95665	0.6
53.03947	1.7
55.01854	0.8
55.05512	8.8
56.05035	19.1
56.96564	0.8
58.99586	29.3
67.04249	0.6
67.05490	0.7
68.05014	1.2
69.07061	2.7
70.06589	2.3
70.69889	1.0
70.70270	1.4
72.08161	0.9
73.01157	1.0
73.02926	1.0
74.00660	1.8
76.02222	6.6
79.05490	31.0
80.05000	1.6
81.07056	19.6
82.06582	8.1
82.07388	0.6
84.08144	2.3
85.01126	100.0
85.58008	0.6
86.00647	13.8
86.01468	1.3
86.09703	2.4
86.99046	17.4
87.02654	0.9
87.10043	1.3
88.02204	2.7
88.03982	2.4
91.05467	0.8
94.06586	0.8
95.04959	2.0
95.08592	0.9
96.08149	2.2
97.01116	1.0
97.06559	0.8
97.08911	7.3
98.09693	28.1
98.97601	0.9
99.02696	0.6
100.02199	1.1
103.05504	0.9
105.00088	8.4
105.04559	0.8
105.07029	1.1
110.09721	1.0
111.02695	0.6
113.04227	42.8
114.04556	0.9
116.98615	0.8
120.01177	2.6
122.09665	2.2
131.01640	1.9
132.01141	13.4
132.10294	0.9
139.05789	0.9
142.42857	0.7
146.14059	0.6
147.11667	0.6
155.12761	0.6
156.08415	6.7
159.04778	1.4
160.07564	3.5
173.11105	0.6
175.07536	1.0
185.06302	4.7
186.99287	0.8
202.05409	0.7
202.08926	12.2
202.10866	1.0
203.07149	2.0
203.10788	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	199.1328
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.28474	1.1
55.05513	22.5
57.07075	10.9
57.93564	1.9
67.05488	4.0
69.03397	2.5
69.07067	6.2
69.83958	8.0
72.04498	1.4
74.09719	9.1
79.05476	4.5
81.07057	5.6
83.04992	9.0
83.08598	2.2
85.06528	4.8
85.77576	1.4
91.05482	3.6
93.07048	8.8
94.28025	1.2
95.04961	3.4
95.08591	10.4
97.06528	4.9
98.21547	2.0
100.07610	2.4
105.07035	4.1
107.08584	16.9
109.06505	3.6
109.10180	1.9
111.04440	100.0
111.08054	2.7
113.06004	4.3
116.97217	19.3
116.98607	2.5
117.07038	2.0
119.08572	1.6
121.06478	2.2
121.10125	2.3
123.08020	1.5
123.39404	1.4
125.05999	24.7
127.07564	2.0
130.07791	1.5
131.99535	3.9
135.08032	14.6
135.11697	16.2
137.13257	2.2
139.07521	4.1
139.98782	1.5
140.04727	1.4
142.07790	2.0
143.08504	2.5
145.10115	12.1
152.96915	5.5
153.12746	4.7
157.10133	2.2
163.11183	19.3
175.98512	11.4
181.05045	2.0
181.12236	21.5
199.14876	3.1
199.18884	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	200.0916
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03956	3.1
53.76494	2.8
55.01857	5.4
56.05016	5.1
58.06583	10.0
58.99467	2.9
61.21004	3.0
62.85975	3.2
67.05493	10.3
69.03443	3.6
69.07087	3.8
70.06567	6.2
71.03013	7.9
71.03360	3.9
72.08160	5.7
73.90807	3.4
79.05487	6.3
81.03407	3.2
81.07047	5.0
82.06567	8.3
84.04485	14.6
84.08111	8.7
86.09704	5.6
91.05454	5.6
94.06543	5.3
95.04978	24.8
96.08118	5.5
107.04922	15.2
108.04475	4.2
108.08146	5.1
109.06489	4.1
109.43021	3.1
110.06035	8.0
110.16674	3.9
111.04441	3.9
112.07583	6.9
119.01932	4.0
119.04978	3.8
120.58675	3.0
122.05991	4.7
123.04434	32.2
125.05985	4.6
126.05497	4.4
129.10208	3.8
133.02824	12.9
135.04395	14.9
136.07558	22.0
137.05957	13.5
138.09132	6.6
139.03891	13.5
140.07045	13.3
141.05450	13.1
147.04430	5.2
151.03905	18.4
152.07031	4.2
153.05466	44.1
154.08664	21.2
164.07057	20.0
165.05437	16.2
165.07710	4.7
168.10251	4.2
169.04955	100.0
182.04559	6.5
182.08125	44.2
183.06558	8.2
193.69539	3.0
200.05559	5.5
200.09157	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	202.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.9
55.01868	18.9
55.05495	14.2
58.06603	7.2
58.62371	8.6
60.04513	10.8
60.05640	12.2
65.03919	9.4
66.04715	15.2
67.05484	25.1
68.05023	12.2
69.03432	10.0
69.07042	16.3
70.06586	40.2
72.08180	38.4
72.93808	10.0
79.05489	38.6
80.05029	10.3
80.76628	7.4
81.03379	12.0
81.07046	24.1
82.06558	26.6
83.04964	37.2
83.07341	8.4
84.04491	30.8
84.08141	100.0
86.09707	77.5
88.03976	15.9
93.03423	8.2
94.06573	15.5
95.04964	28.6
95.07346	8.0
96.04472	26.3
97.02879	12.7
97.06531	10.8
98.06034	17.8
99.04478	10.7
104.18513	7.5
107.04954	34.6
110.03680	11.1
110.06030	25.8
110.09654	8.0
111.04438	40.2
112.05222	15.3
119.01861	8.8
120.02024	28.1
120.04478	7.8
120.08049	11.6
121.02869	19.7
122.03637	13.5
123.06812	21.8
124.07557	9.0
125.06000	18.3
127.03893	22.9
129.10233	22.4
130.08618	10.8
132.02097	8.8
135.04410	34.3
137.05997	30.8
138.03127	12.1
138.05470	37.8
138.09128	31.9
139.03896	37.1
139.06328	8.2
140.04616	40.2
141.06416	21.3
148.03935	9.9
148.07588	16.2
151.06284	37.2
152.04655	12.4
153.05449	32.9
155.03355	17.5
156.06566	22.2
166.05003	9.6
166.08646	36.9
167.03250	9.5
175.11906	14.3
184.06081	28.4
184.09726	30.4
185.04524	10.1
198.43491	7.9
199.86688	8.3
202.02615	83.5
202.06972	44.4
202.10735	71.6
220.03661	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	199.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.5
56.05029	15.1
56.05838	1.6
57.04548	3.8
57.07085	1.2
57.09261	1.5
57.93565	6.8
58.99840	1.4
59.06107	2.1
66.64846	1.5
67.05473	1.3
67.39080	1.1
69.07061	3.7
70.06585	1.2
70.43871	3.9
71.05014	1.4
72.04512	2.0
74.09708	8.5
75.94615	4.6
79.05463	1.4
81.04495	1.4
83.04996	1.6
83.08623	2.3
84.08145	2.8
93.07038	2.2
93.95621	2.5
95.04958	1.7
95.08600	1.4
97.06506	1.3
98.21470	1.6
98.97564	2.0
99.04452	2.1
99.05566	7.2
100.02454	5.8
100.07616	4.3
100.64156	1.1
101.00883	4.0
105.07056	1.5
111.04442	5.7
116.01934	14.2
116.97214	48.5
116.98595	3.5
118.03510	25.4
119.01915	39.5
121.01655	4.3
130.03502	4.4
130.83594	1.1
131.99545	13.4
132.05077	3.6
133.03468	1.5
133.04521	1.6
134.02986	100.0
134.04692	3.0
134.95792	3.1
134.99686	2.3
135.03125	2.3
136.04546	31.0
137.01909	0.8
137.02953	23.1
137.04645	1.9
139.02669	2.9
139.03679	3.3
139.98798	1.4
140.04715	2.9
140.08336	1.2
142.03490	7.0
143.08650	1.3
147.05069	1.2
148.04527	1.5
148.96190	4.7
150.06110	3.1
152.04034	25.3
152.05865	2.4
152.96916	12.8
153.04185	1.8
155.06894	1.5
156.97502	3.7
157.03387	3.0
157.04582	28.7
158.03004	9.1
158.04776	1.8
159.06158	3.2
160.04553	8.1
161.02942	2.0
170.97971	2.9
172.04584	4.1
173.07770	3.4
174.06076	3.2
174.98537	4.6
175.04303	2.1
175.05656	33.6
175.98526	35.0
176.02478	2.4
176.04054	37.8
176.05820	7.6
177.00961	4.3
178.05602	3.2
181.04701	3.6
190.05609	3.3
191.08818	2.7
193.06715	13.5
194.05110	16.5
194.06845	4.4
198.07251	1.4
199.00171	2.8
199.04016	2.2
199.05711	17.4
199.12012	1.9
199.18877	47.1
200.04021	3.0
216.99709	1.6
217.05063	1.5
217.06761	16.8
217.09021	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	198.1124
Annotation	L-Metanephrine
Peak:m/z	Relative Intensity
51.02372	0.6
53.03936	0.6
55.01868	2.2
55.05508	3.3
56.05018	0.7
57.03445	0.5
57.07074	1.9
58.06601	2.5
60.04522	0.8
61.02922	1.1
62.06085	4.0
63.45512	0.3
65.03933	3.6
65.48389	0.4
67.04237	0.4
67.05497	2.3
68.05038	2.1
68.41434	0.4
68.74400	0.4
68.99787	0.8
69.03439	1.1
69.07063	2.3
70.06599	2.0
71.05003	0.7
71.43863	0.8
72.04529	1.0
72.08153	0.6
72.93803	0.9
73.05303	0.8
74.02457	0.8
74.06075	1.6
77.03925	0.6
79.05493	5.8
80.05013	1.5
81.03420	1.5
81.05769	0.4
81.07056	2.9
82.02959	0.6
82.06573	3.4
83.04972	1.5
83.07363	1.1
83.08609	2.2
84.04499	3.4
84.08150	1.7
85.02908	0.5
86.06036	0.5
90.94857	0.4
91.05476	28.0
92.04988	2.3
92.05807	1.5
92.06342	0.4
93.03401	3.4
93.07035	2.8
94.02927	0.5
94.06558	2.5
95.04958	3.7
95.06051	0.7
95.08604	0.6
96.04493	1.8
96.08127	3.7
97.02888	0.9
97.06537	1.3
97.10154	1.5
98.02387	0.4
98.06057	1.5
100.02483	2.7
100.07602	0.7
103.02463	1.6
103.05462	1.5
105.04517	0.4
105.07033	1.1
106.06557	3.6
107.04949	18.1
107.08617	0.5
108.04481	0.7
108.05225	0.6
108.08105	2.8
109.02911	2.5
109.06506	4.2
110.02457	0.4
110.06046	9.8
110.09689	0.9
111.04437	9.6
112.07594	2.6
114.09194	0.6
117.07024	0.9
118.03527	1.7
119.04937	18.8
120.04467	5.6
120.05286	1.0
120.08129	0.9
121.02792	1.9
121.06508	6.8
122.06032	1.3
123.04427	14.2
123.06789	1.0
124.03953	1.0
124.07585	8.9
125.05994	1.4
125.08370	0.7
126.05492	0.9
126.09122	0.7
131.01886	0.7
131.04947	0.9
132.04468	0.7
132.08089	0.4
133.02838	1.2
133.06538	0.8
134.06003	8.0
134.09627	1.2
135.04407	20.7
135.06633	0.6
136.04778	1.2
136.07571	4.2
137.05971	100.0
138.05482	9.2
138.06357	3.6
138.09064	0.6
139.03897	18.1
140.03418	0.5
140.07007	0.5
141.05414	0.6
145.06458	0.7
146.05991	0.4
147.01413	0.8
147.02534	0.6
148.03897	2.3
149.02226	2.2
149.05974	17.8
150.05467	1.2
150.09111	0.6
151.03871	3.4
151.06406	0.7
151.07549	3.3
152.07056	48.0
152.10684	1.5
153.05467	2.5
153.07437	2.4
154.04832	0.5
154.08630	1.8
156.06552	1.4
162.05493	3.0
162.09145	1.4
162.83107	0.4
163.03896	5.0
163.06053	0.4
163.07529	1.5
164.04248	2.3
164.07086	0.9
165.07843	2.0
166.04980	2.1
166.06203	0.5
166.08591	0.5
167.03400	3.4
167.07037	6.3
168.02438	0.9
168.06563	1.5
168.10210	1.1
169.03423	0.7
169.04904	4.1
170.03008	2.2
170.06758	0.5
170.08130	1.4
174.96880	1.2
180.04991	0.5
180.06584	7.2
180.08601	1.0
180.10184	17.7
181.03529	0.5
181.04948	11.7
181.06880	7.1
181.08574	3.0
181.10199	0.6
182.05353	0.7
192.97891	0.7
193.03221	1.0
198.07608	20.2
198.11232	18.5
198.18518	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	197.1536
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03936	1.4
55.01877	3.9
55.05512	28.8
56.19878	0.9
56.46761	0.8
57.03423	3.7
57.07077	4.2
59.04998	0.9
65.03944	1.7
67.05506	39.7
68.05824	0.9
69.03419	2.4
69.07069	27.1
70.95850	2.3
71.01344	3.5
71.04996	19.3
71.08615	0.8
71.09190	2.0
72.93781	1.4
79.05489	23.0
81.07055	79.2
82.07411	1.1
83.04975	6.0
83.08619	23.4
84.08116	1.1
85.06543	20.6
87.04414	1.5
91.05479	24.2
93.07038	24.5
95.04977	4.1
95.08607	100.0
96.08914	2.0
97.06528	41.0
97.10177	7.7
99.04459	1.1
99.08086	6.5
101.06019	1.7
105.03405	0.9
105.07035	24.9
107.08593	14.1
109.06522	5.3
109.10146	8.1
111.08090	8.8
111.98468	3.4
115.07553	1.6
117.06993	2.0
119.08584	34.9
120.08945	0.9
121.10147	9.4
123.08073	9.6
123.11755	0.8
125.09626	1.4
127.03899	1.0
127.07588	1.2
129.99466	2.1
132.95844	5.5
133.10126	26.6
135.11691	19.8
137.05972	1.9
137.09619	4.1
137.13252	16.4
138.83586	0.9
141.09087	1.3
141.25497	0.8
145.71558	0.8
146.94887	0.9
149.13197	1.3
150.96890	8.2
151.03889	1.8
151.07458	1.1
151.11142	1.6
154.06310	0.9
155.10612	1.5
155.97415	3.6
161.13255	55.0
167.14259	1.0
168.67468	0.8
169.10095	1.4
173.98465	6.5
179.10718	4.3
179.14314	27.6
187.42001	0.8
197.08116	1.2
197.10017	1.2
197.11703	3.3
197.13443	1.2
197.15373	14.8
197.17204	1.5
198.18532	27.2
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	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03936	1.5
55.01863	8.8
55.05510	18.3
56.05011	0.7
57.07082	0.8
65.03940	1.1
67.05497	4.6
69.03410	3.1
69.07064	1.5
70.06570	0.9
70.95865	3.9
71.01315	0.7
71.04990	1.7
72.93779	2.4
77.17300	0.7
78.95285	0.8
79.05492	6.8
81.02530	0.8
81.07051	24.4
83.04965	2.1
83.06036	0.7
83.08595	0.8
84.04473	1.4
84.08124	1.4
86.09692	0.9
91.05473	9.6
93.07039	10.7
95.01321	0.8
95.04967	3.0
95.06062	1.3
95.08594	2.4
96.05639	0.8
97.02879	0.7
97.06536	7.3
98.20778	2.4
99.04441	8.4
105.03401	2.0
105.07020	16.1
107.08585	51.1
109.06502	13.8
109.10151	8.1
111.04419	3.7
111.08092	0.9
111.98479	3.4
113.08237	5.0
113.96416	0.7
117.07021	0.7
119.04935	1.7
119.08578	5.7
120.08089	1.1
121.06472	5.0
121.10102	0.8
123.08021	1.2
123.11701	1.9
125.05983	66.4
127.03908	22.3
128.06207	2.3
129.99498	2.6
130.02109	0.8
131.08585	1.4
132.95845	4.2
133.06424	1.2
133.10121	36.0
135.07990	0.7
135.11684	12.0
137.05968	100.0
137.09589	11.9
138.06433	1.4
143.08553	5.2
145.02760	0.7
145.04939	0.8
146.07251	0.9
147.03384	1.1
150.96883	10.5
151.03862	3.4
151.07567	1.4
151.11139	4.4
155.07048	0.9
155.09242	1.9
155.97389	3.5
161.09622	20.2
162.09943	0.7
173.98468	7.3
179.05901	1.2
179.09129	1.6
179.10652	27.2
183.02884	0.7
197.00061	1.0
197.08134	1.1
197.10204	1.4
197.11726	27.9
198.11966	0.8
198.18542	9.8
199.54893	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03946	1.4
55.01872	1.2
55.05518	4.3
57.07067	1.5
59.04998	2.4
61.83597	0.6
64.46153	0.6
65.03944	1.2
67.05502	7.4
69.03429	1.6
69.07063	2.4
70.95856	3.2
71.01318	1.9
71.04990	1.1
72.93789	2.0
73.02946	1.0
77.03901	0.8
79.05490	6.5
81.07053	8.5
83.04983	2.1
84.08105	0.8
85.06551	1.1
85.64912	0.7
88.96889	1.3
90.94844	0.6
91.05480	20.8
93.07046	24.1
95.04967	9.9
95.08591	5.1
97.06527	1.8
99.04474	1.0
103.05526	0.8
105.03396	0.9
105.07030	31.4
107.04950	1.3
107.08595	69.0
109.05801	0.9
109.06515	7.2
109.10166	7.0
111.08070	1.0
111.98487	4.2
113.08235	2.2
115.05469	1.0
117.06979	1.6
118.07864	0.6
119.04950	2.2
119.06083	1.3
119.08589	10.5
121.06496	6.1
121.10133	1.4
123.04412	3.8
123.08042	1.9
123.11720	3.6
125.05978	0.9
127.03854	0.8
128.06252	0.9
129.99506	2.3
131.08586	2.3
132.95862	4.8
133.02875	1.7
133.10127	70.1
134.10487	1.3
135.08047	1.0
135.11691	54.0
135.34683	0.7
136.12053	1.0
137.06038	5.0
137.09608	5.7
138.06572	1.1
138.86801	0.6
141.06989	1.2
143.08583	1.1
146.07231	1.7
150.96892	11.0
151.03963	3.4
151.07549	1.0
151.11172	6.8
155.09315	1.2
155.97411	3.0
161.09615	34.4
162.09998	0.7
169.10062	0.8
173.98509	8.0
179.10669	100.0
180.11066	1.3
182.07256	1.1
197.11728	69.8
197.23454	0.7
198.12010	0.8
198.18494	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	197.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
50.07394	0.2
51.02372	0.6
53.03946	4.4
55.01868	1.2
55.05512	1.3
56.05017	0.3
57.03440	2.0
57.07060	0.9
59.04995	0.8
63.25475	0.3
65.03940	0.7
66.68404	0.3
67.05502	1.9
69.03440	0.3
69.07050	1.1
70.06582	0.5
70.95867	2.6
71.04988	2.5
71.06104	0.3
71.40699	0.4
71.41023	0.3
72.08166	0.6
72.93768	1.1
73.02897	0.4
77.03929	0.9
79.05488	5.5
81.03409	1.4
81.07050	2.6
82.92072	0.3
83.04974	0.7
83.08602	0.5
84.04494	1.3
84.08133	1.1
85.02901	0.4
86.09701	0.5
87.04448	0.3
88.96883	0.6
91.05474	5.0
93.07047	5.9
95.04964	10.3
95.08591	1.3
96.04493	0.3
96.05602	0.4
97.02894	0.5
97.06492	0.6
99.04448	6.6
103.05424	0.3
105.03387	100.0
105.04524	2.8
105.07019	6.6
106.03722	1.1
107.08586	15.9
109.02841	0.4
109.06525	2.1
109.10162	2.0
111.04444	0.4
111.08089	0.5
111.98470	2.2
113.08246	1.9
113.96404	0.5
117.07021	0.3
119.04942	0.9
119.05957	0.2
119.08559	2.3
120.08105	0.7
121.06542	1.4
121.10152	0.9
123.04431	4.5
123.08086	0.6
123.11677	0.5
127.03940	0.7
129.99490	1.6
131.08565	0.8
132.95819	3.1
133.06461	0.4
133.10124	17.5
135.08061	0.8
135.11685	12.9
137.05960	1.8
137.08185	0.7
137.09596	2.0
138.06578	0.7
141.05453	0.6
141.09108	0.4
143.08551	0.5
146.07199	0.4
150.96878	7.1
151.03908	1.6
151.07527	0.8
151.11163	1.2
155.09254	1.2
155.10452	0.3
155.97455	2.0
160.69331	0.3
161.09618	7.8
168.97995	0.4
169.06400	0.3
173.98485	5.6
177.37500	0.3
179.07124	3.4
179.10657	22.0
180.06444	0.3
196.34839	0.3
197.00090	0.4
197.04416	0.5
197.06001	0.7
197.07965	0.7
197.10144	0.7
197.11731	13.9
197.60448	0.3
198.18541	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02353	1.2
53.03943	4.8
55.01867	4.9
55.05514	22.6
56.96570	10.0
57.03431	5.1
57.07072	4.5
65.03934	2.7
67.05504	62.7
69.03423	1.8
69.07069	20.3
70.25730	4.8
71.01361	3.4
71.04995	6.3
71.79121	1.1
79.05023	1.7
79.05491	47.6
81.03418	13.6
81.07053	100.0
82.07371	1.7
83.04976	13.2
83.08607	10.9
84.08150	1.4
85.06544	4.0
87.04449	1.4
88.09679	1.0
89.03934	2.7
89.06018	1.6
91.04906	2.2
91.05477	42.5
92.05779	1.4
93.07040	63.1
95.04959	8.8
95.08605	40.0
97.06517	11.0
97.10146	1.6
98.20851	1.3
99.08090	2.0
103.05460	1.4
105.07025	15.1
107.04961	4.9
107.08591	27.3
109.06491	3.7
109.10156	4.7
109.62625	1.1
111.08076	5.6
117.03372	3.6
117.07001	14.5
119.08570	2.8
121.06509	6.2
121.10123	9.9
123.08039	1.7
123.11739	2.9
129.07018	1.2
131.08572	16.0
133.10124	23.2
134.03619	1.3
135.04424	3.5
135.05673	2.1
135.08066	5.4
135.11697	35.0
136.32550	1.1
139.11165	1.1
145.02824	6.6
147.97565	1.3
149.05978	3.1
149.09619	2.0
149.13261	16.1
149.66415	1.1
151.11169	3.4
159.11708	16.7
163.03871	5.5
177.05484	12.2
177.12740	10.8
178.05754	1.4
190.28072	1.1
195.02951	1.9
195.08513	1.8
195.10155	1.2
195.13797	17.3
195.15523	2.1
195.17410	1.6
203.05907	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	196.0604
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
50.67176	0.3
53.03944	0.6
55.01871	1.1
55.05500	0.5
56.05026	0.4
58.02946	0.8
60.04515	1.8
64.44730	0.3
65.47958	0.3
67.05509	1.8
68.05016	0.8
70.06581	0.6
70.95868	1.0
71.51031	0.8
79.05523	0.5
80.05019	1.0
81.03417	4.7
81.07058	1.0
82.02925	1.9
83.04985	0.6
84.08141	1.1
91.05471	0.8
93.05759	0.4
94.06564	7.9
94.07204	0.4
95.04958	1.6
95.08586	0.5
96.04504	1.1
97.05273	0.8
98.06061	0.7
104.04984	2.9
105.07021	0.6
107.08576	0.6
107.27827	0.4
108.04454	0.6
109.02875	4.5
110.06055	1.3
111.06848	2.2
111.98454	0.4
112.07585	4.9
118.03711	1.2
119.04948	0.5
121.05231	0.4
122.06019	18.1
123.04430	1.0
124.03942	1.5
125.04739	4.5
127.03894	1.2
129.99471	0.6
131.96153	0.5
132.04443	12.2
132.95865	0.6
135.04106	0.4
135.11668	0.5
136.07585	0.6
137.02312	1.3
137.05966	1.3
138.05493	2.5
139.03888	1.2
139.06287	3.0
140.07054	50.7
141.07425	0.4
146.03168	1.3
146.06003	0.4
148.06378	0.4
149.97202	0.9
150.05489	26.2
150.96889	1.6
152.03435	6.7
152.07108	0.4
153.04202	1.2
155.97394	0.5
164.04272	0.4
165.01820	0.5
167.05766	5.4
167.07057	0.7
168.06554	34.8
173.98471	1.6
178.04904	18.1
178.08525	1.0
179.05582	0.7
179.30650	0.3
196.06036	100.0
196.16948	2.4
197.06390	1.6
197.11751	0.4
204.44989	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	196.0968
Annotation	L-Tyrosine methyl ester
Peak:m/z	Relative Intensity
53.03934	2.9
54.79993	1.2
54.93827	1.6
55.01876	2.4
56.05026	5.9
56.96556	2.0
57.03428	1.1
65.03921	2.8
67.05484	3.3
68.05007	1.9
69.03424	1.3
69.07059	1.3
69.25024	1.5
69.76244	7.4
69.95875	1.1
69.96178	12.1
70.06577	5.1
70.95859	2.8
71.94091	2.8
72.08131	1.9
72.93791	1.7
74.06090	1.5
77.03935	2.0
79.05496	5.7
80.04997	3.9
81.03391	3.0
81.07034	3.8
82.06564	3.1
83.04975	1.3
83.06102	1.4
84.04495	3.2
84.08147	14.0
85.08442	2.7
86.09687	7.0
87.97195	1.3
91.05478	22.5
93.05767	4.8
93.07038	12.4
93.94552	1.1
94.04193	2.8
94.06578	5.7
95.04952	5.2
96.04480	2.4
96.08121	1.4
98.06035	1.2
103.05484	5.8
104.04961	12.8
105.03337	1.3
105.05723	1.4
105.07013	5.0
106.06550	4.0
107.04937	10.2
107.07312	4.2
107.08552	1.6
108.04494	1.6
108.05709	2.0
108.08089	5.3
109.06509	14.0
109.38464	1.0
110.06030	1.4
110.07140	2.3
110.98779	2.4
111.04432	2.1
111.98470	2.3
112.07591	2.4
115.05416	1.5
117.05763	1.2
118.03547	1.2
118.06536	3.9
119.04912	5.4
120.04463	2.8
120.08073	3.6
121.02933	1.4
121.05258	9.6
121.06496	100.0
122.06033	10.9
122.06812	2.0
123.04411	2.4
123.06787	4.2
123.08122	1.4
124.07550	3.2
125.05965	2.7
129.10202	3.5
129.99516	1.7
130.08702	1.7
131.96146	31.8
132.04451	33.9
132.05435	2.3
132.95821	3.8
133.02849	1.6
133.05202	2.4
133.06471	8.7
134.06000	3.4
135.04395	4.4
135.06770	3.4
136.05258	9.1
136.07570	69.6
137.05971	27.6
137.07925	3.4
138.05496	6.5
139.03856	1.5
139.07481	1.3
140.07086	9.0
146.05968	8.4
147.04349	1.9
147.06778	4.9
147.11212	1.3
148.04002	2.6
148.05179	8.3
148.07562	5.1
149.04683	3.5
149.05893	2.3
149.97198	77.1
150.03069	2.0
150.05457	18.0
150.09126	8.2
150.96898	7.7
151.03966	2.6
151.06279	10.3
151.07500	47.1
152.06996	6.0
153.05495	7.0
154.06201	6.7
154.97716	12.9
155.09335	1.7
155.97395	2.5
160.07516	2.4
161.05984	6.1
161.07932	1.7
163.06273	8.4
164.03404	1.9
164.04686	2.6
164.07060	18.7
165.05487	1.6
165.07855	13.6
166.04997	7.8
166.08633	7.2
167.07033	3.6
167.98277	9.9
168.06532	10.1
168.10199	1.8
169.08559	4.6
172.98793	29.8
173.98470	7.0
178.04907	10.5
178.08611	22.4
179.03523	2.5
179.05685	4.0
179.07034	22.3
179.08679	2.4
180.06569	2.2
181.07338	10.5
190.99948	1.2
196.00444	2.6
196.04428	1.5
196.06017	23.8
196.09685	93.9
196.16920	5.7
197.09970	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	5.5
55.01855	3.4
55.05511	18.8
56.96535	1.5
57.03422	4.5
57.07060	2.8
65.03927	3.4
67.05504	64.1
68.99783	2.6
69.03420	2.7
69.07072	17.6
71.01341	2.8
71.05006	6.6
71.09644	2.8
73.02908	1.6
79.05489	40.6
80.05038	1.2
80.05813	1.3
81.03423	14.2
81.07053	100.0
83.04977	14.2
83.08616	11.3
85.06531	3.1
87.04447	1.2
89.03912	2.5
89.05989	1.7
91.05480	40.4
93.07042	64.8
95.04974	9.3
95.08606	37.0
97.06518	12.6
99.08080	2.0
101.28807	1.1
102.60043	1.3
104.36956	1.2
105.07024	14.6
107.04949	5.0
107.08593	28.6
109.06487	2.4
109.10149	4.7
111.04450	1.9
111.08082	5.7
113.06004	1.7
117.03390	3.2
117.07019	14.0
119.08584	3.4
120.17088	1.4
121.06518	7.2
121.10146	10.9
123.08100	1.9
123.11674	2.6
125.09649	2.5
129.97803	1.3
131.08562	15.3
133.06493	1.4
133.10123	27.9
135.04436	1.9
135.08025	5.4
135.11684	39.8
145.02809	8.3
149.05992	4.1
149.09615	2.7
149.13269	19.4
149.97202	2.0
151.11174	4.1
153.09113	4.1
159.11688	15.5
163.03848	3.7
177.05463	9.3
177.09109	1.5
177.12711	13.4
195.02927	2.6
195.06598	1.4
195.08554	1.3
195.11942	2.3
195.13774	19.7
196.16870	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	4.2
55.01863	4.1
55.05267	1.5
55.05508	16.6
56.96559	3.1
57.03438	4.4
57.07086	1.6
59.05000	0.9
65.03932	2.6
67.05502	53.6
68.05840	1.3
68.50790	0.8
69.03430	1.9
69.07061	14.7
70.06587	2.1
71.01351	4.2
71.04972	7.7
71.21181	1.5
73.02899	0.9
79.05491	40.2
79.62165	0.9
80.05032	1.0
81.03404	8.9
81.07051	100.0
82.07377	1.3
83.04978	14.0
83.08617	10.0
84.08141	3.6
85.02883	1.4
85.06533	5.1
87.04468	2.1
89.03921	3.8
89.06039	3.6
91.05474	27.6
92.05803	0.9
93.07037	62.8
94.07373	1.7
95.04955	8.3
95.08603	45.3
97.06515	13.3
97.10181	1.9
99.04507	1.4
99.08103	2.5
101.05997	1.2
105.04519	1.0
105.07033	10.9
107.04953	7.0
107.08587	25.6
107.09320	1.9
109.02850	1.4
109.06532	4.6
109.10175	4.3
110.74015	0.9
111.04455	1.9
111.08077	6.2
113.09661	1.4
117.03371	8.2
117.07025	11.2
119.08586	3.4
121.06514	8.0
121.10132	9.5
122.06057	0.9
123.08045	1.8
123.11721	1.2
125.06015	2.3
125.09547	1.2
129.07022	1.5
130.80284	0.8
131.08556	12.8
133.10124	17.3
134.03645	1.4
135.04443	5.6
135.08067	6.6
135.11682	32.8
137.05992	2.2
137.09566	0.9
138.06664	1.2
139.07605	1.6
139.11157	1.4
141.67653	1.0
145.02847	16.1
147.11667	1.5
148.97331	2.5
149.05962	5.9
149.09645	3.8
149.13240	18.8
149.97202	4.5
150.13591	1.2
151.11191	1.2
153.09056	1.6
159.11674	19.8
163.03929	6.1
163.07570	1.3
165.07150	1.2
167.07103	1.6
167.08531	1.7
171.98941	1.2
172.98784	1.3
177.04045	1.8
177.05470	19.4
177.09190	1.3
177.12732	15.1
177.16382	1.3
179.08627	0.9
180.09360	2.3
195.02905	4.8
195.06470	2.7
195.08298	3.3
195.10165	2.1
195.11710	3.8
195.13818	18.7
195.15683	2.7
195.17436	1.4
196.09642	1.7
196.16988	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	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.00272	1.0
53.03917	1.2
55.01860	2.0
55.05491	2.9
57.07071	1.1
59.04987	4.1
64.33909	1.0
65.03934	1.5
67.05502	10.7
69.03432	7.4
69.07043	3.8
70.60311	2.7
71.05006	5.2
71.05333	1.1
79.05484	6.7
81.07059	12.5
83.04971	8.5
83.08581	1.9
84.08125	3.9
89.03914	16.3
91.05474	8.6
93.06493	1.6
93.07043	21.4
95.04966	4.9
95.08606	31.0
97.06516	3.9
99.08095	2.0
105.07024	5.7
106.04196	1.2
107.04926	3.3
107.07882	1.9
107.08590	30.6
109.06506	5.9
109.10157	13.7
111.08058	3.2
117.03373	30.3
117.06986	1.9
119.04960	1.4
119.08564	13.0
121.06492	6.8
121.10137	14.0
125.06004	1.6
125.09598	2.0
129.06979	1.9
131.08548	3.2
132.04411	1.5
133.10101	7.6
134.03627	4.1
135.04456	5.9
135.07130	1.4
135.08051	15.9
135.11682	36.8
137.09610	100.0
138.09895	2.0
139.07559	3.0
140.07050	1.3
144.09331	2.2
145.02838	54.2
146.03159	2.3
149.04219	3.1
149.05969	15.5
149.09534	1.4
149.13254	11.4
150.05484	5.6
151.11230	1.2
153.05458	1.5
153.09077	1.2
153.12683	3.0
159.11687	17.7
163.03879	7.2
167.07031	1.3
168.06465	1.4
175.94243	1.0
177.05472	61.4
177.09044	1.9
177.12733	26.5
178.05829	2.1
178.13002	1.5
186.05402	1.1
195.02873	1.4
195.04794	2.3
195.06525	2.1
195.10149	2.2
195.13809	14.5
196.05994	2.6
200.81866	1.0
206.72885	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	195.1378
Annotation	3,8-Dimethyl-4,6-decadiyne-3,8-diol
Peak:m/z	Relative Intensity
53.03935	1.7
53.30034	0.5
55.01870	30.1
55.05510	5.3
57.03421	2.1
57.07066	1.0
65.03933	0.9
67.05504	12.5
68.99776	1.5
69.03422	2.3
69.07076	4.2
70.06574	1.2
70.70052	1.2
71.04991	10.4
73.02913	0.9
78.04725	0.6
78.63634	0.5
79.05489	12.7
81.03413	3.0
81.07052	20.6
83.04971	3.3
83.08612	1.5
84.08142	2.3
85.06538	2.1
86.09663	0.9
87.04453	2.6
89.03914	4.6
89.06036	1.5
91.05479	7.6
93.07040	14.3
94.07354	0.7
95.04946	3.6
95.08603	8.0
97.02904	1.0
97.06525	100.0
97.10106	1.1
98.06859	2.4
99.08094	1.3
103.05479	1.3
105.04601	0.6
105.07027	5.0
106.04189	0.6
106.94140	0.6
107.04948	7.9
107.08588	8.6
108.04548	0.5
109.02888	1.2
109.06509	16.7
109.10143	4.1
110.07085	0.8
110.35014	0.6
111.04420	1.2
111.08059	2.5
113.06045	1.3
117.03379	7.9
117.07018	4.1
119.08555	0.9
121.06493	4.2
121.10109	4.8
121.76068	0.5
123.08045	1.1
125.05993	1.4
125.09624	1.9
131.01875	0.9
131.04895	0.7
131.08542	4.4
133.10144	3.8
134.03616	1.7
135.04402	3.8
135.08058	4.2
135.11685	5.9
137.05930	1.4
139.07590	1.1
145.02844	15.7
146.03206	1.0
148.97368	0.8
149.05972	5.3
149.09639	2.3
149.13217	2.9
149.97209	1.6
152.04654	0.6
153.05478	1.3
153.09106	3.5
159.11725	2.7
162.03186	0.7
163.03914	3.7
165.06973	0.9
167.07126	0.7
177.05455	18.6
177.09123	1.8
177.12750	4.5
177.16505	0.9
178.05833	1.0
178.13297	0.7
195.02902	2.9
195.06592	2.9
195.08321	1.4
195.10179	1.4
195.11931	1.0
195.13759	7.3
195.15483	0.9
195.17361	0.7
196.09650	1.2
196.17085	1.0
208.05702	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	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.01580	0.6
53.00296	0.4
53.03933	1.4
55.01880	2.0
55.05496	1.6
57.03442	0.7
65.03937	5.6
67.05510	2.7
68.99789	0.4
69.03432	0.9
69.07050	1.6
69.86517	2.1
70.06594	0.5
71.01335	0.7
71.04981	0.8
77.03912	0.4
78.04710	0.8
79.05492	9.5
81.03403	1.2
81.07049	5.0
83.04966	1.5
83.08618	0.8
84.08160	1.9
84.57933	0.4
85.02902	0.8
85.06548	0.6
87.51998	0.4
89.03907	4.9
89.06018	1.5
91.05472	7.8
92.06268	0.6
93.03398	6.7
93.07034	4.8
94.06583	0.4
95.04969	4.2
95.06016	0.4
95.08611	3.0
97.06519	1.0
103.05466	26.2
104.38733	0.4
105.03392	0.5
105.04478	0.5
105.07032	10.9
106.04148	0.7
107.04954	34.8
107.08579	3.1
108.05261	0.6
109.02901	1.9
109.06511	1.2
109.10148	0.7
110.03678	0.5
111.04440	7.3
111.08054	1.1
115.05445	3.4
117.03377	9.0
117.07026	2.1
119.04925	0.7
120.05737	2.6
121.02840	0.5
121.06491	2.8
121.10140	1.7
123.04411	0.5
124.05224	2.9
125.05986	2.2
131.04924	4.5
131.08539	0.9
133.06479	1.2
133.10118	1.1
134.03682	2.0
135.04419	4.9
135.08054	20.7
135.11667	3.3
136.05103	0.5
137.05908	0.9
139.03897	28.6
139.07552	0.6
145.02841	15.7
145.06526	0.7
145.07611	1.5
147.04439	0.7
148.05145	1.1
148.97391	0.4
149.05975	5.0
149.09642	1.1
149.13231	0.8
149.97169	0.4
152.07971	0.5
153.05431	1.5
153.09145	1.0
154.06241	100.0
155.06570	1.7
159.11693	1.0
163.03906	5.3
163.07539	30.0
164.07939	0.7
165.05569	0.4
165.07033	0.6
167.07048	5.0
167.08508	0.7
177.03906	0.9
177.05455	17.6
177.09044	0.8
177.12752	1.2
177.16313	0.5
178.05832	0.6
180.07823	1.7
180.09261	0.5
186.05426	0.4
192.27335	0.5
195.02859	2.5
195.06755	2.5
195.08376	1.8
195.10110	7.7
195.11766	0.7
195.13829	1.4
195.15750	1.3
196.09758	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	195.1017
Annotation	Isopygmaein
Peak:m/z	Relative Intensity
51.02380	1.3
51.69113	0.9
53.03939	4.0
55.01872	9.1
55.05508	8.5
56.05029	1.5
56.18102	0.9
56.96555	2.9
57.03436	15.6
57.07068	2.2
60.04512	1.0
60.98672	0.8
62.12549	0.9
63.02381	1.0
65.03943	5.5
65.37170	0.9
67.05502	9.4
67.15448	0.8
68.05036	1.2
68.96326	0.9
69.03432	9.2
69.07059	7.1
70.06580	2.7
70.70187	2.7
71.01321	1.0
71.04984	3.6
72.08164	1.0
77.03930	1.6
78.04720	1.2
79.05494	59.5
80.05001	1.2
80.96546	1.0
81.03438	4.9
81.07046	11.7
83.04975	7.8
83.06081	1.2
83.08630	1.5
84.04514	1.2
84.08144	8.8
85.02898	2.1
85.08489	1.3
86.09702	3.1
89.03917	23.1
89.06031	3.3
90.04227	1.0
91.05480	41.3
92.82351	0.9
93.03395	3.1
93.07041	85.8
95.04971	14.4
95.08597	3.3
97.02921	1.4
97.06527	6.0
97.07664	1.0
98.97562	1.9
99.04462	1.5
103.05478	4.6
105.04510	2.4
105.07024	17.4
106.04155	1.9
106.07365	1.1
107.04955	41.7
107.08591	71.4
108.04469	1.6
109.02886	2.9
109.06520	11.2
109.10146	2.7
109.98949	0.9
110.06033	3.4
110.07183	1.2
111.04445	10.1
111.05547	1.8
111.08085	6.0
113.06038	1.0
115.05448	3.5
116.06216	2.8
116.98612	1.6
117.02531	1.5
117.03379	36.1
117.07019	40.1
119.04942	4.1
119.08585	2.3
120.05702	2.8
121.02869	2.1
121.06506	39.1
121.10147	18.9
122.07124	1.1
123.04416	1.3
123.08093	2.1
124.08618	1.3
125.06003	16.6
125.09594	4.5
129.07089	1.9
130.08632	1.0
130.96307	1.0
131.04927	2.1
131.08568	40.9
131.96135	1.3
132.04417	1.7
133.02866	2.4
133.06534	6.8
133.10149	2.5
134.03633	6.5
135.04436	17.2
135.08052	100.0
135.11676	3.9
136.05130	1.5
136.08539	2.1
137.05984	6.2
137.09653	2.1
137.13268	1.1
138.06627	1.9
139.03903	1.9
139.07585	1.3
141.05444	2.8
145.02846	68.4
148.97356	3.0
149.02359	1.5
149.04251	1.8
149.04680	1.5
149.05988	24.1
149.09615	61.9
149.13332	1.7
149.97192	3.4
150.04279	0.9
150.05486	4.3
150.06558	1.9
150.10068	1.1
151.03915	1.2
151.07584	1.4
152.07138	1.0
153.05467	24.2
153.07375	2.0
153.09085	6.5
154.06067	1.1
159.08040	3.6
161.05972	1.9
162.03169	2.8
163.03915	14.9
163.07590	1.4
163.54602	1.0
165.05476	3.5
166.08743	1.2
167.03424	1.1
167.07054	4.0
167.10651	1.3
171.98972	1.1
177.05472	80.4
177.09073	28.7
177.12732	3.7
177.16354	1.3
178.03249	1.8
178.04753	1.4
178.06100	1.1
178.08548	1.3
180.07805	2.2
180.09363	1.1
186.05443	1.9
195.02864	7.4
195.04829	1.7
195.06750	7.1
195.08594	4.5
195.10178	71.3
195.13922	2.6
195.15913	2.3
195.17496	1.2
196.00594	3.5
209.02699	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	195.0864
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
50.84267	2.7
53.03941	10.6
55.01860	9.0
55.05498	9.3
57.03440	4.8
57.07076	5.3
59.06118	9.9
59.81116	3.9
61.02919	3.4
63.60932	3.1
65.03913	7.8
67.05503	11.6
68.99789	7.5
69.03432	22.1
69.07063	8.6
69.96182	6.1
70.06585	5.9
71.01337	3.4
71.04981	12.5
71.50865	4.9
71.94109	6.6
72.08148	3.4
79.05496	21.7
81.03417	97.0
81.07040	20.7
83.04980	7.9
83.06095	3.7
84.04515	9.8
84.08141	35.6
85.02888	18.0
85.06534	3.7
86.09711	11.2
89.03894	22.5
89.06018	10.6
91.05468	32.4
93.03394	3.7
93.07031	22.5
94.06570	3.7
95.04945	15.6
95.08599	10.4
97.02892	7.1
97.06537	3.8
100.02481	15.1
103.02453	4.0
103.05441	9.4
105.07038	16.7
106.04117	4.0
106.06555	5.0
107.04951	30.1
107.08599	14.0
109.02878	55.8
109.06496	11.7
109.10151	7.3
110.06086	3.1
111.04452	13.7
111.08055	5.5
112.01877	4.1
113.02380	7.9
115.05451	9.7
117.03377	29.7
117.07088	4.6
118.03535	12.9
119.01929	13.7
119.04951	9.1
120.08173	5.4
121.02876	9.2
121.06490	19.7
121.10164	14.1
122.09666	4.1
122.22802	3.1
123.04488	3.8
123.06809	3.6
124.07581	4.1
125.06015	6.0
125.07123	4.4
127.03883	6.0
129.10255	7.2
130.08661	4.2
131.04935	9.2
131.08519	5.9
131.96144	11.3
132.08092	9.1
133.02812	4.1
133.06499	7.3
134.03656	8.6
134.06026	7.4
135.04384	22.3
135.08046	11.1
135.11703	11.6
136.07596	8.6
137.03003	5.1
137.05962	61.8
137.13251	8.7
138.06578	4.8
139.03915	4.0
139.07584	3.2
141.05058	3.3
143.04936	3.7
145.02739	51.4
147.01402	4.4
148.07570	13.7
148.97404	5.6
149.05980	35.3
149.09621	6.8
149.13216	4.7
149.97203	35.2
150.05461	7.7
150.09123	17.4
151.06316	7.6
151.07535	8.8
152.07077	35.4
153.05464	16.0
153.09119	5.0
154.97751	6.0
159.11674	4.3
160.07576	11.0
161.05997	13.8
163.03783	23.0
163.06046	3.2
163.56357	3.1
164.04654	4.4
164.07048	11.2
165.05501	5.6
165.07838	12.2
166.08650	18.0
167.03377	5.7
167.07024	6.1
167.98279	9.3
168.06572	4.3
172.98804	14.9
176.07013	4.8
177.05472	86.3
177.07794	7.1
177.09090	12.8
177.16376	7.5
178.03206	5.6
178.08620	100.0
179.07077	6.7
184.21588	3.5
189.02469	4.6
195.02914	54.6
195.06514	19.3
195.08517	21.3
195.11403	31.0
195.13838	5.5
195.17378	6.9
196.06021	7.3
196.09700	32.5
213.06171	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	195.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03951	1.4
55.01868	3.3
55.05504	3.1
57.03434	5.0
57.07079	0.5
63.02352	0.8
65.03930	3.1
67.05508	3.2
68.05017	0.7
68.51136	0.5
68.99790	1.1
69.03426	3.5
69.07066	3.1
70.02425	0.4
70.06599	1.2
70.32022	1.5
71.04994	1.0
77.03917	0.7
78.04720	1.0
79.05492	19.7
81.03420	2.2
81.07056	4.8
83.04977	3.2
83.06069	0.5
83.08602	0.7
84.08140	4.7
85.02909	1.9
86.09703	1.6
87.80705	0.5
89.03916	25.3
89.06026	1.4
90.04250	0.7
91.05481	13.2
93.03397	2.5
93.07040	23.7
95.04967	5.2
95.08593	2.0
97.02872	0.7
97.06528	2.0
103.05466	2.4
105.03400	0.7
105.04501	0.7
105.07032	4.4
106.04187	2.2
107.04953	10.5
107.08588	19.2
109.02955	1.0
109.06508	3.0
109.10149	0.6
110.03711	0.5
111.04440	8.2
111.08064	3.1
113.06041	0.5
115.05449	0.8
115.27859	0.5
116.00082	0.5
116.06302	0.5
117.03377	47.7
117.07021	9.2
118.03725	1.5
119.04943	1.5
119.06110	0.5
119.08579	1.3
120.08849	0.4
121.02841	1.4
121.05662	1.0
121.06499	12.0
121.10134	7.1
123.04421	1.1
123.08030	0.7
124.05210	1.0
125.05995	9.5
125.09632	1.4
127.03931	0.4
129.06927	0.7
131.04903	0.7
131.08565	10.1
132.04425	0.8
133.02896	0.8
133.06529	1.1
133.10136	1.8
134.03622	7.9
135.04419	10.8
135.08052	25.1
135.11679	5.0
136.05049	1.3
137.05957	1.2
137.09619	1.3
137.13206	0.5
138.06622	0.9
139.03897	0.6
139.07568	3.4
140.08238	0.5
141.05486	0.6
145.02841	85.9
146.03172	2.6
147.04364	0.7
148.97401	0.7
149.02321	1.1
149.04288	1.3
149.05978	25.1
149.09619	17.2
149.13275	2.8
150.05449	2.8
151.03912	1.1
151.07538	1.0
151.11215	1.0
153.05458	16.1
153.09119	1.3
154.05800	0.6
159.08022	0.9
159.11652	0.7
160.05049	2.0
161.05437	16.3
162.03166	2.2
162.05644	5.9
163.03889	9.8
163.05846	20.6
164.04483	1.4
167.03406	0.7
167.07072	0.9
171.98927	0.4
177.05464	100.0
177.08966	7.5
177.12750	1.5
177.16330	0.7
177.30615	0.5
178.03192	0.8
178.05804	3.2
178.09505	0.5
186.05496	2.8
195.02945	3.5
195.04697	0.8
195.06461	2.7
195.08484	9.2
195.10170	17.3
195.13855	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	195.0651
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03938	0.5
55.01871	1.1
55.05506	1.2
57.07046	0.6
63.02388	1.0
65.03940	0.7
67.05499	2.8
69.03419	0.4
69.07063	1.1
70.21175	1.4
71.04998	0.5
78.04708	1.3
79.05493	4.1
81.03403	0.8
81.07050	5.0
83.04965	2.0
84.08147	1.8
85.06509	0.4
89.03915	25.6
89.06020	1.0
89.32565	0.4
90.04220	0.4
91.05486	3.9
93.03396	0.6
93.07037	4.1
95.04950	1.9
95.08612	2.3
97.06519	1.8
103.05442	2.1
104.31927	0.3
105.04534	0.4
105.07024	1.4
105.33130	0.4
106.04174	2.2
107.04951	3.0
107.08578	3.2
109.06504	0.7
109.10136	0.5
111.04447	1.0
111.08035	0.6
117.03374	52.6
117.07008	0.6
118.03687	0.4
119.04914	0.7
121.06474	2.4
121.10128	1.2
124.05175	0.4
125.05994	1.1
131.08566	0.9
133.02824	0.8
133.06525	0.5
133.10149	0.8
134.03641	7.4
135.04407	9.2
135.08032	2.1
135.11682	2.6
137.05902	0.6
137.09624	0.6
140.06987	0.4
145.02840	90.0
146.03200	0.6
147.04384	0.5
149.04308	2.5
149.05977	22.3
149.09602	0.8
149.13251	0.6
150.05489	1.7
150.06573	0.4
153.05453	1.5
158.06012	0.6
159.11664	0.9
162.03146	2.0
163.03900	9.9
163.07541	0.5
164.08337	0.5
165.05510	0.9
165.06923	0.4
167.07021	0.6
168.06516	0.5
177.05461	100.0
177.12767	1.3
178.05846	1.3
180.07790	0.9
186.05508	3.0
195.03125	1.7
195.04845	1.1
195.06517	1.7
195.08485	0.8
195.10112	3.0
195.11748	0.6
195.13828	1.0
195.15509	0.5
196.06042	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03941	1.1
55.01856	0.8
55.05500	0.8
57.03447	0.5
59.05004	0.4
63.02370	0.9
65.03941	0.9
67.05499	1.7
67.07731	0.3
69.03426	0.5
70.06589	0.9
70.26320	0.3
71.01373	0.5
71.04979	0.4
78.04707	1.1
79.05488	4.5
81.03414	1.1
81.07047	2.4
84.08142	2.5
85.06543	0.5
86.09715	0.5
89.03918	24.9
89.06040	0.6
91.05490	4.2
93.03403	0.5
93.07042	3.9
95.04957	2.0
95.08595	2.1
97.06515	0.9
103.05453	2.0
105.04501	0.5
105.07029	1.4
106.04151	2.2
107.04962	7.1
107.08606	2.5
109.06509	0.9
109.10172	0.8
111.04447	1.4
117.03378	44.0
117.07037	0.5
119.04899	0.7
119.08636	0.9
121.06509	2.0
121.10158	1.1
124.05175	0.9
125.05989	1.5
125.09634	0.4
131.04924	0.7
131.08517	0.7
132.04431	0.4
134.03633	7.9
135.04410	9.2
135.08049	1.7
135.11702	2.7
136.04970	0.4
137.05965	0.8
137.09651	1.9
138.06697	0.6
139.07471	0.5
140.07050	0.5
145.02844	88.3
146.03200	1.5
148.97328	0.5
149.05978	21.6
149.09621	0.9
149.13278	1.0
150.05473	1.0
152.07903	0.5
153.05458	1.6
158.06053	0.6
158.94975	0.4
159.11714	0.7
162.03165	2.1
163.03893	12.8
163.07619	0.8
167.07002	1.0
168.82040	0.4
171.98975	0.5
177.05469	100.0
177.12733	1.1
178.05833	1.6
180.09309	0.4
186.05521	3.6
195.02959	1.6
195.06485	2.5
195.08432	1.3
195.10190	1.1
195.11961	0.7
195.13806	1.2
195.15608	0.3
196.06010	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	195.0652
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
50.61920	0.3
53.03945	0.7
55.01867	0.4
55.05509	0.9
56.05047	0.3
57.03421	0.4
63.02388	0.9
64.52570	0.3
65.03934	1.4
67.05504	1.5
68.99780	0.5
69.03426	0.5
69.07053	0.7
70.06577	0.7
70.86584	0.8
71.04993	0.7
72.08153	0.5
78.04706	1.4
79.05482	4.2
81.03421	0.5
81.07053	1.5
83.04977	0.6
84.08144	3.2
85.08474	0.4
86.06093	0.4
86.09694	1.2
89.03912	25.8
89.06026	1.0
91.05476	4.4
93.03393	1.0
93.07045	3.7
95.04954	2.3
95.08598	1.3
97.02847	0.3
97.06531	0.8
103.05463	2.4
105.07034	1.3
106.04151	2.2
107.04950	8.4
107.05636	0.6
107.08599	2.6
109.02888	0.8
109.06518	0.9
109.10161	0.7
111.04435	2.5
111.08083	0.5
115.05466	0.8
117.03372	49.6
117.07003	0.8
118.03694	0.4
119.04942	1.1
119.08591	0.6
120.05691	0.4
121.02792	0.6
121.06504	2.4
121.10121	1.5
123.04430	0.6
123.08075	0.3
124.05206	1.0
125.05982	2.3
125.32658	0.4
130.06563	0.3
131.04942	0.5
131.08568	1.1
132.04492	0.8
133.06534	0.3
133.10182	0.5
134.03632	8.1
135.04410	10.6
135.05441	0.5
135.08037	3.6
135.11690	1.6
136.05057	0.4
137.05986	1.0
137.09607	1.1
139.03897	0.6
139.07541	0.7
145.02837	86.5
146.03188	1.2
147.04402	0.6
148.97359	0.7
149.04272	1.4
149.05974	23.4
149.09543	1.5
150.05458	1.5
150.06535	0.4
151.03888	0.5
151.07506	0.5
152.07977	0.5
153.05470	3.6
154.06172	0.4
158.06035	0.8
159.11670	0.4
161.05486	0.5
162.03125	2.2
162.05426	0.4
163.03896	11.3
163.05943	0.7
163.07558	1.7
165.05524	0.4
167.07040	1.8
167.08385	0.3
167.08849	0.3
171.98978	0.6
177.05458	100.0
177.16409	0.3
178.03259	0.5
178.05936	1.4
180.07860	0.6
186.05493	4.0
195.01237	0.5
195.02852	2.4
195.04904	0.6
195.06592	2.4
195.08376	1.4
195.10095	3.5
195.11810	0.4
195.13814	1.2
195.15646	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	195.0651
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03947	1.0
55.01863	1.2
55.05507	1.6
59.57802	0.5
63.02390	0.6
65.03940	1.2
67.05499	2.6
67.65157	0.6
69.03430	1.3
69.07068	2.1
69.56347	0.7
69.56756	3.8
70.06597	1.8
71.05013	0.6
72.08149	0.7
78.04710	1.5
79.05489	4.3
81.03416	1.5
81.07056	3.7
82.06566	0.7
83.04980	1.8
84.08147	4.3
85.02932	0.7
86.09715	0.8
89.03914	25.2
89.06039	1.3
90.74638	0.5
91.05469	5.9
93.03423	0.9
93.07025	6.1
93.07480	0.6
95.04965	2.8
95.08609	3.1
97.06519	1.3
98.21502	0.9
99.04471	0.7
103.05479	2.3
105.03449	0.6
105.07039	1.9
106.04186	1.6
107.04958	6.6
107.08592	4.3
109.02870	0.8
109.06472	0.9
109.10163	1.2
111.04445	1.8
111.05578	0.7
111.08071	1.5
117.03375	48.1
117.07015	1.1
119.08576	0.8
121.02843	0.7
121.04819	0.9
121.06514	3.3
121.10167	1.7
122.03217	0.8
122.06098	0.7
123.04372	1.0
123.08080	0.7
124.05145	0.6
125.05988	2.2
131.05013	0.5
131.08516	0.7
132.04483	2.9
133.02864	1.7
133.10071	1.0
134.03635	7.3
135.04401	11.6
135.08054	3.9
135.11661	3.7
136.07629	0.8
137.05954	1.5
137.09621	4.6
137.13194	0.5
138.06596	0.9
139.07523	1.0
140.07091	0.8
145.02841	85.5
148.03931	1.9
148.97296	0.7
149.04279	14.5
149.05984	22.8
149.09615	2.0
149.13272	1.0
150.05495	7.5
150.06616	0.8
151.03839	0.9
151.07498	0.9
151.11157	0.5
153.05457	2.2
158.06020	0.6
159.11664	1.8
162.03152	2.2
163.03902	11.3
165.05461	2.3
165.06932	0.9
167.07089	1.2
168.06581	0.7
177.05464	100.0
177.12730	2.2
178.05917	1.3
180.07846	2.4
182.02640	0.5
186.05511	3.5
195.02898	2.6
195.04898	3.2
195.06529	4.0
195.08426	1.7
195.10083	5.1
195.11769	1.0
195.13805	2.3
195.15729	0.7
196.06042	1.8
201.33554	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	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03937	1.5
55.01857	2.2
55.05503	2.2
56.96556	1.0
57.03175	0.5
57.03430	4.1
63.02365	1.0
65.03926	3.8
67.05506	2.1
69.03426	2.1
69.07057	1.6
69.93941	1.5
69.94366	0.7
70.06578	1.2
71.04988	0.7
77.57671	0.4
78.04689	0.5
79.05482	13.0
81.03390	1.1
81.07043	4.2
83.04965	2.3
84.08130	2.4
85.02900	1.8
89.03909	26.5
89.06026	0.9
91.05473	10.2
93.03398	3.9
93.07034	17.5
94.07345	0.5
95.04961	3.5
95.08588	1.8
96.04465	0.5
97.06503	1.3
98.97540	1.5
99.04501	0.4
103.05474	2.5
103.06129	0.4
105.04522	0.4
105.07028	5.0
106.04156	2.7
107.04942	10.3
107.08580	15.1
107.82132	0.4
109.02845	0.6
109.06503	2.2
109.10142	0.6
110.03692	0.6
111.04430	6.7
111.08054	2.5
115.05480	0.5
116.06242	0.6
116.98602	1.0
117.03368	48.6
117.07017	6.2
118.03706	0.5
119.04936	1.4
119.08578	0.6
121.02915	0.4
121.06485	7.8
121.10136	4.1
123.04449	0.5
123.08044	0.6
124.05171	0.6
125.05980	8.1
125.09592	1.1
129.10228	0.5
131.04892	0.8
131.08556	6.2
132.04398	1.1
133.06473	1.6
133.10123	1.0
134.03621	7.5
134.05959	0.4
135.04410	9.8
135.08041	17.3
135.11671	3.4
136.08713	0.5
137.06035	0.5
137.09605	1.6
138.06569	0.8
139.07579	2.4
141.05437	0.7
145.02827	84.5
146.03163	1.3
147.04295	0.7
148.97247	0.4
149.04196	0.7
149.05971	22.3
149.07845	1.0
149.08347	0.7
149.09587	11.7
149.13246	1.6
150.05467	2.1
151.07455	0.5
153.05452	12.7
153.09042	1.4
158.06038	0.6
158.99654	0.5
159.11703	0.7
160.05051	1.0
161.05457	5.7
162.03070	2.3
162.05585	1.9
163.03871	9.4
163.05833	9.0
163.07468	0.8
163.91447	0.4
165.05444	0.5
167.07008	1.1
167.10663	0.5
171.98868	0.6
177.05449	100.0
177.08862	6.0
177.12694	0.9
178.05856	2.1
186.05484	2.9
195.02882	1.7
195.04852	0.5
195.06438	2.0
195.08394	5.6
195.10152	11.7
195.13776	1.7
195.15369	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	0.5
55.01870	0.5
57.86719	0.4
63.02358	0.5
65.03922	0.6
71.38133	0.8
71.38458	0.5
78.04713	1.0
79.05474	1.4
84.08128	0.6
89.03916	25.7
91.05470	2.8
93.03403	0.6
93.07030	0.7
95.04954	1.3
103.05442	1.5
106.04178	1.7
107.04949	1.7
111.04427	1.3
117.03377	51.2
119.04944	0.4
121.06503	1.3
125.05979	1.0
129.04614	0.4
130.30197	0.4
134.03633	7.6
135.04408	7.9
135.08067	1.0
137.06041	0.5
145.02843	94.1
146.03194	1.1
149.05980	23.7
149.09619	0.6
153.05466	2.5
158.06039	0.7
162.03137	1.8
163.03915	8.9
177.05467	100.0
178.05814	1.1
186.05504	2.3
194.83525	0.4
195.06441	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	194.9666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52625	6.5
60.04528	15.6
69.03419	8.6
71.50900	9.5
81.03418	75.1
84.08139	10.7
85.02904	8.3
86.09676	6.6
93.07089	7.2
99.04428	7.3
100.29881	6.6
104.97124	9.1
107.65555	6.6
109.02876	43.4
113.96820	6.8
127.13190	6.1
134.94536	8.4
135.04422	6.2
145.02779	8.2
148.96085	9.1
149.06020	7.2
177.05411	11.0
194.94991	6.8
194.96681	100.0
195.02956	9.0
195.06477	7.8
208.19186	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	194.9667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10674	13.0
53.45820	14.7
55.84169	16.5
56.05006	16.7
59.48093	14.7
59.88886	19.0
60.04517	22.4
70.06596	22.6
70.94912	44.5
79.05460	20.3
81.03421	26.9
84.04475	22.2
84.08132	97.0
86.09687	45.0
90.31856	14.8
91.05474	38.7
93.07079	24.3
107.04977	21.0
117.73619	16.5
122.84067	16.0
125.06019	19.7
129.10176	20.8
137.05983	51.1
145.02785	28.9
152.07056	96.5
153.05453	44.1
163.03868	19.6
173.85876	16.4
177.05412	23.7
178.03246	36.1
178.08578	100.0
184.06685	17.8
194.96661	64.9
195.11522	26.2
200.23154	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03937	0.7
55.01868	1.4
55.05497	3.0
56.05020	0.7
56.96564	2.5
57.03424	1.3
63.02375	1.0
65.03938	1.7
67.05511	2.0
68.99791	0.5
69.03425	1.6
69.07064	1.2
70.06596	1.1
71.04983	0.8
71.32862	0.9
72.08145	0.6
78.04707	1.4
79.05064	0.3
79.05489	8.6
81.03409	1.0
81.07053	5.0
83.04968	3.3
83.08604	0.5
84.08139	5.4
85.02895	0.4
86.09692	1.3
89.03912	24.4
89.06036	0.8
91.05476	7.0
93.03409	1.8
93.07037	7.2
95.04955	3.1
95.08602	1.1
97.02869	0.9
97.06519	1.2
98.97574	3.0
103.05460	1.7
105.03427	0.5
105.04469	0.4
105.07007	1.9
106.04182	2.0
107.04947	7.1
107.08588	7.4
109.06500	1.9
110.07158	1.1
110.97615	0.4
111.04439	4.7
111.08057	1.1
115.05390	0.5
116.98615	3.0
117.03374	45.5
117.07012	2.2
119.04919	1.3
119.08583	0.8
121.02871	0.5
121.06498	3.9
121.10136	2.2
123.04389	0.5
124.05185	1.1
125.05994	4.2
126.06669	0.5
128.98602	0.5
131.08556	2.5
132.04422	0.5
133.06482	1.0
133.10123	0.6
134.03629	7.6
134.99681	1.4
135.03401	0.8
135.04413	10.7
135.08043	7.6
135.11674	1.3
137.05952	1.6
137.09691	0.5
138.06598	3.7
139.03951	0.5
139.04971	0.5
139.07542	0.8
145.02837	87.2
146.03188	1.4
146.99614	0.5
148.79591	0.5
148.97318	1.0
149.04205	1.4
149.05975	23.2
149.07889	1.0
149.09619	5.0
149.13219	0.6
149.97166	0.5
150.05423	2.2
153.05446	7.8
153.07620	0.4
153.09039	0.7
158.05983	0.5
158.99677	0.5
159.11755	0.4
162.03140	2.0
163.02556	0.8
163.03893	10.4
163.07558	0.8
165.05473	0.6
167.07021	1.7
167.08397	0.5
177.05460	100.0
177.16423	0.5
178.03313	0.8
178.06039	1.9
186.05528	3.3
186.99193	0.8
189.00728	0.5
195.02943	2.8
195.04828	0.7
195.06483	2.5
195.08658	4.6
195.10182	5.9
195.11923	0.9
195.13846	1.0
195.15767	1.0
196.06058	0.6
201.00705	0.6
205.00339	0.4
213.58000	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	194.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00263	0.8
53.03928	1.3
55.01857	1.6
55.05502	4.9
56.05019	2.7
56.96545	2.3
57.03410	1.1
57.07069	0.8
60.61401	0.7
65.03907	2.9
67.05504	4.4
68.05008	1.3
68.99773	0.8
69.03410	3.0
69.07042	3.7
70.06586	7.8
71.04957	1.3
71.57161	1.1
72.08147	6.8
79.05481	7.6
80.05009	4.2
81.03393	1.8
81.07027	2.7
82.06577	1.4
84.04493	2.3
84.08139	87.3
84.96004	1.0
85.08474	4.4
86.09702	100.0
87.04446	5.7
87.10026	5.5
89.03926	5.6
89.06033	1.4
91.05473	6.2
93.07055	7.1
94.06555	1.3
95.04924	2.7
95.08565	1.5
96.08093	1.2
97.02856	1.5
97.06477	1.0
98.06035	2.2
98.97569	1.3
103.05447	1.7
104.04967	1.1
105.03407	2.0
105.07005	2.8
106.06510	1.8
106.07303	2.1
107.04955	4.9
107.08585	5.2
108.04456	6.2
108.05608	1.0
109.02877	2.7
109.06504	1.0
110.06046	2.2
110.07143	1.3
111.04415	3.7
111.05505	0.9
111.09187	2.0
112.07525	1.1
117.03381	9.6
117.06972	3.0
119.04912	1.5
120.04478	4.9
120.08057	2.6
120.08842	2.1
121.02811	2.7
121.06523	7.2
121.10144	1.9
122.06036	1.3
123.04379	1.5
124.03946	1.2
124.05099	1.3
125.06029	1.4
125.07117	1.2
129.10236	18.6
130.08591	1.4
131.04878	0.9
131.08524	2.5
133.05165	0.9
133.06425	1.0
134.05946	3.5
134.06882	1.8
135.04405	6.0
135.06699	1.0
135.08003	4.5
135.08894	0.9
135.11662	1.4
136.07550	5.6
137.05957	2.5
138.05464	3.7
138.06421	1.1
144.10190	48.7
145.01781	1.5
145.02834	19.9
145.10464	2.0
148.03914	19.1
148.04985	0.8
148.07494	4.5
149.02328	2.5
149.05978	8.3
149.07965	1.2
149.09552	3.1
150.05412	2.4
151.02589	1.0
151.03816	0.9
151.07486	2.2
152.07047	6.6
153.05385	3.0
161.11522	0.9
161.12837	23.4
162.06419	1.0
162.13155	1.6
163.03937	4.9
163.07559	1.6
164.07057	2.9
165.09073	2.0
166.04929	2.3
166.08656	8.0
167.07071	1.3
175.11864	1.6
176.03389	7.8
176.06987	2.8
177.05464	19.1
177.06992	1.5
177.07640	0.8
177.09018	2.9
179.05821	1.3
194.02667	2.1
194.04446	43.6
194.08069	15.9
194.11688	9.2
194.15353	16.1
195.02910	4.7
195.04657	1.6
195.06445	2.2
195.08458	0.9
195.10118	3.1
209.01184	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	193.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73941	2.3
70.74279	1.2
79.05475	3.3
80.06277	2.5
84.92187	0.9
91.05481	10.0
93.07048	3.4
94.06552	1.0
95.05003	1.1
95.93924	0.9
98.21449	1.0
103.05458	12.7
105.07034	2.3
106.06562	1.6
107.04960	3.5
108.05741	4.6
109.06571	1.1
109.93146	0.8
117.07025	1.1
119.04943	10.0
120.08091	2.8
121.06493	7.3
122.06079	2.1
123.04453	1.1
124.05219	11.6
130.06509	10.6
131.04922	21.2
134.06013	8.7
135.04454	1.8
135.06847	1.2
136.05200	25.6
136.06155	1.5
136.07539	1.1
137.05992	3.3
145.06468	2.0
146.06015	2.6
147.09169	3.2
148.07561	12.6
149.05965	62.5
150.05478	3.9
150.06561	0.9
151.06421	0.9
151.07545	2.8
151.08650	1.5
152.07019	1.7
153.07877	7.8
158.06015	9.0
159.04443	2.5
163.07533	1.9
164.07082	1.1
165.09097	2.0
167.07019	1.7
175.08661	8.3
176.07054	100.0
177.07414	2.2
193.09663	18.4
193.34776	0.9
194.08131	6.6
194.10182	1.6
194.11746	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01863	1.8
55.05508	10.6
57.03433	0.9
57.07057	3.4
59.04986	1.6
65.03916	1.7
66.63802	0.9
67.05499	12.0
69.03416	2.4
69.07065	25.0
71.04991	14.3
71.61406	1.5
79.05493	9.3
80.05009	1.3
81.03416	2.0
81.06596	1.3
81.07053	20.8
83.04966	1.7
83.08606	3.6
85.06529	12.9
87.04449	1.4
91.05479	11.7
93.06481	1.8
93.07041	25.0
93.07623	1.3
95.04962	36.1
95.08607	19.5
97.06541	5.0
97.10174	7.1
97.87949	0.9
98.06045	1.1
99.08090	3.3
103.05429	1.5
105.07032	19.5
107.07877	1.8
107.08587	32.5
108.04445	1.7
109.06512	100.0
109.10155	16.9
110.06844	1.6
110.91267	0.9
111.08086	6.4
111.11706	2.0
115.05423	1.8
117.06978	1.3
119.04974	1.4
119.08578	25.8
120.08038	1.4
121.10133	7.3
123.04401	1.6
123.08060	8.7
123.11703	23.1
125.09613	1.2
131.08563	1.1
133.02867	6.4
133.06519	7.0
133.10127	25.6
135.08046	1.7
135.11685	32.2
136.07591	1.4
137.05971	3.2
137.09615	13.2
146.97400	1.8
147.04358	2.5
147.07997	1.1
147.11726	5.1
148.07521	1.8
149.02333	2.0
149.05891	1.4
149.13264	8.6
150.03110	1.1
151.07463	1.4
151.11180	5.8
151.14806	1.1
158.38901	0.9
161.02464	1.2
161.05896	4.1
165.05452	2.5
165.07362	0.9
166.08621	1.8
169.99130	1.1
175.11249	1.3
175.14818	35.8
176.03526	1.0
178.02625	5.0
193.04951	18.0
193.06830	3.1
193.08504	1.6
193.10568	1.9
193.12251	3.9
193.15881	54.8
194.08138	4.5
194.11722	1.8
194.15581	1.5
204.67886	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	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02391	0.5
53.03938	1.5
55.01869	5.0
55.05500	2.0
56.96563	0.6
57.03426	0.6
57.07062	0.8
65.03947	1.4
66.04729	0.8
67.05502	4.1
69.03414	1.6
69.07064	1.9
69.82080	3.1
70.06582	0.7
71.04993	0.8
77.03917	0.8
78.04768	0.5
79.05492	13.4
79.81310	0.5
80.95076	0.6
81.03406	5.0
81.07050	4.4
83.04973	1.0
83.08621	0.9
84.08128	1.3
86.09655	0.5
87.04469	0.6
90.04718	0.7
91.05481	16.0
91.06026	1.1
93.03391	0.9
93.07056	4.2
93.93221	0.5
95.04974	6.2
95.08614	1.8
97.02898	0.9
97.06530	0.7
103.05458	12.2
104.06271	4.3
105.03413	1.3
105.07027	100.0
106.07360	1.9
107.04953	3.2
107.08593	3.8
109.02892	0.8
109.06512	2.4
109.07632	0.7
109.10133	3.0
111.04452	0.5
112.69070	0.5
115.05449	17.5
117.03400	0.7
117.07013	1.0
118.04143	9.0
119.04937	2.7
119.08590	7.6
120.03751	0.5
120.04451	2.8
120.05575	0.5
120.08146	0.8
121.02856	1.5
121.06492	1.3
121.10150	1.0
122.03604	0.6
123.04381	1.2
123.08080	2.3
123.11691	0.6
129.06984	1.2
131.04926	4.6
131.08563	2.0
132.05701	2.7
133.02866	5.1
133.06490	78.9
133.10120	15.9
134.06862	1.8
135.04413	1.4
135.08014	0.7
135.11699	1.8
136.05180	0.7
136.07553	1.0
137.05986	4.1
137.09613	1.8
143.04929	1.9
143.06053	6.0
145.02850	1.2
146.97536	0.7
147.04381	2.0
147.05548	1.9
147.08067	2.1
147.11705	5.9
148.03928	20.0
148.07516	0.6
149.02351	2.3
149.05994	2.8
149.09644	1.4
150.03174	1.2
150.06779	1.5
151.03900	0.8
151.07533	1.5
151.11156	0.7
152.07045	0.8
157.10136	1.2
160.05066	4.1
161.06029	64.7
162.06377	1.9
164.03311	0.5
165.05498	2.1
165.09074	1.2
165.12804	0.6
166.08607	0.9
169.99127	0.6
175.03929	0.9
175.07526	0.8
175.11220	3.5
175.14795	3.0
176.07086	0.6
177.05461	1.2
178.02585	4.9
178.06300	2.9
178.07735	0.5
181.06624	0.9
193.04951	15.4
193.08604	57.0
193.12228	4.8
193.15865	3.2
193.17430	0.6
194.04425	4.3
194.08043	1.0
194.08942	0.6
194.11703	0.6
194.15350	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01849	1.1
55.05509	3.3
56.96537	0.6
57.03413	0.8
57.07052	0.9
65.03925	1.2
66.04723	0.7
67.05496	4.2
69.03086	0.7
69.03421	6.3
69.07069	4.6
69.55194	3.8
69.87795	0.6
70.06577	0.9
71.04964	1.9
79.05486	9.0
81.03412	0.8
81.06669	0.6
81.07056	6.8
83.04984	4.3
83.08595	1.7
84.08131	0.9
85.06525	1.2
86.09724	0.7
91.05471	15.1
92.05775	0.8
93.06486	0.8
93.07040	12.1
95.04961	3.8
95.08601	7.6
97.06528	3.4
99.08159	0.5
102.03362	0.6
102.04639	0.6
103.04825	0.6
103.05466	9.2
105.03391	1.2
105.07033	18.1
107.04955	8.7
107.08588	20.2
108.05689	0.6
109.06499	4.5
109.07607	0.6
109.10173	3.7
110.07130	1.3
111.08036	1.7
115.05442	2.8
116.06228	1.3
117.07005	7.5
118.04150	3.7
118.06501	0.9
119.04948	1.3
119.08579	8.6
120.05648	0.6
120.08113	3.0
121.02831	1.0
121.05679	0.9
121.06496	13.1
121.10138	14.8
123.04427	0.6
123.08063	4.3
123.11666	0.7
129.06999	1.8
130.04118	1.5
130.07817	2.6
131.04926	8.9
131.08565	20.8
132.05602	3.9
133.02818	1.9
133.06433	2.3
133.10123	14.3
135.04410	1.5
135.08051	11.2
135.11693	3.0
136.06189	1.4
136.07521	0.6
143.08556	2.4
144.09326	1.1
145.06454	2.8
145.10115	22.5
146.03674	1.0
146.05968	1.9
147.04352	0.9
147.08020	2.0
147.11682	9.2
148.05185	4.8
148.07661	1.0
148.08740	1.3
149.05936	1.8
149.09604	8.4
149.13243	4.6
155.08557	1.0
158.10922	3.1
159.04362	1.0
159.30252	0.6
160.05052	100.0
161.06024	0.8
161.09648	0.9
162.05441	1.4
163.03874	1.4
163.06152	0.9
163.07530	8.4
163.11182	4.9
163.14818	2.5
164.07048	0.9
173.05971	1.7
173.09610	3.0
173.13266	13.2
174.05539	0.9
176.04672	2.4
191.03424	3.2
191.05330	0.5
191.06989	10.4
191.08774	1.1
191.10641	9.9
191.14302	36.3
192.07771	16.5
192.10291	0.9
192.14247	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	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.44041	0.6
53.03944	1.5
55.01874	3.7
55.05500	2.1
57.03442	0.7
57.07052	0.7
57.78632	0.5
64.99580	0.6
65.03936	1.1
67.05499	3.5
69.03426	1.8
69.07070	1.6
70.03956	2.5
71.04970	0.6
78.04700	0.7
78.47939	0.5
79.05490	15.6
80.05002	0.6
81.03413	7.3
81.07053	4.6
83.04955	0.8
83.08617	0.9
84.08137	0.7
87.04467	0.5
90.04706	1.2
91.05473	11.5
93.07052	3.9
95.04970	5.8
95.08592	4.3
97.02904	0.6
98.20856	0.6
103.05459	15.1
104.06252	7.0
105.03391	0.8
105.07026	100.0
106.06763	0.5
106.07340	2.5
107.04960	2.0
107.08588	4.0
108.04486	0.8
109.06517	2.3
109.10136	5.6
112.42140	0.5
115.05449	19.7
117.07038	0.7
118.04152	10.0
119.04915	1.8
119.08571	5.3
121.06493	1.5
121.10152	1.2
123.08085	1.3
123.11704	1.7
131.04915	4.5
131.08582	1.5
132.05705	5.2
133.02888	2.9
133.06485	83.8
133.10104	8.5
134.06825	1.0
135.04378	0.8
135.08081	0.8
135.11694	3.9
137.05972	2.9
137.09592	1.5
143.04897	1.7
143.06046	5.3
145.02844	0.7
146.97444	0.8
147.04422	1.6
147.08075	0.8
147.11681	2.9
148.03888	0.8
148.05060	0.7
148.07454	0.7
149.02307	1.1
149.06000	4.3
149.09590	1.3
150.03088	1.2
150.06732	1.2
151.03934	0.8
151.07515	1.7
151.11189	0.6
157.10143	0.8
160.05161	4.0
161.05986	63.3
162.06363	1.6
165.05435	1.6
165.09200	1.2
171.76588	0.6
175.03882	1.0
175.07457	1.0
175.11157	1.8
175.14839	3.7
176.07040	0.7
178.01021	0.6
178.02608	2.3
178.06256	4.4
193.04951	11.1
193.08594	80.5
193.15800	5.4
194.05319	0.6
194.08900	1.8
194.11760	0.6
194.15428	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.98387	0.9
53.03926	2.0
55.01855	2.9
55.05505	5.2
56.96576	1.0
57.03417	1.4
57.07055	1.8
59.05003	1.1
62.90461	0.8
63.42203	0.9
65.03940	1.4
67.05501	24.2
69.03427	8.9
69.03753	1.6
69.07060	11.4
71.03291	1.1
71.03633	2.4
71.04611	1.2
71.04990	18.0
77.03903	0.9
79.05079	1.5
79.05495	17.8
79.39493	0.9
81.07054	15.5
81.75053	0.9
83.04970	4.9
83.08607	5.3
85.06543	7.3
86.06860	0.9
91.05472	20.6
93.07038	17.7
95.04958	16.5
95.08595	17.4
97.06523	7.6
101.06912	0.9
103.05471	9.3
105.03384	1.9
105.06314	1.6
105.07026	34.2
107.04960	4.8
107.08590	46.3
109.06513	30.6
109.10152	87.6
110.10464	2.1
111.08053	1.9
115.05486	2.4
116.06204	1.4
117.07007	7.2
118.04156	3.1
119.08581	13.3
120.05726	1.1
121.06494	8.9
121.10138	36.4
123.08066	13.9
129.06973	4.1
130.04147	2.4
130.07787	1.8
131.04950	5.2
131.08559	50.3
132.05545	1.2
133.06477	3.4
133.10126	28.1
135.04414	1.9
135.08049	81.5
135.11653	7.3
137.09634	1.6
143.08537	6.9
144.09277	1.8
145.06549	1.1
145.10104	15.7
146.06017	2.1
147.08055	3.3
147.11673	13.1
148.05153	3.0
148.07549	1.4
148.08827	2.2
149.09610	14.7
149.13264	8.8
150.10368	3.0
158.10889	9.5
160.05043	16.9
161.09657	3.0
162.05472	1.4
163.03889	2.0
163.07521	7.3
163.11159	3.2
163.14809	3.0
171.11717	1.4
173.05882	1.1
173.07214	1.1
173.09660	2.4
173.13261	47.6
174.13553	1.8
176.04671	2.2
176.11937	2.7
191.03403	2.5
191.06978	7.8
191.10721	6.4
191.14299	100.0
191.17917	3.8
192.06499	3.6
192.07736	4.2
192.10117	1.1
192.14674	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.08393	1.1
53.03938	1.7
53.32194	1.1
55.01862	2.5
55.05509	12.9
56.99546	1.3
57.03410	2.2
57.07069	2.9
64.92578	1.0
65.03941	2.1
65.80478	1.1
67.05505	12.1
69.03429	14.3
69.07069	12.5
71.04976	4.0
79.05495	21.5
81.07052	28.5
83.04977	14.8
83.08608	5.3
85.06528	6.5
91.05481	29.8
93.07038	33.5
95.04962	9.2
95.08604	29.9
97.06535	11.9
97.10172	1.3
98.21560	2.3
103.05473	19.6
105.03381	2.1
105.06320	1.8
105.07033	50.3
107.04953	26.7
107.08591	73.4
109.06520	19.7
109.10137	10.8
111.08100	6.0
115.05424	2.3
116.06270	2.1
117.07020	10.0
118.04149	4.8
119.08578	26.9
120.08114	2.2
121.02846	1.4
121.06503	44.1
121.10140	51.2
122.10434	1.4
123.08070	19.1
123.11671	1.6
128.06227	1.2
129.07013	5.0
130.04131	1.9
130.07852	2.1
131.04935	12.3
131.08565	50.6
131.09550	2.8
132.05630	3.4
133.02853	4.4
133.06468	3.2
133.10129	38.6
135.08052	27.1
135.11703	7.2
143.08549	7.8
144.09355	2.7
145.06517	1.9
145.10127	24.9
146.05992	2.4
147.08052	1.4
147.10513	2.1
147.11690	38.7
148.05188	8.3
148.08823	2.0
149.08414	2.1
149.09618	34.7
149.13248	17.8
151.06245	1.2
158.10924	9.0
160.05067	85.5
162.05482	2.1
163.03889	1.9
163.07550	14.3
163.11189	7.2
163.14821	14.7
171.11798	1.4
173.05934	2.1
173.09644	3.6
173.13266	49.6
176.04729	2.3
176.11945	2.1
191.03372	2.4
191.07008	12.5
191.10713	6.6
191.14310	100.0
192.07773	15.7
192.14629	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	191.1066
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
50.18364	0.4
52.48471	0.4
53.03940	1.7
55.01644	0.6
55.01863	3.3
55.05509	3.4
57.03426	1.0
57.07066	0.6
65.03936	2.3
67.05504	6.2
69.03081	0.8
69.03426	7.5
69.07071	3.7
69.21690	1.7
69.22115	3.1
71.04980	1.7
79.05492	13.0
81.03421	5.8
81.07056	14.0
83.04978	28.4
83.08617	0.9
84.05280	0.9
85.06547	0.5
91.05476	28.0
93.03394	1.6
93.07041	13.8
94.04179	2.2
95.04965	5.7
95.08614	2.7
97.06519	3.5
98.20789	0.8
99.04429	0.6
102.04669	0.6
103.05470	6.7
105.04494	0.5
105.07027	32.5
106.07336	0.5
107.04951	15.1
107.08588	14.3
109.02844	1.6
109.06513	100.0
109.10157	2.7
110.06726	0.9
110.07371	0.8
111.04456	1.1
115.05431	4.9
116.06239	3.2
117.07018	21.7
118.04156	1.4
119.04910	1.3
119.06046	0.7
119.08583	7.7
120.08120	0.6
121.02863	1.5
121.06511	7.3
121.10127	9.6
123.04446	0.9
123.08054	1.6
128.06221	2.0
129.06985	6.2
130.04147	0.7
130.07779	13.4
131.04935	6.5
131.08565	48.7
132.05647	1.5
132.08894	1.1
133.02844	0.5
133.06543	2.4
133.10127	23.6
135.04390	1.2
135.08049	7.8
135.11699	3.8
137.09605	2.9
143.08562	6.1
144.05713	2.2
144.09236	0.7
145.06487	6.1
145.10117	62.9
146.06012	0.7
146.10458	1.6
147.06927	0.9
147.08035	8.1
147.11653	2.6
148.05132	1.7
148.08846	0.9
149.05960	2.5
149.09612	8.8
149.13272	4.1
153.07005	1.1
155.06018	0.7
155.08560	9.1
157.06458	0.7
158.07312	2.6
158.10909	2.1
160.05063	16.9
161.09648	1.3
163.03862	0.6
163.07507	4.3
163.11177	7.6
163.14867	0.6
164.07030	0.4
167.05649	0.7
173.09622	46.8
173.13200	7.5
174.09926	1.2
176.04570	1.1
191.03384	1.5
191.07018	4.8
191.10666	42.7
191.14301	19.8
192.06248	0.8
192.07921	2.6
192.11000	1.4
192.14572	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	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
51.02372	0.7
53.03934	1.7
55.01854	3.4
55.05499	2.6
55.21058	0.6
57.03437	0.6
57.07066	0.8
57.16942	0.5
64.14516	0.5
65.03936	1.0
67.05506	6.9
68.95080	0.5
69.03427	4.5
69.07079	3.8
69.76696	3.2
70.06591	0.6
71.04985	1.9
73.41117	0.5
77.03891	0.6
79.05486	17.9
81.03425	0.8
81.07043	4.9
83.04974	5.5
83.08640	0.8
83.32523	0.5
84.08115	0.9
86.09672	0.5
91.05476	25.3
93.07041	10.6
95.04984	4.9
95.08603	3.5
97.06517	2.3
103.05461	5.2
105.03384	0.8
105.04536	0.5
105.07029	21.3
107.04950	8.7
107.08585	18.1
107.09312	1.0
108.05711	0.9
109.06503	3.9
109.07660	0.7
109.10165	1.5
109.39693	0.5
111.08051	0.6
115.05433	3.0
116.06220	3.1
117.06234	1.0
117.07013	12.7
118.04131	0.7
118.06539	1.1
119.04929	0.8
119.08575	13.6
120.08089	0.8
121.06513	9.1
121.09328	0.8
121.10140	7.9
123.08051	2.0
125.05938	0.7
128.06207	1.4
129.07008	8.2
130.07779	5.2
131.04906	3.4
131.08559	71.8
132.05598	3.0
132.08907	1.8
133.06430	2.1
133.10123	8.9
135.04404	3.1
135.05402	0.9
135.08058	8.2
135.11674	3.1
136.06198	0.6
136.08725	0.6
137.05956	0.8
143.08577	2.6
144.09256	0.7
145.06487	7.2
145.10115	37.5
146.06004	2.6
146.06967	0.6
146.10472	1.0
147.04416	1.0
147.06947	1.0
147.08047	9.4
147.11697	4.4
148.05162	1.7
149.05977	2.6
149.09607	15.6
149.13240	1.9
153.06989	0.6
155.08528	4.0
158.10878	2.0
160.05054	100.0
161.09610	1.2
163.03905	0.9
163.07541	14.5
163.11140	6.1
163.14819	0.6
164.06998	0.9
173.09621	17.1
173.13239	7.3
174.05489	0.8
176.04683	0.7
191.03578	1.0
191.07027	5.3
191.10666	45.1
191.14276	30.2
192.07770	17.6
192.10376	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	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
51.02386	0.9
53.03943	6.4
55.01875	2.1
55.05509	17.3
55.62972	0.6
56.96558	5.1
57.03431	2.3
57.07085	1.2
60.04533	0.7
60.16610	0.8
61.02906	1.2
65.03949	1.6
66.18128	0.7
67.05495	5.2
69.03426	6.7
69.07063	4.5
70.06596	1.4
71.04996	2.0
71.16808	1.2
72.93816	0.7
73.02920	1.8
73.88521	0.6
74.06131	0.7
77.03927	4.1
79.05492	46.9
80.05817	0.8
81.03426	1.4
81.07046	7.4
83.04977	100.0
83.08618	1.3
84.05289	1.5
84.08149	1.7
85.02897	2.1
85.06546	0.9
86.09717	0.9
89.03898	1.9
91.05480	14.8
93.07041	10.9
95.04965	15.7
95.08604	3.9
97.02885	2.6
97.06525	2.0
98.97562	1.6
103.05464	5.8
105.03387	25.6
105.04427	3.6
105.07029	20.0
107.04953	23.9
107.08585	15.1
108.08096	0.8
109.02844	1.0
109.06506	5.3
109.07649	1.1
109.10145	4.3
110.07162	2.5
110.08430	0.8
111.04449	1.0
111.08032	0.8
115.05474	1.9
116.06272	1.1
116.98611	2.5
117.03336	1.0
117.06997	7.7
118.06521	2.5
119.04945	1.5
119.08578	10.7
119.16170	0.6
120.08083	6.8
121.02831	1.2
121.06511	6.8
121.08429	1.8
121.10140	8.9
122.06133	0.7
123.04382	0.9
123.08045	2.3
123.09003	0.6
123.11718	1.0
128.06239	0.9
128.98592	1.2
129.07022	3.2
129.53659	0.9
130.07785	3.7
131.04926	3.6
131.08563	19.3
132.95876	0.9
133.06575	1.3
133.10127	15.7
134.06010	1.1
134.99684	1.1
135.04411	71.1
135.08038	7.2
135.11685	3.9
136.04782	1.3
136.06166	1.5
136.08688	0.8
143.08533	2.4
143.95567	0.7
145.02814	1.7
145.06467	2.2
145.10112	19.4
146.06009	4.7
146.73534	0.8
146.99570	1.0
147.03059	0.7
147.04362	1.7
147.07930	1.3
147.11670	5.1
148.05190	1.6
148.07579	1.7
148.08755	2.0
149.04755	1.5
149.05928	2.6
149.08394	1.4
149.09612	22.4
149.13249	3.8
150.09103	1.4
150.10228	1.4
150.96881	2.7
151.06320	1.5
151.09900	1.4
152.66370	0.7
155.08556	1.0
158.07213	1.4
158.10883	2.0
159.04408	1.0
160.05042	2.9
161.01199	1.8
161.05975	2.8
161.09589	1.3
162.05498	1.6
163.03903	8.7
163.07509	3.2
163.11142	5.1
163.14793	1.5
164.07059	3.6
171.09222	0.7
173.04492	0.8
173.05875	0.8
173.09557	4.5
173.10818	0.7
173.13242	10.7
174.05461	0.9
176.04703	1.9
176.08313	1.5
176.11905	0.9
177.07823	0.7
189.55759	4.9
191.03372	5.2
191.06929	7.2
191.10629	53.5
191.14293	22.0
192.04904	1.2
192.06514	8.8
192.11116	0.9
198.04405	1.4
201.06764	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	191.1067
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03947	5.9
55.01862	1.8
55.05512	17.8
56.05043	0.8
56.96569	5.4
57.03429	0.8
57.07075	1.5
57.10989	0.6
60.26339	0.6
61.01149	1.0
61.02934	0.7
65.03927	2.1
67.05502	4.0
68.05020	1.0
68.99794	0.9
69.03432	9.5
69.07070	3.5
70.06592	2.2
71.05000	1.1
71.53980	1.0
72.93787	1.3
74.06077	0.7
77.03929	4.6
78.04737	0.6
79.05492	52.2
80.05017	1.0
81.03413	1.4
81.04528	1.0
81.07052	7.4
82.06592	0.6
83.04979	100.0
84.05309	1.6
84.08141	1.8
84.94901	0.6
85.02892	2.4
85.53442	0.6
86.09675	1.1
87.05578	2.5
89.03932	0.7
90.94820	1.1
91.05473	13.2
93.07044	10.8
94.06558	1.2
95.04381	1.1
95.04967	14.0
95.08594	2.1
97.02893	3.1
97.06517	1.1
98.97581	3.8
103.05496	4.5
105.03367	0.7
105.04520	2.8
105.07030	15.4
106.06570	1.6
107.04956	25.4
107.08591	13.4
108.04546	0.7
109.02840	1.7
109.06540	4.1
109.07652	1.3
109.10148	2.1
110.06033	0.6
110.07159	1.7
111.30633	0.8
115.05506	1.6
116.06236	0.7
116.98615	2.3
117.05745	0.6
117.07028	4.9
118.06530	2.6
119.08575	6.0
120.08089	2.2
121.02889	8.2
121.06503	11.5
121.10139	7.2
122.06002	1.0
123.08048	1.0
127.03899	0.9
128.06192	0.7
128.98607	0.7
129.06993	2.1
130.07761	3.7
131.04939	6.6
131.08575	8.2
132.04459	1.5
133.02850	0.7
133.06487	1.4
133.10155	4.7
134.06013	1.4
134.07063	0.8
134.99660	1.9
135.04411	76.3
135.08031	6.8
135.09059	1.0
135.11710	4.0
136.04750	1.7
143.08394	2.1
145.06467	2.2
145.10126	13.4
146.06021	6.2
146.99629	1.1
147.04384	1.4
147.06841	1.0
147.07990	1.4
147.11693	2.9
148.05196	0.7
148.07544	2.6
148.08656	1.0
149.04800	0.6
149.05933	3.9
149.09615	10.5
149.13239	1.9
149.96046	1.1
150.10222	0.8
150.96829	3.3
151.06239	1.5
151.11040	0.8
158.07300	1.7
158.10928	1.2
158.99657	1.4
159.04396	1.8
160.05032	2.1
161.01175	0.9
161.05920	1.4
162.05434	1.3
163.03925	4.1
163.06058	1.1
163.07509	4.4
163.11179	6.0
163.14813	1.2
164.07060	2.3
167.05510	2.2
167.97212	1.2
169.01743	1.1
169.03389	0.8
172.51382	0.7
173.02364	0.8
173.05952	1.3
173.09590	3.7
173.10892	0.7
173.13293	4.7
174.05446	1.5
174.82715	0.6
176.04691	1.3
176.08275	0.9
176.11804	0.7
177.00623	1.2
179.04616	1.0
187.02751	1.7
188.54837	1.4
191.03419	5.2
191.05353	1.7
191.06889	6.4
191.10646	28.5
191.14311	15.6
192.06483	5.4
192.10155	1.3
192.17427	0.8
213.00696	4.0
214.03897	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	189.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34781	0.3
54.34681	0.3
56.05025	1.7
60.08161	26.9
60.68114	0.3
67.05505	3.0
69.07062	0.4
70.06606	0.4
71.02689	0.7
73.76184	0.3
74.02437	0.6
75.86269	0.3
77.89884	0.3
78.94939	0.4
78.95633	12.8
84.08138	100.0
85.06532	0.9
85.08478	1.4
86.09692	0.7
93.92255	0.5
94.93008	45.8
97.62912	0.3
102.09135	0.4
105.14310	0.3
109.91700	5.2
130.08630	43.6
131.09000	0.5
135.89667	0.3
144.13820	3.1
151.26447	0.4
155.51088	0.3
175.24266	0.3
188.89616	1.9
189.15968	20.8
190.16241	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	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96556	0.4
69.90250	1.0
70.06590	0.3
75.05587	0.3
79.05484	0.4
83.05025	0.2
84.04543	0.2
84.08132	0.4
84.74018	0.2
89.03905	1.3
92.72416	0.2
98.97637	0.3
107.04955	0.3
110.07166	0.3
116.04983	3.0
116.98572	0.2
120.04440	0.2
120.08125	0.4
121.02831	0.2
130.06505	0.2
131.04951	0.4
134.06035	0.5
134.09660	0.2
135.04434	0.3
137.05928	0.2
144.04431	0.8
149.09610	0.2
162.05495	100.0
163.05858	2.5
165.21204	0.2
172.03894	0.3
175.06311	0.3
185.07127	0.3
190.04980	32.6
191.03387	0.4
191.05273	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	189.1235
Annotation	19461-38-2
Peak:m/z	Relative Intensity
55.05502	0.5
55.50127	0.2
56.05029	0.6
58.06585	0.3
60.05654	4.5
60.08144	0.3
62.13854	0.2
65.61138	0.2
69.03417	0.6
69.07063	0.6
70.00436	1.3
70.06596	12.8
71.92123	0.2
72.08152	1.7
72.93806	0.2
78.96374	0.3
79.05484	0.3
81.03406	0.3
83.04971	0.4
83.06105	0.3
84.04504	0.4
84.08141	2.2
85.02879	0.3
85.04025	0.3
86.06104	0.3
86.09705	100.0
87.10036	1.0
88.88548	0.2
91.05489	0.7
98.06039	0.5
98.21484	0.4
105.07031	0.8
107.08591	0.3
109.07623	0.2
110.07118	0.3
112.08719	0.8
115.05507	0.4
117.07006	0.3
119.08600	1.0
120.08194	0.3
128.06186	0.4
130.08633	4.2
131.08556	0.4
132.10202	34.7
133.10439	0.4
134.06024	0.3
143.08533	0.5
143.11795	17.8
145.10143	0.5
147.11662	0.7
156.09326	0.9
161.05960	0.5
161.09569	0.5
162.05478	0.5
171.11565	0.8
172.10786	1.3
174.10425	0.4
189.05431	0.8
189.06842	0.4
189.12556	1.6
189.13480	1.0
189.15996	0.3
190.04935	0.5
190.08604	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	189.1234
Annotation	Ile Gly
Peak:m/z	Relative Intensity
51.17553	0.2
55.05497	0.8
56.05013	0.3
60.05624	0.3
61.01108	0.2
64.39720	0.2
67.66615	0.2
69.07053	0.9
70.06581	1.1
70.66720	0.9
72.08151	6.8
84.08141	1.2
86.00974	0.2
86.09703	100.0
87.10030	1.5
99.72306	0.2
130.08585	0.5
161.05986	0.3
171.11598	0.3
189.12369	2.0
189.16196	0.3
202.08038	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	1.1
55.05495	2.1
57.35553	1.0
67.05475	2.0
69.03413	4.8
69.07058	2.9
69.74184	6.9
70.06596	5.7
76.23086	1.2
79.05482	2.4
81.07053	1.5
82.34987	1.1
84.08129	1.0
85.02901	1.4
86.09702	10.9
91.05465	8.0
93.07063	1.6
95.04974	1.5
95.08567	1.3
105.07028	17.2
107.04951	1.3
107.08575	2.6
109.06473	1.5
115.05399	2.4
116.06253	1.0
117.07046	6.4
119.04958	1.3
119.08577	22.4
121.10143	1.2
128.06215	5.1
129.06996	7.1
130.07806	5.6
130.08601	1.6
131.08548	7.4
132.10179	1.4
133.06479	3.0
133.10103	5.7
141.06995	11.6
142.07704	1.4
143.08566	8.1
144.09370	1.8
145.06471	1.8
145.10114	25.4
146.10861	1.3
147.04413	5.1
147.08047	8.7
147.11685	14.0
147.34978	1.3
153.06918	1.2
155.08519	3.4
156.09335	68.9
157.09738	2.4
159.08038	8.7
159.11676	15.5
160.08810	1.9
161.05960	2.5
161.09592	3.5
161.13231	3.3
171.11684	77.9
172.12000	2.9
174.10381	10.9
189.05450	2.2
189.09135	7.3
189.12730	100.0
190.04933	1.4
190.13116	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	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01874	1.0
55.05495	2.2
57.03427	3.3
57.48448	0.9
65.03917	0.8
67.05503	2.0
68.99789	3.8
69.03434	1.2
69.43333	6.6
70.06587	1.6
79.05480	2.9
81.07050	2.4
83.40484	0.7
83.75978	0.7
85.02386	0.8
85.02903	23.7
87.00839	6.8
91.05482	27.6
93.07039	2.1
95.04994	1.1
95.08633	2.0
103.03962	0.9
103.05452	3.0
104.06242	0.8
105.01884	0.8
105.03397	3.8
105.07029	14.4
107.04953	7.8
107.08630	1.4
109.10125	1.4
111.00811	1.2
115.05446	3.0
116.06274	1.7
117.07013	1.6
118.04167	7.5
119.04959	9.2
119.08569	8.2
121.06512	13.1
121.10127	0.9
126.83826	0.8
128.06215	19.0
128.83649	0.8
129.07007	46.9
130.07825	1.8
131.04922	7.4
131.08557	7.6
132.05695	1.1
133.02849	10.9
133.06503	4.9
133.10124	8.2
142.03687	0.7
143.08566	2.0
144.05659	3.5
145.06508	5.3
145.10129	2.0
146.03658	1.7
146.06143	1.5
146.07259	14.8
147.04388	3.5
147.08037	5.1
147.10657	0.9
147.11649	4.6
148.05188	100.0
149.05530	2.6
154.41972	0.8
155.06013	2.2
156.09354	3.2
157.06487	25.4
158.07172	1.6
159.08028	3.0
160.05171	1.2
160.08836	1.2
161.05986	33.7
161.09610	41.2
161.13272	2.2
162.09929	1.1
171.08047	1.0
171.11682	3.8
174.06772	18.4
174.10327	1.3
175.03899	1.3
189.03813	1.3
189.05342	3.7
189.09109	45.2
189.12634	7.7
189.16385	5.6
190.06224	4.7
190.09259	1.0
202.87965	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	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.62584	0.2
51.69117	0.2
57.00661	0.2
63.79631	0.2
71.17772	0.5
91.05471	2.9
103.05510	0.4
115.05457	4.5
117.05760	1.0
117.07019	3.6
118.06540	50.2
119.06860	0.7
132.08061	0.6
141.00096	0.2
142.06528	4.7
143.07301	9.3
144.04449	0.9
144.08086	22.4
145.06447	0.6
145.08374	0.5
146.06006	100.0
147.06366	2.4
154.72551	0.2
155.06047	0.5
155.53806	0.2
160.07593	1.2
170.06020	7.1
188.07065	20.8
189.07355	0.9
194.47202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98133	0.4
60.25306	0.4
70.56026	1.6
74.65610	0.4
83.29640	0.5
91.05472	7.5
103.05449	0.8
115.05452	9.6
117.05779	2.2
117.07013	5.0
118.06538	100.0
119.06870	1.9
128.04929	0.6
132.08049	0.6
133.20601	0.4
142.06531	8.1
143.07303	17.5
144.04451	0.8
144.08083	23.9
145.06471	1.0
145.08427	0.5
146.06006	94.4
147.06381	2.3
155.06030	1.0
160.07608	0.9
170.06003	8.9
188.07063	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	188.0918
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
53.03928	3.0
54.03473	1.4
55.01867	8.3
55.05509	9.9
56.05037	13.7
56.96548	3.5
57.03434	1.9
58.06605	11.6
59.04982	1.5
59.06105	2.7
60.04232	1.3
60.04524	21.1
60.05650	7.5
60.08143	1.8
61.01148	1.4
61.02909	2.0
64.99465	1.3
65.03918	4.0
67.05498	18.1
68.05029	11.0
68.99778	4.8
69.03418	4.8
69.05814	1.5
69.07063	11.7
70.02951	4.8
70.06588	34.7
70.79706	3.9
70.95835	1.4
71.01333	5.8
71.04960	4.0
71.06911	2.7
72.04515	7.7
72.08150	34.9
72.93775	1.6
73.02895	4.3
73.08475	1.8
74.02424	3.0
74.06077	6.3
79.05489	50.1
80.05016	6.2
80.05778	1.2
81.03411	13.2
81.07052	14.6
82.06132	1.8
82.06581	23.3
83.01312	1.5
83.04977	19.5
84.04500	40.7
84.08138	100.0
85.02906	9.7
85.04007	3.0
85.06526	2.5
85.08458	4.1
86.06037	3.7
86.09705	32.7
86.30128	1.4
87.04443	5.2
87.05592	2.6
87.10027	1.7
88.04002	9.2
90.94803	2.0
91.05490	8.5
93.03395	1.4
93.07015	3.1
94.06551	4.3
95.04961	43.1
96.04485	3.5
96.08134	7.5
97.02882	10.6
97.06527	15.6
98.02415	2.8
98.06046	9.4
99.04467	8.9
100.03970	2.3
100.07621	15.1
101.02348	2.7
101.05997	2.0
101.50895	1.4
102.05528	4.4
102.09165	1.4
103.05461	3.7
105.03432	1.3
105.04481	1.4
105.07005	3.3
106.06548	20.6
107.04945	44.2
108.04483	2.1
108.08072	2.5
109.02881	11.2
109.05207	1.3
109.06496	6.1
110.02367	6.8
110.06058	9.2
110.07130	3.2
111.00841	2.1
111.04453	7.5
112.07576	3.5
112.08708	4.9
112.11239	7.7
113.05975	6.4
113.07115	2.0
113.10769	3.2
114.05521	11.1
114.09161	21.3
115.05428	3.9
115.08672	1.3
116.07070	5.9
116.98617	1.6
117.05688	2.2
118.06509	5.1
119.04893	3.7
120.05701	2.5
120.08098	5.0
121.05132	1.2
121.06536	2.4
122.06024	2.2
123.04420	40.3
123.05328	1.9
124.03939	2.9
124.05215	23.4
124.07587	33.1
124.11189	3.0
125.02301	1.7
125.05982	45.1
126.05476	4.7
126.09160	6.5
127.03899	2.2
128.06226	3.1
128.07071	15.3
129.05481	2.5
129.06509	1.6
129.10216	12.3
130.06503	1.8
130.08632	24.0
130.10637	1.6
131.11731	1.6
132.04442	3.3
132.08067	2.9
133.06494	3.6
134.06023	14.2
134.07013	2.3
135.04407	37.6
136.05196	21.4
137.05983	23.7
140.07062	1.8
141.04497	1.9
141.05475	15.1
141.10181	5.8
142.04993	21.0
142.06161	2.0
142.06516	1.6
142.08643	15.4
142.10590	3.0
142.12248	5.3
143.11784	2.3
144.08072	1.6
144.10204	2.4
146.05968	6.0
146.08163	6.3
147.11273	8.5
148.07481	2.0
150.05675	1.3
150.96902	2.0
152.07060	51.5
153.05458	85.2
154.08574	1.3
156.07677	1.8
157.01317	1.8
158.09215	1.8
159.06509	3.1
159.09125	1.5
160.04123	1.3
160.07545	7.4
160.09700	2.9
161.05922	2.8
161.07118	3.0
161.08334	1.8
162.05527	3.2
170.04445	4.6
170.05952	2.9
170.08118	47.0
171.03017	1.4
171.06595	6.6
171.14917	18.7
174.07936	2.2
175.11916	5.0
187.08650	4.6
188.03539	4.0
188.05519	2.2
188.07091	13.1
188.09178	66.9
188.10835	5.5
188.12784	5.0
188.17574	15.6
189.06697	4.5
189.10233	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	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03944	0.8
55.05503	2.6
56.05049	0.9
56.06854	0.7
56.96547	1.1
57.07073	5.7
65.03934	0.8
67.04336	0.7
67.05506	10.0
69.03422	2.6
69.07070	3.5
71.04986	0.7
71.51989	1.5
77.41373	0.7
79.05488	7.1
81.03420	4.4
81.07052	6.4
83.04974	0.9
83.08601	2.0
84.04501	2.6
85.02883	1.7
88.02227	4.5
91.05473	27.2
93.07041	7.9
95.04956	1.0
95.08596	5.7
103.05449	1.2
104.04113	0.7
105.07029	23.2
107.08573	4.3
109.02854	0.9
115.05437	2.3
116.06264	1.7
117.07011	24.8
119.08579	21.0
119.09225	0.5
121.10139	4.4
126.05499	0.7
127.03920	1.5
128.06212	1.4
129.07005	4.5
130.07803	4.3
131.04831	1.6
131.08562	68.5
132.08870	1.8
133.10138	4.8
136.06036	0.7
142.08640	1.3
143.08519	4.4
144.09285	2.3
145.10117	99.5
146.08157	1.1
146.10545	2.5
157.10094	1.7
158.10782	0.8
159.08054	1.5
159.11687	16.3
172.12419	1.1
173.00861	1.5
185.13333	1.1
187.06122	0.9
187.07558	1.4
187.11340	4.2
187.14809	100.0
188.03296	0.7
188.06956	1.1
188.09215	0.9
188.15169	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	187.1479
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03944	1.1
55.05507	2.4
56.05021	0.6
57.07075	3.4
58.60205	0.6
58.67915	0.6
65.82758	0.6
66.67970	0.8
67.05499	11.3
69.03419	2.2
69.07072	4.4
70.14583	2.2
70.14989	1.1
79.05495	7.9
81.03409	4.5
81.07054	6.8
83.08620	1.7
84.04510	1.7
85.02904	1.2
88.02219	2.7
91.04904	1.4
91.05476	23.9
93.07040	7.4
95.05017	1.2
95.08600	3.8
97.02881	0.9
98.21442	0.7
99.04411	0.8
100.07639	0.7
105.07027	24.1
107.08581	3.4
109.02882	0.9
115.05453	2.1
116.06228	1.3
117.07009	22.6
119.08571	16.8
119.09383	1.2
121.10165	2.6
126.05517	0.8
127.03857	1.6
128.06227	0.8
129.06985	5.6
129.75195	0.8
130.07774	3.6
131.08562	63.8
132.08884	1.3
133.10123	5.4
141.06955	1.2
142.08649	1.0
143.08588	4.3
144.09349	3.2
145.10114	100.0
146.08128	1.1
146.10524	2.2
157.10141	2.3
158.10861	1.6
159.08014	1.1
159.11691	14.7
169.10236	1.1
172.12495	1.3
173.00822	1.4
185.13216	1.3
187.03806	0.9
187.07552	1.6
187.11237	5.6
187.14807	97.0
188.09172	1.5
188.15147	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	186.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
55.01872	10.6
55.05511	9.2
56.05022	9.9
57.03433	3.0
58.06593	3.2
60.04515	1.5
60.05629	1.3
60.94519	1.4
65.03934	6.5
66.04713	1.8
67.05500	31.7
68.05023	8.3
68.99789	3.0
69.03428	12.1
69.07059	5.2
70.02946	2.0
70.06593	19.7
71.01339	5.0
71.04980	5.5
71.49995	2.0
72.04491	3.7
72.08152	10.8
72.74245	1.4
72.93783	1.7
74.02413	1.9
79.05486	15.3
80.05008	8.0
81.03427	8.6
82.06573	11.6
83.04976	17.1
83.06098	3.7
84.04508	22.2
84.08140	37.1
85.02885	9.0
85.06516	2.5
86.06037	1.7
86.09693	11.7
91.05444	2.3
92.07870	2.0
93.03407	3.5
94.06565	29.5
95.04964	71.0
95.07355	2.6
96.04482	11.7
96.08131	9.6
96.88897	1.4
97.02888	17.5
97.06528	5.2
97.08932	2.0
98.02392	2.1
98.06041	20.6
99.00745	1.7
99.04443	2.0
104.05003	2.1
105.03395	3.1
105.07017	2.8
106.06565	3.1
107.04936	4.5
108.04488	5.6
109.02885	4.7
109.06494	2.3
110.06042	7.0
110.07146	5.0
111.04435	14.6
111.06823	4.4
112.07615	12.0
113.06001	5.1
114.05544	8.9
115.03909	3.2
116.07079	2.7
119.01904	2.0
121.01665	6.5
121.02894	2.9
121.06490	17.7
122.06022	36.8
122.06907	2.0
123.04420	74.7
124.05224	3.1
124.07593	6.7
125.02353	2.7
125.05968	5.2
126.05515	30.5
126.09081	2.5
127.03881	2.6
127.08698	2.8
128.07072	3.8
129.10217	9.3
130.06535	4.6
130.08601	4.1
132.04448	2.9
133.02843	17.4
136.05141	3.5
136.06140	3.2
137.05954	6.6
138.05487	6.7
139.02824	3.9
139.03900	50.7
140.04675	17.6
140.07050	33.1
140.10692	3.0
141.05463	32.8
141.06544	2.7
141.10234	4.7
142.08586	3.1
144.06578	2.1
147.61185	3.2
149.97192	2.3
150.05484	16.0
150.09152	5.0
151.02097	5.9
151.03902	26.5
151.07530	3.4
152.04678	16.8
152.05746	2.4
152.07082	6.1
153.07762	1.9
155.05893	7.3
156.07664	1.8
157.05031	7.4
158.06015	2.0
158.08150	2.9
168.06549	45.1
168.10240	2.9
169.03352	3.2
169.04958	100.0
169.09700	3.9
173.00827	3.3
183.14877	2.0
186.05281	35.0
186.07613	39.0
186.08987	1.7
186.11145	8.9
187.08698	2.3
187.10834	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	186.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01859	7.0
55.05503	7.0
56.05028	9.3
56.96550	4.4
57.03399	2.1
58.06597	6.1
60.04525	2.1
60.08156	1.6
63.62897	1.3
63.91919	1.4
65.03927	4.3
67.05501	26.2
68.05026	7.4
68.99790	4.2
69.03426	8.6
69.07056	5.3
69.45841	12.9
70.02940	2.1
70.06590	22.5
71.01345	3.3
71.04964	3.4
72.04529	1.9
72.08151	9.5
78.10795	1.6
79.05490	10.9
80.05021	6.4
81.03410	5.9
81.07073	3.7
82.06584	9.3
83.04975	13.2
83.06106	2.5
84.04497	30.0
84.08140	58.9
85.02901	9.3
85.06541	3.7
85.08475	2.3
86.06074	2.6
86.09702	19.1
87.10024	2.1
91.05486	2.5
92.07873	3.1
94.04150	2.0
94.06561	12.0
95.04961	44.7
96.04476	8.7
96.08121	5.2
97.02877	11.5
97.06528	3.6
97.08902	2.0
98.06039	11.5
98.09711	1.7
99.04449	3.1
104.04980	2.0
105.03371	4.3
105.07031	1.6
107.04977	2.9
108.04469	4.6
109.02901	3.3
109.06483	2.2
110.06017	2.3
110.07156	8.6
111.04443	12.9
111.06806	1.6
111.07468	2.2
111.09178	2.7
112.07604	13.2
113.05992	4.6
114.05547	15.1
115.03906	2.1
116.07076	3.4
121.01674	4.4
121.06518	5.9
122.06033	24.3
123.04424	53.3
123.05331	2.7
124.03948	1.8
124.05165	2.3
124.07581	6.8
125.02354	1.7
125.06001	3.2
125.06968	1.8
126.05518	29.4
126.09184	2.0
127.08612	2.0
128.07031	2.6
129.06587	2.4
129.10243	16.3
130.05096	2.0
130.08646	4.4
132.04448	2.1
133.02823	10.8
136.06171	3.1
137.05959	7.9
138.05484	2.8
139.02815	2.9
139.03897	27.8
140.04707	10.2
140.07051	27.0
140.10724	2.5
141.05458	24.1
144.06570	3.8
147.11234	2.9
147.61250	5.5
150.05492	10.7
150.09143	4.2
151.02150	3.0
151.03882	18.1
152.04684	10.4
152.07100	7.3
153.03094	1.6
155.05905	5.6
156.07648	3.4
157.04938	4.3
158.06055	1.8
158.08144	2.2
168.06549	29.0
168.10194	3.7
169.04959	60.8
169.06401	3.5
169.09674	3.5
170.99829	1.9
173.00807	2.6
181.03024	2.7
186.05276	100.0
186.07617	26.3
186.09109	3.4
186.11092	8.0
187.05676	1.7
187.08714	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	185.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95973	23.0
70.06670	100.0
70.11028	23.8
98.25549	25.5
102.39887	27.2
105.11286	23.4
114.84252	26.3
118.15789	22.4
127.77304	25.5
165.42564	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	185.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69131	12.8
50.73339	10.8
53.87642	11.4
67.55280	11.6
69.46443	100.0
69.46849	18.8
72.08155	11.1
86.09710	38.5
112.99918	13.1
138.06270	16.2
147.16425	12.3
155.53276	11.6
160.46991	12.2
185.07686	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	185.1171
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.03942	1.2
55.01863	2.3
55.05512	7.6
56.96561	0.5
57.03433	1.2
57.07072	1.1
58.06602	0.5
59.05001	0.8
59.06112	0.5
65.03951	0.5
67.05502	17.2
69.03439	2.1
69.07066	100.0
69.17828	3.7
69.18255	1.6
70.06599	1.3
70.07407	1.5
71.04992	28.9
72.08157	1.7
73.06549	14.3
79.05486	23.2
80.04989	0.4
80.05832	0.5
81.03413	3.2
81.07051	53.1
82.07379	0.9
83.04969	2.9
84.04491	1.1
84.08153	1.0
85.02898	1.3
85.06538	1.9
85.37167	0.4
86.09693	3.6
87.04463	8.0
89.03931	0.9
91.05488	2.1
93.07039	19.9
95.04966	1.3
95.07993	0.8
95.08601	15.0
97.06527	27.4
97.93426	0.5
98.06052	0.4
98.97546	0.5
99.04472	0.5
99.08089	4.1
101.06020	2.7
105.07039	1.3
107.08585	5.8
109.06554	0.5
109.10165	0.7
111.04458	1.2
111.08064	0.4
112.07590	0.7
113.06012	0.6
114.05524	1.8
115.07569	5.6
117.03381	1.2
121.06511	1.3
121.10137	19.9
123.08062	22.0
123.11678	2.8
124.08449	0.5
125.05978	4.9
126.05499	1.1
129.07040	1.2
131.08553	1.9
137.09596	0.5
139.03879	0.6
139.11168	31.3
140.07082	0.8
140.10660	0.7
142.07788	1.0
143.07027	19.1
143.08527	1.1
144.07533	0.5
145.02821	2.1
149.09625	2.5
153.05508	1.8
157.10158	1.2
158.05974	0.8
161.08099	1.3
167.10670	18.5
168.11143	0.6
170.04370	0.7
170.10884	0.7
181.02892	0.7
185.04611	0.6
185.08177	0.6
185.11743	18.0
185.13225	1.6
186.05524	1.1
186.07652	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	184.0968
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
51.57167	0.2
53.00297	0.3
53.03938	0.3
55.01864	0.3
55.05507	0.9
56.05027	0.3
56.96564	0.5
57.03429	0.6
58.02957	3.0
58.06590	0.6
60.04519	15.8
61.02942	0.3
67.05501	1.4
68.05024	0.5
68.05851	0.3
69.03423	0.7
69.07061	100.0
69.99144	1.3
70.06585	0.9
70.07403	1.4
71.08627	3.5
72.08137	1.2
73.02911	0.4
79.05491	0.6
80.05048	0.2
81.03439	0.4
81.07061	0.5
82.06586	0.5
83.04995	0.3
83.06072	0.2
84.04480	0.6
85.02886	0.6
86.02420	14.8
86.06055	0.8
86.09695	2.5
91.05443	0.4
93.07021	0.5
95.04961	1.9
95.06039	0.3
95.08591	0.5
96.04490	1.6
96.05285	1.5
96.08123	0.9
97.02873	0.5
97.06520	6.1
98.98492	0.3
100.07605	0.8
101.00861	0.5
101.95029	0.6
102.11796	0.2
105.03339	0.2
105.07016	0.3
106.03779	0.4
109.02866	0.3
109.07599	0.4
110.06039	1.3
110.07082	0.3
110.09653	1.0
111.04514	0.3
113.06001	0.4
114.05517	0.3
119.01900	1.0
119.96068	0.3
121.06494	0.3
123.04410	0.6
124.04740	1.3
124.08687	0.2
124.99996	0.7
125.07111	0.3
128.10655	0.4
130.95178	0.2
131.01933	0.5
136.06145	0.4
136.55272	0.4
137.02910	0.3
138.05475	0.7
138.09123	7.1
140.04684	0.2
141.05005	0.5
141.71805	0.2
142.08650	0.3
143.56136	0.2
145.03436	0.7
147.04414	0.3
156.08997	0.5
156.10178	5.3
161.02992	0.3
166.04991	0.3
166.08577	1.5
172.56273	1.4
173.06442	0.6
177.98308	0.3
181.56786	1.3
182.06851	0.4
184.07274	1.1
184.09665	24.8
185.09941	0.7
198.79439	0.2
200.07719	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	184.0968
Annotation	N-Methyl-3,4,5-trihydroxyphenethylamine
Peak:m/z	Relative Intensity
53.03929	1.1
53.84723	0.4
55.01868	1.1
55.05499	1.4
56.05020	0.5
57.03399	0.4
58.06584	1.6
58.45195	0.5
60.04520	0.4
60.08152	1.1
65.03930	1.6
66.04704	0.5
67.05486	1.0
68.05015	1.0
68.99779	1.0
69.03414	0.7
69.07052	0.9
70.06593	2.5
71.07353	0.5
71.11176	0.9
71.94075	0.4
72.08169	2.5
77.03977	0.4
79.05487	7.1
80.05014	0.7
81.04516	0.7
81.07047	1.0
82.06570	1.5
83.04970	1.6
84.04509	0.7
84.08128	1.5
85.02892	0.4
86.09692	7.7
91.05485	2.2
92.04993	1.0
92.05818	0.4
93.03370	0.5
93.07040	0.7
94.06569	1.2
95.04964	2.2
96.04472	1.5
96.08117	1.1
97.06522	1.6
98.06017	0.6
98.98466	1.2
101.00867	1.0
104.10695	0.5
107.04951	26.1
107.26891	0.4
108.05257	0.6
109.02876	1.0
109.06493	0.5
110.06076	3.2
110.07169	3.0
110.09732	0.5
111.04426	1.3
119.01909	3.4
119.04966	1.0
120.04465	2.7
120.08113	2.0
121.02849	1.5
121.06480	1.3
122.06013	0.9
123.04457	2.7
124.03970	1.0
124.07551	0.8
125.00002	3.7
125.06000	3.4
125.06831	0.7
133.01698	0.5
135.04410	16.7
136.07582	0.4
137.02928	1.6
137.05963	5.5
138.05492	3.8
138.09131	1.6
139.03879	3.2
139.08667	0.4
140.06992	0.4
141.05426	1.4
148.03934	2.5
148.07545	1.2
149.02351	4.1
149.05962	1.8
151.04922	0.6
151.06306	1.1
151.09889	0.6
151.37447	0.4
152.04672	3.7
152.06996	0.6
153.05461	100.0
154.05815	2.5
155.03358	0.6
156.06526	1.0
156.07680	1.9
161.02844	1.0
166.04970	5.0
166.08621	6.5
167.03439	3.4
167.05663	0.9
167.07027	11.8
168.03920	0.6
184.06004	2.4
184.07373	4.0
184.09717	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	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05025	1.5
56.07663	0.3
56.70032	0.4
58.06599	0.8
58.89583	0.3
60.08162	19.6
61.08522	0.3
69.34833	3.3
70.06596	0.6
71.07372	10.7
74.11964	0.4
86.09703	100.0
87.10041	1.4
91.39111	0.4
98.98464	17.6
101.95049	1.1
104.10737	4.8
119.96055	0.6
124.99999	79.0
125.92486	0.3
126.00372	0.4
141.61449	0.4
142.08228	0.3
143.00970	0.5
150.97292	0.3
166.02510	0.3
184.07336	94.9
185.07677	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	184.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85192	0.7
56.05033	1.8
58.06606	1.2
59.10521	0.7
60.08163	21.8
69.07068	1.8
69.41525	5.6
70.06591	0.8
71.07372	9.8
71.95270	1.1
84.04510	1.5
86.09703	100.0
87.10039	1.6
93.88585	0.7
95.04941	1.2
95.38101	0.7
96.04504	0.7
96.05293	1.2
98.20707	1.3
98.98463	15.9
101.95023	18.4
104.10715	4.6
105.03387	1.9
106.03718	1.9
110.06067	1.2
110.06837	0.8
113.71989	0.7
119.96076	8.8
124.07567	1.2
124.99997	81.4
134.38141	0.7
137.97104	12.6
138.05473	1.3
138.09077	0.9
142.97610	1.9
143.01031	1.5
155.98102	5.2
157.10120	1.0
160.81720	0.9
160.98672	3.5
166.02649	1.0
178.99756	2.3
184.07346	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.56899	0.3
51.93441	0.4
56.05033	1.7
58.06615	0.6
60.08158	20.5
70.06582	0.5
70.57875	1.3
71.07370	12.7
71.07764	0.6
86.09701	100.0
87.10050	1.1
87.91635	0.4
98.98462	17.8
104.10743	4.4
116.07780	0.3
124.99995	83.3
126.00311	0.4
143.01013	0.9
152.81406	0.3
184.07329	92.3
185.07668	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	184.073
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.96910	0.4
56.05030	1.2
57.84175	0.4
58.06594	1.1
60.08163	20.6
70.06589	0.4
70.41201	0.7
70.41594	0.8
71.07368	10.5
86.09703	100.0
87.10037	1.8
98.98463	18.1
101.95033	0.5
104.10741	4.9
116.99455	0.5
124.99998	79.4
143.01059	1.0
156.95518	0.4
166.02650	0.6
184.07335	92.9
185.07651	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	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88594	0.3
53.32394	0.3
64.20406	0.4
70.08446	1.7
70.08740	0.4
70.42228	0.4
82.99838	1.1
93.51260	0.3
93.52827	0.4
100.02491	0.5
101.00871	19.4
102.00971	1.2
118.03456	0.7
119.01910	100.0
120.01997	4.3
124.02421	1.5
137.02942	38.7
138.03064	1.1
142.03485	25.7
143.03661	3.0
144.03210	0.4
158.06630	0.8
160.03224	0.5
160.04536	8.7
161.02953	8.8
161.04727	2.5
165.05067	0.8
178.05710	0.5
179.04001	14.2
179.05569	0.9
184.04556	1.2
202.05585	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	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02379	0.8
53.03944	12.0
55.01870	3.6
55.05510	0.9
56.05035	0.7
56.96555	0.7
58.06583	0.4
59.06113	2.1
65.03935	5.7
67.05499	9.6
67.05839	0.7
68.05025	0.5
69.07069	0.8
69.99091	1.6
70.06570	1.7
71.05003	0.6
72.08144	1.1
77.03928	1.8
79.05495	1.1
81.03421	2.2
81.04567	0.5
81.07054	1.2
82.06564	0.5
83.04973	0.6
83.06091	1.0
84.04490	1.0
84.08143	1.0
85.02917	0.6
85.06560	0.5
85.07663	0.5
86.09720	0.7
91.05478	1.5
93.03393	0.9
93.07034	0.5
95.04962	100.0
95.08609	1.2
95.98441	0.4
96.05285	1.5
96.08113	0.4
97.02875	0.9
97.07645	1.1
98.06118	0.4
98.20829	0.5
98.98476	4.1
99.04449	0.7
99.05573	0.8
101.07133	0.5
101.95032	0.9
105.03400	6.5
105.04498	5.8
105.07031	0.5
109.02841	0.5
109.06519	0.8
109.07671	0.9
109.10162	0.7
109.60315	0.3
110.07113	0.5
111.04462	1.4
112.08698	0.5
116.82833	0.3
117.80639	0.4
119.01915	0.6
119.04974	0.6
119.08587	1.2
119.96120	0.6
121.03953	0.7
122.07204	0.6
123.04423	81.5
123.08012	1.7
124.04807	1.5
124.07595	2.6
124.08701	1.4
125.02345	5.4
125.06062	0.7
125.07103	1.9
125.09602	0.7
126.25529	0.3
127.01556	0.8
127.07534	0.7
127.08681	0.3
133.02858	1.0
137.05975	1.2
137.07913	1.0
137.09595	1.0
138.06546	0.4
138.09119	1.1
139.03836	0.4
139.07544	0.4
140.04675	32.2
140.08176	0.7
141.05191	0.6
141.06865	0.7
147.04457	0.5
148.08687	0.4
151.03934	0.6
155.07025	19.4
156.07378	0.4
165.05460	0.9
165.09167	1.0
166.08553	0.8
166.09767	1.2
183.06564	5.3
183.08026	1.0
183.10014	0.4
183.11409	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	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
50.58025	0.4
52.92938	0.6
53.03943	1.2
53.47689	0.5
55.01864	1.1
55.05511	9.6
56.96574	0.7
57.03439	2.0
57.07067	3.8
58.02960	37.7
60.60934	0.5
61.09793	0.4
65.03933	0.6
67.05506	24.4
68.05843	0.9
69.03417	0.8
69.07067	70.6
70.02782	1.5
70.03193	0.9
70.06585	3.1
70.07396	1.4
71.05011	0.7
71.08622	0.4
72.08157	0.7
74.06076	1.5
79.05492	7.7
79.05920	0.7
81.07056	23.8
82.06566	0.8
83.04972	1.7
83.08620	8.4
84.08146	10.1
85.06537	0.8
86.06078	1.0
91.05475	5.5
93.07042	11.7
95.04967	5.1
95.08601	7.3
97.06527	6.0
98.06068	2.9
98.09692	2.4
98.97582	1.9
98.98479	1.6
99.97908	1.0
100.07623	6.9
105.03404	2.8
105.07028	15.2
107.08590	20.6
108.08906	1.1
109.06510	3.1
109.10153	52.6
110.10481	1.0
111.08062	1.2
112.07632	2.3
114.09163	13.9
116.98633	1.6
119.08563	2.0
120.61331	0.4
121.10107	2.8
123.04414	1.2
123.08047	1.1
123.11700	9.6
125.13276	0.7
126.09152	14.4
126.12782	2.0
128.10712	0.7
133.10124	32.0
134.10466	0.9
134.99686	1.3
135.11687	22.7
135.12732	1.1
135.99988	0.6
136.07590	0.6
136.12074	0.6
137.05981	0.7
137.13242	1.1
138.12772	22.7
139.13116	0.8
140.04555	0.5
140.10730	1.6
140.14342	1.5
147.11682	5.1
151.11172	11.7
153.12741	14.9
154.04967	0.5
154.13182	0.6
154.15880	1.5
155.06976	0.6
164.11499	0.6
164.14342	2.9
165.12755	2.4
182.00987	0.6
182.04491	0.7
182.08131	1.0
182.15398	100.0
183.15744	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	182.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01881	0.3
55.95085	0.2
57.57570	0.2
64.71890	0.2
65.03930	0.9
65.29591	0.2
69.38432	1.3
69.38862	0.7
79.05495	0.9
80.05008	0.4
84.08132	0.6
85.02877	0.2
91.05479	45.3
92.05824	1.2
93.06991	0.4
94.06577	0.5
95.04966	8.0
98.98464	0.3
103.05420	0.3
105.03420	0.5
105.07011	0.3
107.04939	0.7
108.04506	0.4
108.05766	0.4
108.08105	0.4
109.06541	0.5
109.07705	0.2
118.06549	0.6
119.04942	37.0
120.05277	1.0
122.06011	0.5
123.04429	3.9
123.08028	1.2
132.04466	0.3
136.05237	5.0
136.07573	20.3
137.06000	2.9
137.07939	0.7
142.82759	0.3
147.04379	1.0
150.05498	1.3
151.07539	100.0
152.07889	2.8
154.04961	0.4
164.07057	0.7
165.05504	1.5
182.04401	0.7
182.08073	2.0
182.11723	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	182.0811
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
52.22296	0.8
53.03946	5.0
54.03460	1.3
55.01867	1.8
55.05501	5.1
56.05019	2.6
56.96548	1.9
58.02953	1.7
58.06592	1.6
59.06115	1.6
65.03928	5.1
66.04678	1.0
67.05502	20.3
68.05015	1.9
69.03399	1.8
69.07054	4.8
70.02927	1.5
70.06573	2.3
70.78941	1.2
70.79285	1.8
72.08147	0.8
77.03901	1.0
79.05489	28.8
80.05001	4.1
80.05813	1.1
81.03382	3.6
81.07050	37.7
81.53092	0.8
82.06569	3.0
82.24905	0.7
83.06088	2.8
83.08591	2.8
84.04501	0.9
84.08128	2.8
86.02433	5.0
86.06054	1.3
88.12333	0.8
89.03890	1.0
90.04255	1.5
91.05473	12.3
91.34389	1.0
92.03709	0.9
92.04977	1.3
92.05785	1.4
93.05791	6.2
93.07028	2.1
94.06560	4.8
94.07387	1.4
95.04967	23.2
95.06006	1.2
95.08602	1.9
96.04453	2.7
96.08118	1.6
97.02890	1.9
97.05217	1.3
97.06526	9.2
98.06059	5.8
98.07175	2.2
98.09671	3.7
98.97546	1.5
98.98470	4.3
99.04444	1.0
99.05555	1.5
105.03395	4.8
106.06556	1.0
107.04904	0.8
107.07353	4.7
108.04510	4.3
108.05170	1.2
108.08113	56.7
109.02864	1.6
109.06496	8.4
109.07622	1.5
110.06042	5.4
111.05524	1.0
112.07586	0.9
112.67248	1.0
116.98586	1.8
118.03674	2.1
118.06508	3.7
119.04924	4.4
120.04455	1.5
121.05222	3.5
122.06000	6.3
122.06916	2.2
123.04409	13.7
123.05501	3.0
123.08040	1.3
124.04009	1.1
124.07584	2.3
125.05988	29.3
125.07024	1.5
126.05511	30.6
126.09148	18.9
133.02817	1.4
134.06001	1.1
134.99654	1.7
136.04810	4.0
136.07570	100.0
137.05998	8.7
137.07993	1.9
138.05463	3.0
138.06415	1.5
138.09174	1.8
139.03873	0.9
139.06206	1.3
139.09747	1.8
140.03334	1.2
140.04590	3.6
140.07018	2.9
140.08159	7.3
141.05431	1.7
141.06500	1.5
146.03166	3.2
147.04420	1.7
151.03912	2.1
151.07568	4.6
152.07014	1.9
153.05470	1.9
153.07840	3.2
154.04948	2.8
154.07379	1.7
154.08609	24.7
155.07056	2.3
155.08813	0.9
164.04269	10.7
164.07056	81.1
165.05417	2.8
165.07538	1.3
166.98573	1.6
167.07051	1.1
168.03941	1.0
182.00922	2.8
182.04388	5.1
182.08105	80.3
182.15373	1.5
182.19078	1.1
183.06508	2.1
183.08318	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	182.0811
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03930	3.7
55.01871	14.8
65.03927	2.3
67.05485	2.6
70.39325	4.1
70.39719	6.2
77.53134	2.1
79.05486	12.9
82.06558	2.3
82.47281	1.9
91.05478	37.6
94.06541	13.3
95.04955	18.8
96.73241	2.1
104.04967	2.4
105.03365	3.1
107.04946	10.2
108.08122	3.5
110.06016	2.6
111.04408	2.8
118.06554	2.3
119.04927	36.0
121.06522	4.6
122.05994	3.5
123.03580	4.0
123.04421	53.4
123.34934	2.1
125.05971	6.0
131.01918	7.7
132.04440	8.9
133.02821	6.5
135.04398	2.7
136.07573	100.0
137.05948	4.6
145.37161	2.3
146.05949	2.2
147.04402	18.3
149.02916	2.3
150.05498	3.4
151.03897	8.7
151.07542	5.2
152.07063	2.4
153.05435	5.6
154.03511	3.6
154.08545	2.5
164.07039	10.1
165.05449	26.3
167.05756	5.9
182.08142	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	182.0811
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02384	0.1
53.03939	1.6
55.01867	0.2
55.05490	0.2
63.54586	0.1
65.03941	0.5
67.05499	0.7
68.05021	0.1
69.93784	0.4
69.94200	0.3
70.02958	0.2
70.06592	0.1
72.04534	0.1
77.03944	0.5
78.04719	0.1
79.05484	0.9
79.56859	0.1
80.05022	0.4
81.03419	0.3
81.07059	0.5
83.04972	0.2
91.05475	4.4
93.05787	0.8
93.07040	3.6
94.06567	0.4
94.07346	0.2
95.04964	4.5
95.08593	0.1
97.02813	0.1
98.06065	0.1
98.98501	0.1
105.03381	0.4
105.04527	0.7
108.04472	0.5
108.08114	2.5
108.08783	0.1
109.06561	0.1
111.04444	0.1
116.98610	0.2
119.04919	0.3
122.06015	0.9
122.06813	0.2
123.04418	2.1
123.05484	0.2
125.02344	0.2
125.06019	0.2
126.05508	2.2
126.06348	0.2
126.80456	0.1
134.99664	0.2
136.07571	100.0
137.06049	0.2
137.07919	1.9
140.04694	0.7
140.07053	3.3
140.08165	0.7
154.05016	0.2
154.08594	0.3
155.06998	0.3
164.07059	49.2
165.05797	0.1
165.06065	0.1
165.07387	1.1
166.08664	0.1
167.07059	0.3
182.00998	0.2
182.04446	0.3
182.08061	0.8
182.09322	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
54.18490	0.6
55.01855	2.7
56.05016	1.2
57.67571	0.6
58.02925	0.9
58.06587	0.9
65.03924	1.3
67.05502	0.9
69.03411	0.8
69.74995	3.7
79.05471	4.7
81.03415	1.4
81.07051	1.1
82.06573	0.8
91.05476	46.8
92.05806	1.2
93.07026	1.1
94.06579	3.8
95.04958	19.4
98.98442	0.6
103.05513	1.2
104.04937	0.7
105.03376	2.0
105.07037	1.4
106.06571	1.1
107.04948	9.7
108.04469	0.8
108.08099	2.3
109.06520	1.8
111.04428	0.9
118.06524	3.0
119.04936	49.5
120.05292	0.9
120.08071	0.8
121.06477	1.9
122.06008	1.8
123.04424	57.4
124.04787	1.4
125.05968	1.1
131.01906	1.5
132.04446	2.4
133.02843	4.9
133.06459	2.0
134.06021	1.6
135.04385	4.2
136.07570	100.0
137.05981	5.6
137.07913	2.3
138.09158	1.6
140.07066	1.1
143.49101	0.7
146.06021	3.9
147.04391	18.6
150.05457	1.1
151.03899	3.0
151.07532	35.0
152.07007	4.2
152.10722	0.8
153.05461	3.5
154.04997	2.1
154.08604	1.6
160.74931	0.7
164.07057	6.3
164.10669	0.9
165.05466	28.4
165.07632	1.2
167.05605	0.9
182.02899	0.7
182.04498	1.8
182.08105	16.6
182.11792	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	182.0812
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
51.02377	0.3
53.03951	0.7
56.05034	0.3
65.03924	1.3
67.05506	0.6
70.04459	1.3
70.06594	0.6
73.82111	0.3
74.02447	0.9
77.03963	0.3
77.33258	0.3
78.61543	0.3
79.05505	1.1
80.05000	0.4
81.03401	0.5
81.07060	0.6
84.08133	0.4
91.05476	58.1
92.05815	1.3
93.03345	0.3
93.07034	0.4
94.06542	1.0
94.07359	0.4
94.19189	0.3
94.61244	0.3
95.04374	0.6
95.04966	9.2
95.08614	0.3
98.06065	0.3
98.98463	0.4
103.05455	1.3
105.03414	0.4
107.04942	1.1
108.05726	0.3
108.08117	0.8
109.06552	2.3
118.06532	2.3
119.04934	56.0
120.05284	0.9
120.08089	0.3
121.06502	1.0
122.06014	0.9
122.06827	0.7
123.04424	13.3
123.08083	0.6
132.04402	0.6
135.56976	0.6
136.05394	3.5
136.07570	100.0
137.04996	0.4
137.05975	2.8
137.06876	0.4
137.07932	2.1
147.04407	5.2
150.05508	1.2
151.07533	76.8
152.07974	0.5
154.04971	1.3
154.08617	0.4
164.07021	2.0
165.05473	8.1
167.05733	0.7
182.04436	1.0
182.08034	6.1
182.11737	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03987	2.0
55.01664	0.6
55.01895	1.6
55.05511	3.2
56.96609	2.8
57.03468	1.2
57.06803	1.5
57.07074	23.9
59.05048	2.6
59.06155	1.5
60.18670	0.6
65.03989	1.7
67.05495	3.5
68.05050	0.8
69.03476	2.0
69.07056	4.7
71.05042	0.9
77.03964	0.8
79.05492	10.8
81.03417	6.6
81.04562	0.7
81.07056	7.0
83.04980	46.6
83.86887	0.6
84.05364	0.7
84.08175	1.1
85.02937	0.8
89.03940	1.4
91.05476	7.9
93.03461	0.8
93.07043	13.3
95.04968	17.7
95.08083	0.6
95.08656	2.1
96.05325	0.8
96.08160	0.6
97.02911	0.7
97.06533	27.6
98.97584	11.0
103.05524	2.6
105.04545	0.7
105.07029	6.4
107.04974	4.7
107.08598	11.5
108.08155	0.6
109.06536	1.8
109.07687	1.2
110.03627	0.7
110.07172	0.8
111.04491	2.1
111.08076	1.1
116.98628	11.2
117.03394	1.0
117.07067	2.7
119.04984	1.3
119.08585	3.4
121.02890	0.8
121.06505	7.2
121.10149	16.3
122.07124	1.4
123.05571	1.2
123.08095	1.3
125.05993	68.1
126.06318	1.5
130.07808	3.6
134.99660	10.7
135.04417	3.8
135.08052	2.8
135.11678	9.7
136.07631	1.1
136.08696	0.8
137.06010	2.3
139.03920	1.2
139.07529	1.1
140.08202	1.5
143.08594	1.1
145.02890	1.2
145.10123	12.2
148.05205	0.8
149.06027	2.9
151.03960	1.1
153.00757	1.9
153.05402	1.5
153.07390	1.0
155.61568	0.6
158.01256	1.0
163.03923	8.6
163.11182	100.0
164.07037	1.0
164.08212	0.7
164.11548	3.1
166.06212	0.9
177.78186	0.6
181.04993	6.1
181.06583	1.8
181.08653	4.1
181.10666	2.5
181.12221	30.5
181.15759	0.9
188.97237	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	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
55.01868	1.2
57.45773	0.6
65.03934	1.3
68.99776	0.6
70.48777	0.6
71.22549	1.2
79.05489	3.4
81.03433	0.7
81.72733	0.5
91.05479	46.0
92.05808	0.9
93.03419	0.8
93.07032	1.2
94.06558	2.3
95.04971	17.6
103.05472	2.4
104.81796	0.6
105.03403	0.7
107.04960	5.0
108.08094	1.3
109.02812	0.7
109.06507	1.6
118.06543	1.7
119.04939	48.2
120.05280	0.6
121.06501	3.6
122.06033	1.3
123.04424	54.3
124.04755	0.9
125.05990	1.8
129.61795	0.6
132.04449	1.7
133.02882	1.8
133.06528	0.6
134.06020	0.8
135.04382	1.6
136.05415	2.8
136.07574	100.0
137.06001	3.6
137.07924	2.3
138.09149	1.4
146.06033	1.8
147.04408	18.4
150.05472	0.7
151.03915	4.8
151.07536	38.5
152.06996	1.3
153.05438	2.4
154.04927	0.8
164.07074	3.0
165.05476	27.0
165.07780	1.3
166.05859	1.0
178.95148	0.6
182.08099	10.4
182.10532	1.3
182.11861	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	181.1221
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03929	2.7
55.01854	1.4
55.05500	8.9
56.96563	17.5
57.03433	1.6
57.07085	6.1
67.05504	10.2
67.85184	1.0
69.03404	2.7
69.07050	5.0
69.29814	4.8
69.30255	5.3
71.04977	3.3
71.95243	3.5
72.52341	1.1
74.07005	1.0
76.16370	0.9
79.05478	9.3
81.03392	2.0
81.07047	8.1
83.04975	15.5
83.08609	2.1
85.06538	1.5
91.05471	9.2
93.06489	2.0
93.07038	26.5
95.04956	8.6
95.08608	15.1
97.06523	20.5
98.21555	2.3
98.97578	87.9
103.05457	1.9
105.07014	5.9
107.04943	3.2
107.08582	16.1
109.02882	1.2
109.06486	4.4
109.10138	3.2
111.04427	7.4
111.08074	9.2
116.98615	96.3
117.07008	2.9
119.08582	4.0
121.06506	5.3
121.10175	6.2
123.04398	1.3
123.08062	2.1
125.05984	66.8
125.09605	2.3
130.07773	2.1
134.99648	100.0
135.04390	4.2
135.08025	6.9
135.11676	21.3
136.07565	1.5
137.05962	2.2
137.09549	1.4
138.06775	5.8
139.03879	3.2
139.07533	1.6
140.00163	12.5
145.10112	13.6
149.02299	1.1
153.00713	19.5
153.12767	6.4
158.01248	23.0
163.03906	5.8
163.11165	30.7
163.14835	1.4
164.11505	1.4
165.06882	1.3
165.90083	1.3
166.98596	1.4
176.02312	3.7
181.02745	2.4
181.04927	10.7
181.06479	2.9
181.08635	2.5
181.10616	4.4
181.12216	86.3
181.15671	5.5
182.08098	2.4
182.12534	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.12865	0.5
53.03944	1.3
54.90030	0.6
55.01872	1.2
55.05508	3.7
56.96564	1.5
57.07073	23.2
59.04998	2.7
62.91694	0.6
65.03931	0.8
67.05498	2.0
69.03412	1.6
69.07063	3.7
70.77299	1.5
70.77636	0.8
78.65197	0.7
79.05492	11.6
81.03419	5.3
81.07050	4.5
83.04975	48.2
85.01072	0.8
85.06554	0.8
89.37184	0.6
91.05475	5.2
93.07037	10.4
95.04964	19.0
95.08606	1.4
97.06524	24.8
98.97588	6.0
103.16788	0.7
105.07045	5.3
107.04948	3.2
107.08588	11.6
111.04434	1.4
116.98609	6.6
117.07014	2.2
119.08591	3.3
121.06499	4.2
121.10130	13.1
123.08041	1.0
125.05985	68.6
126.06318	1.3
130.07771	2.0
134.99667	7.1
135.04413	2.2
135.08026	1.4
135.11691	6.4
139.03918	1.4
139.07596	0.6
140.00179	0.8
145.02798	0.7
145.10118	10.8
148.08875	0.8
153.00664	0.9
158.01251	0.8
163.03891	3.9
163.11168	100.0
164.11533	3.5
166.07709	1.6
174.47455	0.7
181.04964	5.9
181.06409	1.1
181.08582	0.8
181.10532	1.4
181.12218	28.1
182.05791	2.6
182.11203	0.7
182.12627	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.98051	0.8
53.03957	1.3
55.01884	1.5
55.05526	2.4
57.03449	1.4
57.07076	22.0
57.07345	1.2
59.05007	3.0
67.05518	2.0
69.03437	2.5
69.07076	3.9
70.35548	1.5
70.35945	1.4
71.05016	0.9
79.05495	9.3
81.03413	6.6
81.07051	5.7
83.04979	50.2
85.06577	1.0
91.05481	4.8
93.07037	9.3
95.04964	17.8
95.08640	1.3
97.06528	24.5
98.97564	3.8
105.07020	6.0
107.04967	3.3
107.08597	10.4
109.06534	0.7
109.10155	0.8
111.04435	1.5
111.08144	0.9
116.98625	3.7
117.00322	0.8
117.06984	2.2
119.08538	4.1
120.09375	1.0
121.06483	4.1
121.09321	1.5
121.10133	13.6
121.10942	1.1
123.08080	1.1
125.05991	68.2
126.06338	1.6
130.07777	2.1
133.10095	1.0
134.99628	4.2
135.04398	1.4
135.11685	6.5
139.03984	0.8
143.01819	0.8
145.10118	12.4
153.00659	0.9
158.01282	1.9
163.03928	2.7
163.11179	100.0
164.11548	3.5
166.07811	1.6
181.04909	3.4
181.10611	1.5
181.12225	32.4
182.05804	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.41874	0.4
53.03927	0.7
55.01863	1.1
55.05510	2.0
56.64868	0.4
56.96565	2.3
57.07058	1.4
59.04992	2.5
65.03912	0.5
66.87192	0.4
67.05498	2.3
69.03416	1.6
69.07072	3.8
70.95381	1.0
70.95715	0.8
71.95275	0.4
79.05485	7.5
81.07047	6.7
83.04966	1.8
83.08602	1.1
87.04434	0.5
91.05467	3.3
93.07036	16.9
95.04964	0.7
95.08596	15.0
97.06532	2.5
98.96943	0.8
98.97574	16.6
98.98217	1.0
105.07017	3.5
107.04935	1.4
107.08579	33.3
109.06515	0.5
109.10121	2.9
111.04429	1.5
111.08056	1.4
113.57404	0.4
116.98609	14.0
117.06992	0.9
119.08565	4.3
121.06496	4.4
121.10131	16.6
122.10478	0.6
123.08057	3.7
125.05988	3.9
130.07715	1.2
134.98666	0.6
134.99644	8.6
135.04448	0.6
135.08026	1.3
135.11674	41.2
135.79620	0.4
136.12019	1.4
137.13235	1.0
138.03032	0.5
139.03902	0.5
139.07529	7.0
139.11140	0.6
140.00182	1.5
145.10109	10.2
153.00677	1.3
153.12674	2.0
155.31783	0.4
158.01224	1.5
163.11165	28.4
164.11443	0.9
172.40622	0.4
181.04947	1.5
181.12213	100.0
182.12587	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	181.1222
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03928	2.7
55.05509	38.5
56.96561	8.2
57.03426	1.0
57.07070	17.3
59.04955	1.0
60.90517	1.1
67.05505	11.8
69.03416	2.8
69.07065	5.0
69.43002	0.9
70.75654	2.2
70.76000	1.7
71.05000	1.3
79.05488	10.4
81.03420	1.1
81.07052	12.9
83.04977	17.0
83.08609	1.2
85.06520	4.1
91.05484	12.3
93.07040	34.4
95.04943	7.5
95.08607	21.8
97.06013	1.3
97.06530	14.0
98.20774	1.2
98.97580	32.7
105.07011	11.2
107.04935	2.5
107.08591	41.7
107.09315	2.6
109.06516	7.5
109.10144	4.2
111.04436	100.0
111.08061	12.3
112.04753	1.3
113.05974	3.8
115.05441	1.2
116.97833	1.7
116.98611	20.8
117.06985	3.6
119.06040	1.3
119.08557	4.8
121.06506	5.5
121.07282	1.0
121.10112	3.1
122.07276	2.7
123.08071	2.3
125.05987	62.7
125.09653	1.1
127.07519	3.5
130.07814	2.4
134.99660	10.8
135.08043	24.4
135.11684	31.0
136.12122	1.3
137.09584	1.0
138.06827	5.8
139.07536	3.3
140.00142	1.9
143.08504	1.7
145.10124	23.8
153.00700	1.1
153.12697	8.9
158.01295	1.4
163.03943	1.4
163.11179	21.3
167.90047	1.1
181.05038	1.7
181.12221	58.9
182.12573	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03925	3.1
55.01860	2.0
55.05509	39.0
56.96569	6.2
57.03436	1.9
57.07071	15.7
65.03934	1.7
67.05499	11.4
69.03413	4.6
69.07069	7.3
71.04965	1.4
71.60419	1.5
71.95265	1.3
79.05499	11.9
80.05035	0.9
81.07049	15.7
83.04982	27.7
83.08611	1.7
85.06548	5.5
90.44825	1.1
91.05478	10.8
93.03438	1.2
93.07041	30.0
94.06534	1.0
95.04972	9.9
95.08601	20.1
97.06520	19.3
98.96938	1.9
98.97576	32.0
103.05461	1.1
105.07041	9.2
106.02299	1.0
107.04933	4.6
107.08590	35.6
109.06508	7.5
109.10134	4.2
111.04436	100.0
111.08073	9.9
112.04772	2.4
113.05981	5.5
116.97316	1.7
116.98609	42.8
117.06976	5.6
119.08570	4.1
121.06482	6.5
121.10128	12.1
122.07252	1.9
123.08031	2.5
125.05985	53.6
125.09569	1.4
126.06346	1.3
127.07520	3.3
130.07808	2.6
134.99649	39.2
135.04396	3.3
135.08046	27.3
135.10690	2.0
135.11682	24.8
136.11943	1.1
137.05930	1.4
137.13211	1.2
138.06741	2.1
139.03865	2.6
139.07486	2.7
140.00148	3.5
145.10123	20.8
151.03918	1.2
153.00720	6.6
153.05428	1.3
153.12704	4.6
158.01253	7.9
163.03851	4.7
163.11169	26.0
163.12535	1.5
163.14883	1.8
164.04242	1.0
164.11530	1.2
166.06308	0.9
166.07751	1.1
173.76282	1.0
176.02324	1.1
181.04955	10.8
181.06346	1.8
181.10493	4.4
181.12202	38.1
181.15790	3.3
182.08080	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	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.30025	0.7
55.01858	2.2
55.05491	2.3
57.03410	1.0
57.06795	1.4
57.07069	22.4
59.04976	2.8
67.05476	1.4
69.03429	1.0
69.07049	3.2
70.06143	3.5
76.86938	0.8
79.05489	7.1
80.51548	0.8
81.03415	5.1
81.07037	3.7
83.04971	49.1
87.16710	1.0
88.29700	0.7
91.05464	3.6
93.07043	7.5
95.04961	16.0
95.08597	0.9
97.06518	25.9
98.21210	2.2
98.97565	1.8
100.08766	0.8
105.07026	5.7
106.01379	1.0
107.04955	2.8
107.08583	10.0
109.06506	1.0
111.20030	0.7
116.51319	0.8
116.98614	3.8
117.07004	2.3
119.08551	3.5
121.06489	3.6
121.10135	14.4
123.04330	1.0
125.05981	62.2
126.06308	0.8
129.09326	0.8
130.07765	3.1
134.83275	0.9
134.99625	3.8
135.11665	6.4
145.10118	10.5
153.57204	0.8
158.01167	1.0
163.03905	1.1
163.11166	100.0
164.11534	3.0
178.90465	0.8
181.06284	1.0
181.12213	27.3
182.05803	2.0
182.12595	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	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03948	0.7
55.01877	0.5
55.05506	0.5
56.05034	0.4
56.96565	1.0
59.06118	0.8
61.55660	0.2
63.02390	0.4
63.16309	0.2
65.03923	1.1
67.05507	0.6
68.05037	1.2
69.03434	0.3
69.04539	0.2
70.06597	0.6
70.56746	0.5
71.06116	0.2
72.04504	0.2
72.08146	0.4
77.03911	0.4
79.05491	5.3
79.05927	0.4
81.03414	0.5
81.04536	0.6
81.07040	0.5
82.05295	0.3
82.06562	0.4
83.04960	0.6
83.06091	1.2
84.04512	0.4
84.08138	0.8
86.06049	0.2
89.03912	17.9
90.04248	0.3
91.05482	3.6
93.03402	1.0
93.07029	1.9
94.06581	0.3
95.04959	2.0
95.06080	1.2
95.08601	0.3
96.05651	0.4
97.02864	0.4
97.04021	0.3
97.06512	0.7
97.07653	0.8
98.06053	0.5
98.97578	4.2
99.05598	0.4
101.07122	0.3
103.05444	0.8
105.04480	0.4
105.07037	0.4
107.04952	7.4
107.08591	0.9
108.04547	0.3
109.04759	0.3
109.06526	0.5
109.07630	0.7
110.06048	0.2
110.07149	0.4
111.04446	2.4
111.05553	0.2
111.08051	0.4
114.06638	0.5
116.98613	4.8
117.03372	19.4
118.03708	0.5
119.04948	0.9
120.05595	0.3
121.02869	0.4
121.06493	2.2
121.10140	1.0
122.07129	1.0
123.04424	0.6
123.05536	0.6
123.07941	0.3
124.08688	0.9
125.05991	0.8
125.07095	0.4
134.99658	4.3
135.04407	40.8
135.07979	1.3
135.11687	0.6
136.04669	1.2
136.07590	0.9
136.08731	0.7
137.02383	0.2
137.05992	0.8
137.07065	0.3
138.06575	0.3
139.03900	1.9
139.09766	0.5
140.00192	0.3
140.08174	0.8
145.02840	23.7
145.03845	0.9
145.10220	0.2
146.03207	0.6
148.05183	0.2
149.05945	1.0
151.03877	0.5
153.00703	0.9
153.05434	0.5
154.05043	0.2
154.09724	0.5
158.01263	0.5
158.05992	0.3
163.03893	100.0
163.11130	0.8
164.04248	2.7
164.07014	0.4
164.08218	0.4
165.05490	0.3
166.06252	0.5
181.01219	0.3
181.04973	3.5
181.06488	0.6
181.08557	1.7
181.10713	2.2
181.12259	0.9
182.04405	0.4
186.05469	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	181.0859
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
51.02378	1.3
53.03947	3.6
55.01857	2.5
56.05024	1.2
56.96573	1.7
58.06579	0.9
59.40800	0.7
60.41310	0.7
65.03936	5.3
67.05498	2.2
68.05032	1.7
70.06582	0.9
71.19885	1.6
77.03899	1.2
78.04701	2.6
79.05482	4.1
79.43330	0.7
81.03409	1.9
81.07024	1.1
83.01445	0.7
83.04964	1.1
83.06083	1.4
84.08125	1.7
89.03897	2.1
91.05475	48.2
92.05781	1.0
92.06259	6.0
93.03374	1.5
93.07032	12.3
95.04971	12.2
95.06037	1.4
97.06475	1.3
97.07666	0.9
98.97579	6.0
99.05535	0.7
103.05463	7.1
105.03397	3.5
105.04510	2.1
105.07010	0.9
106.04161	5.3
107.04932	2.9
107.08587	0.8
109.06501	1.9
109.07658	1.0
109.10091	0.7
110.03655	4.9
111.04433	2.3
113.07072	0.8
114.14729	0.7
116.98603	6.2
117.03358	1.5
118.04192	1.2
119.04929	14.5
120.05721	16.8
121.02875	1.0
121.06496	72.8
121.10138	1.4
121.20313	0.8
122.06900	1.6
123.04434	11.6
123.07998	1.6
124.05199	0.9
125.05068	1.2
125.05984	19.7
131.04881	3.0
133.02841	17.2
134.03676	1.8
134.99626	2.2
135.04395	6.2
135.08032	2.3
135.09109	0.6
136.05124	1.0
136.07564	2.3
137.05965	10.4
137.06978	1.2
138.06691	2.3
139.03882	1.6
145.02841	2.5
147.04384	12.1
148.05157	13.8
149.02261	0.8
149.05959	9.4
151.03893	31.6
153.05460	1.1
153.09111	4.2
163.03899	6.6
163.11093	0.9
165.05478	1.0
166.06245	74.4
167.03334	1.0
167.06877	1.1
181.05222	3.8
181.08577	100.0
182.08896	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	181.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83941	0.2
53.03951	0.5
55.01873	0.4
55.05501	0.3
56.05031	0.4
56.96564	0.7
57.01677	0.2
57.03428	0.5
57.07069	0.2
59.06118	0.4
59.72443	0.2
61.44711	0.2
63.02365	0.3
65.03937	1.0
67.05494	0.8
67.23022	0.2
68.05026	0.5
69.03416	0.3
69.07072	0.3
70.06585	0.4
71.04989	0.2
71.25859	0.4
74.06068	0.3
74.95550	0.2
76.45798	0.3
76.74618	0.2
77.03934	0.3
79.05486	4.3
81.03423	0.4
81.04545	0.4
81.07042	0.4
83.04972	0.4
83.06097	0.3
84.08134	0.4
85.02888	0.3
89.03911	18.1
90.04216	0.2
91.05471	2.5
93.03397	0.8
93.07034	0.9
95.04968	2.0
95.06103	0.4
97.06569	0.3
97.07611	0.4
98.07198	0.3
98.97573	4.4
103.05474	0.3
105.04488	0.3
107.04950	7.0
107.08609	0.7
108.04472	0.6
109.07645	0.3
110.07104	0.3
111.04430	1.9
115.35768	0.2
116.98616	3.2
117.03374	21.3
117.07063	0.4
118.03682	0.5
119.04953	0.7
120.05605	0.2
121.06520	1.1
121.07629	0.2
121.10084	0.5
122.07136	0.7
123.04379	0.4
124.08710	0.3
125.06033	0.5
125.07015	0.2
134.45064	0.2
134.99672	2.1
135.04404	43.3
135.07996	0.8
135.11653	0.5
136.04745	0.9
136.07578	0.5
136.08615	0.3
137.06012	0.6
139.03896	1.9
139.09778	0.2
140.08124	0.5
145.02834	24.9
146.03185	0.8
149.05989	0.3
153.00703	0.5
153.05467	0.5
153.07315	0.3
153.09010	0.3
154.04976	1.1
158.06020	0.4
163.03888	100.0
163.11171	0.7
164.04266	2.4
166.06245	0.3
181.03888	0.3
181.05055	2.2
181.06425	0.3
181.08578	1.0
181.10890	1.2
181.12239	0.5
182.04463	0.5
182.08156	0.3
186.05484	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	181.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63351	0.2
53.03943	0.6
55.01880	0.8
55.05503	0.9
56.05023	1.1
56.96567	1.7
57.03416	0.7
57.07071	0.3
58.06588	0.4
59.06118	0.5
60.04516	0.6
63.02375	0.8
65.03945	2.1
67.02960	0.3
67.05507	1.4
68.05012	0.9
69.03423	0.7
69.07072	0.6
70.06576	1.1
70.87858	0.9
71.04984	0.6
71.06136	0.3
72.08131	0.7
73.08469	0.3
73.69696	0.3
74.06078	0.5
74.13709	0.3
79.05489	5.0
80.05011	0.7
81.03409	0.6
81.04515	0.6
81.07034	1.3
83.01303	0.4
83.04990	1.2
83.06095	1.6
83.08641	0.3
84.04501	0.6
84.08144	1.6
85.02885	0.3
85.07658	0.5
85.08466	0.4
89.03911	18.4
90.04233	0.5
91.05473	4.6
93.03393	1.0
93.04571	0.4
93.07035	3.1
95.04951	3.5
95.06080	1.0
95.08601	0.5
96.06897	0.3
97.02872	1.1
97.03954	0.4
97.06526	1.0
97.07664	1.0
98.06070	0.3
98.07185	0.4
98.97572	6.4
99.05566	0.8
103.05455	1.0
105.04518	0.6
105.07016	0.6
107.04948	6.9
107.06068	0.3
107.08582	1.3
108.04473	0.9
109.04799	0.3
109.06514	0.7
109.07645	1.2
110.03671	0.4
110.07150	0.4
111.04438	3.4
111.05566	0.3
111.06378	0.3
111.08010	0.6
112.08716	0.3
114.06639	0.5
116.98602	6.6
117.03371	20.1
119.04939	1.3
120.05680	0.6
121.02864	0.9
121.06502	3.0
121.10125	1.6
122.07153	1.2
123.04412	0.9
123.05536	0.7
123.08007	0.6
123.09151	0.4
124.08708	0.6
125.02444	0.4
125.05979	1.2
125.07030	0.3
125.09612	0.5
126.05492	0.9
127.08685	0.3
134.99649	7.1
135.04402	43.5
135.07991	2.1
135.11691	0.9
136.03883	0.8
136.04808	1.2
136.07568	1.2
136.08690	0.8
137.05965	1.1
137.07045	0.4
138.03035	0.4
138.06636	0.7
139.03906	3.3
139.07552	0.8
139.09801	0.5
140.00104	0.3
140.07159	0.4
140.08176	0.9
145.02835	24.5
145.03833	1.0
146.03194	0.7
147.59988	0.3
149.02313	0.7
149.05984	1.5
151.03894	0.7
151.07542	0.4
153.00739	1.4
153.01802	0.4
153.05438	0.7
153.07074	0.4
153.09111	0.4
154.04976	1.6
154.09735	0.4
158.01239	0.8
158.06036	0.4
159.80298	0.3
162.61896	0.3
163.03888	100.0
163.11157	1.0
164.04300	2.5
164.07002	0.7
164.08220	1.0
166.06137	0.4
166.98584	0.4
167.03413	0.4
181.01292	0.3
181.04984	5.1
181.06506	1.0
181.08531	2.2
181.10747	3.1
181.12276	1.4
182.00766	0.4
182.04480	1.3
182.08096	0.7
186.05539	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	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
51.02367	0.4
53.03942	0.7
55.01855	1.2
55.05508	1.8
56.05019	1.1
56.96558	2.8
57.03402	0.4
57.04551	0.3
57.07067	0.3
58.06590	0.5
59.06123	1.5
60.04501	0.5
63.02372	0.6
64.54594	0.3
65.03942	1.6
67.02956	0.4
67.05505	2.5
68.05024	1.9
69.03415	1.2
69.04541	0.4
69.07044	1.1
69.75050	0.3
70.02925	0.3
70.06577	1.2
70.61687	0.3
71.04980	0.6
71.94801	0.4
71.95237	0.7
72.04509	0.5
72.08137	0.7
74.06073	0.8
79.05080	0.5
79.05491	7.2
80.05013	0.6
81.03400	1.2
81.04519	1.4
81.07058	2.0
81.63496	0.3
82.05309	0.5
82.06569	0.5
83.05013	1.7
83.06110	2.1
83.08594	0.4
84.04488	0.9
84.08140	2.0
85.02880	1.1
85.07651	0.8
86.06065	0.4
86.09704	0.5
89.03915	18.8
91.05474	7.1
93.03381	1.0
93.07042	5.3
94.06554	1.6
94.07352	0.4
95.04967	4.0
95.06068	2.2
95.08576	1.0
96.04459	0.6
96.05630	0.5
96.06878	0.5
97.02875	1.0
97.03990	0.6
97.06536	1.7
97.07652	1.5
98.06046	0.6
98.07152	0.9
98.97577	11.0
99.05563	1.3
102.84800	0.4
103.05476	2.0
104.05794	0.7
105.04491	0.7
105.07014	1.2
107.04948	8.5
107.06066	0.4
107.08572	3.0
108.04474	0.7
108.08111	1.1
109.02916	0.4
109.04079	0.4
109.04815	0.6
109.06502	0.9
109.07651	1.7
110.07146	0.8
111.04441	3.5
111.05585	0.6
111.08023	1.1
112.07597	0.3
112.08688	0.4
113.64280	0.3
114.06663	0.8
116.98615	13.6
117.03378	18.4
117.07001	0.8
119.04942	2.1
119.08590	0.8
120.05643	0.4
120.08093	3.3
121.02860	0.8
121.06512	5.1
121.07588	0.5
121.08442	10.7
121.10130	2.4
122.06016	4.8
122.07080	2.3
123.04413	1.1
123.05556	0.7
123.07993	1.0
123.09148	0.6
124.08702	1.4
125.05972	2.2
125.07117	0.9
125.09521	0.5
131.04919	0.4
133.12463	0.4
133.13618	0.3
134.99651	15.0
135.04410	40.8
135.08006	2.2
135.11681	1.3
136.04779	1.0
136.07558	6.3
136.08669	1.7
137.02316	0.9
137.05952	3.2
137.07001	0.7
137.09595	0.4
138.03029	0.4
138.06488	1.2
138.09125	0.4
138.10234	0.4
139.03912	3.7
139.07539	0.8
139.09755	1.0
140.00171	0.8
140.03357	0.4
140.04366	0.3
140.07080	0.8
140.08171	2.2
141.08942	0.5
145.02840	22.6
145.03860	0.8
145.10121	0.8
146.03200	0.5
147.04433	0.6
148.05215	0.5
149.02350	1.1
149.05933	2.1
151.03905	0.8
151.07526	0.8
153.00737	3.1
153.01826	0.6
153.05521	2.2
153.06706	0.5
153.07146	0.5
153.09100	0.5
153.10213	0.7
154.04926	0.4
154.09779	0.7
158.01247	1.5
163.03894	100.0
163.07492	1.6
163.11171	2.4
164.04295	2.9
164.05550	0.4
164.05772	0.4
164.06949	2.4
164.08212	1.2
165.05515	0.4
166.06250	0.9
166.07687	0.5
167.03429	0.6
181.01411	0.4
181.03096	0.3
181.04979	7.2
181.06636	1.3
181.08522	3.0
181.10715	4.7
181.12257	1.9
181.15814	0.5
182.00946	0.3
182.02888	0.3
182.04527	0.9
182.08040	0.8
186.05447	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	180.1382
Annotation	Tecomine
Peak:m/z	Relative Intensity
51.02364	0.6
53.03939	0.9
55.01862	1.8
55.05268	0.9
55.05507	8.6
56.96570	6.7
57.07053	0.8
58.06587	0.7
58.91798	0.6
65.03929	2.7
67.04227	1.2
67.05489	2.4
68.05022	8.8
68.05810	0.9
69.03418	2.8
69.07064	3.6
69.68388	0.6
70.06578	1.7
71.04971	1.1
71.51880	0.7
71.95280	0.6
72.04510	2.1
79.05489	6.2
80.05013	3.4
81.03411	1.0
81.05776	1.0
81.07050	3.6
82.06580	5.6
83.04968	2.1
83.08614	5.7
84.08100	1.4
85.02901	1.4
85.06517	1.2
89.03893	0.8
91.05475	7.9
92.05802	2.0
93.03384	1.2
93.07047	5.4
94.06558	3.1
95.04972	4.5
95.08590	1.8
96.04491	1.5
96.08147	1.0
97.00929	0.6
97.06506	1.4
98.06068	1.5
98.97578	18.7
103.05480	3.9
105.03372	0.6
105.04525	0.8
105.07038	3.3
106.06549	4.5
106.07285	1.3
107.04932	2.0
107.07372	1.6
107.08569	3.7
108.04464	10.4
109.02866	0.6
109.06519	1.7
109.10104	1.0
110.06033	85.6
111.04430	1.8
111.08033	0.9
112.07582	3.1
116.97289	1.1
116.98611	24.0
117.03310	0.7
117.05718	0.9
117.07026	2.2
119.04931	1.8
119.08585	1.3
120.05229	1.3
120.08101	25.9
120.08894	1.2
121.02900	0.9
121.06490	8.0
121.08773	0.7
121.10130	5.1
122.06004	1.4
122.09659	2.1
123.04450	1.3
124.04797	0.5
124.05087	0.5
124.07579	17.1
125.05988	1.7
131.04916	1.1
134.03656	0.6
134.06012	8.5
134.09607	1.8
134.99648	30.5
135.04410	2.4
135.08041	1.5
135.11687	1.6
136.07521	0.9
137.02385	0.9
137.05962	9.3
137.08250	0.7
138.03032	0.6
138.05553	0.9
138.06621	2.4
138.09128	2.2
139.03914	0.7
140.00194	2.4
145.06471	2.8
145.10106	1.2
147.06906	0.6
147.11607	1.4
148.04825	2.7
148.11214	5.2
149.05962	4.4
150.05524	1.5
151.06407	1.0
151.07455	3.1
152.07045	9.7
152.10712	1.6
153.00688	7.1
153.05460	0.8
158.01266	5.1
162.05457	7.7
162.09099	4.5
162.12697	0.6
163.03842	4.5
163.07532	4.1
163.11168	2.3
163.13541	6.5
165.09123	1.5
176.02316	1.2
180.03851	2.0
180.06516	19.0
180.10204	29.5
180.13805	100.0
181.04918	7.4
181.06340	0.8
181.08568	1.8
181.10434	2.0
181.12250	2.4
181.14024	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	180.0655
Annotation	2,5,6-Trihydroxy-5,6-dihydroquinoline
Peak:m/z	Relative Intensity
55.01870	0.5
65.03941	0.7
69.71372	1.3
69.71781	0.9
70.14918	0.4
71.04988	0.4
72.13383	0.3
79.05489	0.8
87.63470	0.4
88.04796	0.3
89.03899	0.5
91.05488	0.5
91.27221	0.4
93.03397	1.3
94.06453	0.3
98.21493	0.8
98.97587	1.4
106.06564	2.0
107.04902	0.5
108.04496	0.7
111.04452	2.2
116.98640	1.4
122.51720	0.3
123.04433	0.8
124.07544	0.4
132.04442	0.5
134.06010	26.5
134.99678	0.6
135.04402	1.4
137.02328	3.0
137.03354	0.5
137.05977	0.7
138.05450	0.5
139.03935	0.6
145.02853	0.6
149.04797	0.4
150.05492	0.6
151.07533	0.5
152.07071	3.1
162.05496	63.4
163.03883	2.5
163.05833	1.7
165.04192	1.4
180.06548	100.0
181.06883	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	180.1018
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
57.05812	0.9
58.06591	1.6
60.04512	0.9
70.06578	1.4
71.52930	1.2
71.66671	0.8
72.08154	1.9
73.53992	0.9
79.05441	1.2
80.05044	0.9
80.13634	0.8
84.08115	3.8
86.09723	1.6
91.05473	8.3
93.07004	1.1
95.04966	1.0
103.05424	2.0
103.24062	0.7
105.07004	2.6
107.04943	1.1
115.05457	8.0
117.07008	41.8
118.07311	1.1
119.04949	2.7
121.06487	3.2
123.04403	3.5
128.61522	0.8
130.08624	1.3
131.04944	1.5
133.06464	1.6
134.06024	1.9
135.04410	1.8
135.08061	1.9
137.04913	0.9
137.05965	26.8
145.06474	57.7
146.06805	2.9
149.05965	3.3
151.07527	10.6
152.07059	2.5
155.06033	1.9
162.05412	1.4
162.09035	1.1
163.07526	52.7
164.06937	1.8
165.07841	29.3
166.06264	1.9
180.06696	6.8
180.10181	100.0
181.08656	1.9
181.10519	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03930	2.1
53.36332	0.7
55.01877	6.9
55.05511	9.1
57.03437	8.1
57.07070	1.5
62.14541	0.7
62.98830	0.7
65.03938	1.6
67.05505	39.2
68.05831	1.1
69.03432	3.8
69.07066	12.0
70.67826	2.5
71.04996	6.5
77.03931	0.8
79.05492	35.2
80.00610	0.8
80.04987	1.1
80.06249	0.9
81.03413	1.0
81.07056	100.0
82.07384	1.7
83.04987	8.6
83.08616	4.0
83.40804	0.9
85.02917	0.8
85.06535	8.9
88.92343	0.6
91.04897	1.5
91.05482	43.0
93.07045	47.9
93.94172	0.6
94.07372	1.4
95.04973	6.4
95.08607	85.5
96.08945	1.6
97.06532	28.1
97.37914	0.7
99.08097	8.0
103.05471	1.3
105.03407	0.8
105.07031	42.3
106.07391	1.2
107.08598	23.4
108.04498	2.2
109.06501	8.2
109.07059	0.8
109.10157	7.6
111.08096	7.3
113.09635	1.1
117.07024	3.0
119.04928	6.6
119.08579	63.9
120.08102	2.6
120.08899	1.1
121.06580	1.0
121.10151	17.7
123.04449	2.9
123.08073	12.6
123.11674	1.6
123.49236	0.7
125.80428	0.8
131.08519	0.9
133.02864	1.7
133.04305	0.8
133.06488	2.6
133.10129	38.3
134.05971	1.9
135.04385	1.2
135.08119	0.8
135.11691	35.5
136.05171	1.3
137.05984	3.2
137.08264	1.6
137.09624	4.6
137.13228	1.6
146.03577	1.0
147.03391	1.5
147.04420	9.9
147.81412	0.8
151.03981	1.0
151.07570	2.0
151.11159	2.5
151.14769	1.0
152.07013	1.0
159.11691	1.5
161.05983	4.2
161.13257	95.4
162.05461	1.8
162.09233	0.8
162.13614	3.1
163.07562	1.2
177.37546	0.7
179.03389	9.2
179.07217	3.9
179.10776	2.9
179.14311	94.4
180.06493	3.8
180.10153	4.9
180.14621	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	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03947	5.8
55.01870	14.6
55.05507	27.3
56.96556	1.1
57.03421	3.6
57.07060	1.8
65.03934	6.1
67.05500	100.0
69.03404	2.4
69.07062	14.5
71.04974	2.0
71.52138	1.2
73.06550	1.4
77.03921	1.1
78.04665	1.1
79.05489	63.5
80.05016	1.3
80.05874	1.3
81.03407	21.8
81.07049	83.2
82.07374	1.2
83.04971	33.6
83.08612	14.2
85.02905	1.1
85.06544	3.0
89.03889	1.0
91.05473	57.7
92.05792	1.3
93.07037	38.9
94.07359	1.4
95.04379	1.2
95.04962	14.3
95.08599	68.1
96.08921	1.7
97.06525	29.5
97.10154	2.8
98.06822	0.9
98.98472	1.4
99.08083	2.0
103.05445	2.1
105.04492	1.2
105.07022	32.7
106.06557	2.0
106.07323	1.0
107.04946	1.1
107.08579	11.7
108.04474	4.2
109.06499	8.9
109.10158	11.2
111.08077	9.6
113.09631	7.6
115.05428	2.0
117.07011	3.0
118.04166	1.8
119.04935	13.5
119.08577	30.2
120.05252	1.0
121.06506	2.3
121.10135	5.6
123.04415	6.5
123.08050	8.0
123.11675	1.5
131.08545	1.3
133.02858	4.8
133.06476	6.6
133.10124	23.7
134.05980	3.2
135.04384	1.5
135.11711	6.7
136.05156	2.1
137.05936	5.0
137.09602	4.4
145.06392	1.4
146.03551	2.3
147.04399	19.6
151.03911	4.4
151.07532	4.6
151.11168	1.6
152.07072	4.1
159.11703	1.6
161.05981	9.4
161.09630	1.9
161.13237	17.5
162.05362	2.0
162.09061	1.3
163.07576	2.7
179.03380	22.2
179.06897	9.0
179.08888	3.1
179.10513	5.4
179.14294	46.6
180.03813	1.6
180.06482	5.7
180.10176	14.4
180.31810	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	3.5
54.88908	1.6
55.01870	13.7
55.05505	10.1
56.96562	7.9
57.03434	8.0
57.07061	1.6
59.05001	1.4
65.03939	3.0
67.05502	43.0
69.03436	6.8
69.07063	10.0
70.76392	3.5
71.04982	5.1
79.05492	37.2
80.05018	1.8
81.03413	2.3
81.07055	96.1
83.04988	9.6
83.08603	5.4
84.08131	1.6
85.06536	7.7
91.05479	52.9
93.07043	47.2
95.04978	12.9
95.06110	1.5
95.08607	73.4
97.06530	19.0
98.98449	2.7
99.08076	9.3
103.05446	4.4
105.03402	3.0
105.07027	53.2
106.06557	4.0
106.07365	1.8
107.04929	3.7
107.08585	21.2
108.04468	7.5
109.06512	11.9
109.10157	10.0
111.04436	2.9
111.08072	6.9
112.07627	1.6
115.05454	2.6
116.25452	1.3
117.07038	4.2
119.04939	26.6
119.08579	57.1
120.08120	2.0
121.06499	3.5
121.10139	18.0
122.06016	1.8
123.04422	12.9
123.08077	11.8
123.11691	2.8
124.07603	2.6
133.02869	7.0
133.06487	12.0
133.10124	47.9
134.05983	5.6
135.04424	2.7
135.08014	1.3
135.11682	33.9
136.05199	5.1
137.05991	9.9
137.08237	1.5
137.09608	7.6
137.13268	2.2
145.06432	2.1
146.03604	4.1
147.04396	37.9
151.03897	5.3
151.07529	8.7
151.11134	3.3
152.07068	7.2
161.05980	20.2
161.09621	5.3
161.13254	85.5
162.05504	4.3
162.09131	5.4
162.13631	3.0
163.03870	1.8
163.07504	4.1
170.04332	3.1
179.03406	33.8
179.07155	16.7
179.08698	2.9
179.09006	2.8
179.10654	12.2
179.14305	100.0
180.06535	14.6
180.07950	1.9
180.10172	25.8
180.14604	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	179.0702
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
50.01582	0.4
51.02367	0.6
52.06649	0.2
53.03712	0.3
53.03943	3.5
55.01874	1.0
55.05494	0.4
56.05015	0.2
57.03433	17.2
57.05371	0.2
67.05483	0.6
68.05018	0.3
69.03399	0.2
69.07062	0.4
69.65916	1.3
70.06567	0.4
71.04998	0.3
73.12632	0.2
74.92194	0.2
77.03898	1.1
79.05489	21.7
80.05827	0.4
80.93648	0.2
81.03407	0.4
81.07049	1.0
82.05328	0.2
83.04983	0.3
84.08113	0.3
91.05476	3.9
93.07018	0.9
95.04965	8.9
95.06085	0.7
95.08603	1.0
96.04449	0.2
97.07630	0.2
98.20792	0.4
103.05455	0.5
105.03385	100.0
105.04527	2.4
105.06998	2.4
106.03712	2.3
106.06529	0.3
107.04939	0.6
107.06044	0.2
107.08588	1.2
108.04463	0.8
109.06509	0.6
109.10134	0.4
110.05936	0.2
110.07192	0.3
115.05395	0.4
117.03384	0.2
119.04935	1.9
119.08562	0.7
120.05570	0.3
120.08122	0.3
121.06515	0.4
121.07650	0.2
121.10119	0.4
122.06046	0.2
123.04424	16.9
123.08054	0.5
123.92689	0.2
124.04774	0.3
124.08765	0.2
133.02856	0.7
133.06474	1.3
133.10135	2.3
134.06006	0.3
135.04434	0.3
136.05161	0.6
136.08705	0.3
137.05948	1.0
137.08231	1.1
137.09607	0.4
138.06509	0.3
141.05510	0.2
143.04883	0.5
146.03557	0.3
147.03450	0.2
147.04428	2.1
151.03859	0.4
151.06410	0.2
151.07547	0.6
151.11169	0.5
152.07063	0.5
152.08165	0.2
161.05965	1.5
161.09567	1.0
162.05463	0.4
162.06635	0.3
162.09100	0.3
163.07655	0.2
170.04376	1.0
170.54459	0.3
179.03427	2.6
179.07047	14.5
179.09105	0.5
179.10547	2.9
179.14194	0.9
180.06429	0.4
180.10185	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	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02372	0.4
53.03945	0.6
55.01867	1.5
55.02999	0.3
56.05024	0.7
56.96562	0.3
57.03449	0.3
58.73987	0.2
59.05021	0.3
65.03946	0.3
67.05513	1.8
68.05030	1.0
69.04566	0.4
70.06590	0.6
71.50309	0.5
76.02248	0.3
77.03913	1.8
78.40682	0.2
79.05503	1.6
80.05051	0.3
81.03416	0.5
81.04539	0.7
81.07065	1.3
82.06582	0.3
83.04969	0.3
83.06093	0.7
84.08143	0.9
85.02918	0.3
85.06542	0.3
87.64082	0.2
89.03912	2.5
91.05482	3.6
93.04466	0.3
93.07047	0.9
95.04990	2.2
95.06093	1.7
95.08607	0.9
96.04477	0.3
96.08133	0.3
97.07653	0.3
98.97598	0.3
103.05483	0.4
105.03384	3.7
105.07024	2.4
107.04958	0.9
107.06099	0.3
107.08588	0.4
108.05698	0.8
109.02862	0.7
109.06473	0.4
109.07652	0.2
109.10158	0.4
110.07166	0.6
111.04422	0.6
111.05574	0.3
115.05388	0.6
117.03391	1.1
118.04134	0.3
119.04945	2.6
119.08593	1.1
120.05606	0.9
121.02799	0.4
121.06503	1.0
121.10165	0.4
122.07188	0.4
123.04428	40.0
124.04767	0.5
130.82376	0.2
133.02852	29.5
133.06467	1.9
133.10138	1.9
134.03200	0.6
134.06062	0.3
134.07085	0.6
135.04420	4.4
135.05453	0.4
135.08070	0.3
135.11696	0.2
136.05176	0.4
136.08751	0.2
137.05972	0.6
137.08220	2.1
137.09669	0.4
138.06604	0.5
146.03592	0.4
147.03294	0.4
147.04419	4.6
151.03900	9.8
151.07556	0.3
151.11150	0.6
152.07063	0.4
152.08195	1.0
161.02330	0.9
161.05983	2.5
161.08235	0.4
161.09563	0.6
162.06667	0.3
163.07573	0.5
174.00780	0.3
179.03391	100.0
179.09242	1.7
179.10706	1.5
179.14270	0.6
180.03728	2.2
180.06526	0.5
190.33116	0.3
197.69554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03944	2.8
53.32798	0.6
55.01883	1.3
55.05510	13.8
57.07061	2.2
57.89738	0.7
65.03934	1.9
67.05502	46.4
68.05827	0.7
69.07063	10.7
71.03396	0.6
71.08607	0.9
71.58522	1.4
77.03908	1.1
79.05489	62.3
80.05816	1.5
81.03422	1.5
81.07050	40.5
82.07384	0.7
83.08611	8.1
89.03909	10.9
91.05475	19.6
92.05854	0.7
93.07038	81.2
94.07368	1.9
95.04970	6.0
95.08603	52.2
97.06530	1.8
97.10155	2.6
98.98466	16.3
99.08057	0.9
103.05467	3.1
105.04524	1.9
105.07022	8.0
106.04162	1.2
107.04948	3.2
107.08587	42.2
108.08917	1.1
109.02894	5.1
109.06511	2.2
109.10149	19.6
117.03377	14.7
117.06997	5.3
118.03715	1.0
119.08573	2.8
121.02895	1.8
121.06525	2.5
121.10136	100.0
122.10484	2.3
130.74138	0.7
131.04912	1.4
131.08559	6.6
133.10127	6.7
134.03633	2.8
135.04434	3.1
135.08119	1.4
135.11681	38.3
136.12079	0.8
145.02846	17.6
149.02335	5.6
149.05988	9.1
149.09451	1.5
149.13255	6.1
150.05437	1.2
158.05870	0.7
158.96130	0.7
159.08061	0.9
159.11688	9.9
162.03130	1.2
163.03850	0.7
163.06259	0.9
177.05435	10.6
177.06720	0.8
177.09106	2.1
177.12761	21.8
177.16379	49.6
178.05042	2.7
178.07043	1.2
178.08609	12.5
178.13136	1.1
178.16827	0.9
186.05496	1.6
197.16170	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	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03944	1.4
53.65705	0.5
55.05505	11.1
57.07067	1.4
59.06119	0.6
65.03938	0.8
67.05505	6.7
69.07066	24.8
69.88178	0.6
70.06594	0.6
70.07057	1.3
70.07456	2.2
71.08632	0.7
75.07693	0.5
75.82507	0.5
77.03918	0.8
78.04700	2.0
79.05489	12.9
81.07054	16.2
83.08612	15.3
84.08936	0.7
89.03913	14.4
89.04433	1.1
91.05477	9.4
93.07041	35.0
94.07372	0.7
95.04977	1.8
95.08602	38.2
96.08951	1.0
97.10165	3.7
98.98465	4.2
103.05455	1.9
105.04519	0.9
105.07023	8.8
106.04173	2.8
107.04941	0.9
107.08588	71.9
108.08929	1.6
109.02861	2.0
109.06516	1.8
109.10155	13.7
117.03372	22.2
118.03703	0.9
119.06046	0.6
119.08570	2.0
121.06517	2.0
121.10138	100.0
122.10473	2.1
123.08083	1.0
131.04898	0.9
131.08556	1.4
133.10092	1.1
134.03630	2.2
135.04410	1.6
135.10898	0.5
135.11690	16.7
145.02841	25.7
145.70988	0.6
146.03174	1.3
149.02321	1.1
149.05981	8.3
149.13272	5.2
159.11649	1.4
162.03110	0.7
163.03865	1.2
177.05452	9.5
177.09137	1.4
177.12790	2.0
177.16382	53.0
178.04855	0.9
178.08661	0.7
178.16722	1.5
186.05379	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	178.0863
Annotation	Streptazone A
Peak:m/z	Relative Intensity
55.01857	0.2
56.05044	0.2
68.05021	0.6
69.03432	0.2
70.06570	0.3
71.41517	0.2
73.26234	0.2
79.05479	0.7
81.07051	0.7
82.02925	0.5
84.08129	0.6
89.03861	0.2
91.05487	0.8
93.07056	0.2
94.06555	0.2
95.04965	0.2
96.04424	0.1
96.59271	0.2
103.05475	0.2
104.04969	0.2
105.07011	0.8
109.06514	1.2
110.07158	0.2
115.05434	0.7
116.10701	0.3
117.05794	0.3
118.96764	0.2
119.04930	0.5
122.06020	0.6
122.09666	0.2
123.04430	0.4
131.04944	0.2
132.04434	1.2
132.08038	0.9
133.06476	0.6
134.06033	0.2
135.04414	3.4
136.07555	0.2
137.05971	2.3
137.08060	0.2
143.04970	1.2
147.04398	0.4
149.05927	0.3
150.05498	4.5
150.06680	0.2
150.09108	0.7
151.03925	0.2
151.07558	0.3
155.07057	0.2
160.03949	0.3
160.07564	0.8
161.05991	1.2
161.08054	0.3
162.05489	0.6
163.06291	4.2
170.97377	0.2
172.95253	0.3
178.05228	4.8
178.08624	100.0
179.03392	0.3
179.08998	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03937	3.6
55.01868	6.7
55.05510	6.8
56.96536	1.4
57.03422	1.5
59.04985	1.4
65.03935	3.2
67.05506	27.0
69.03411	2.1
69.07069	10.4
71.57568	1.6
76.75918	1.2
78.04700	3.3
79.05491	37.6
80.05020	1.3
80.05804	1.3
81.03418	5.3
81.07053	39.7
83.04972	4.2
83.08609	5.4
84.08179	1.3
85.06537	1.9
88.02224	2.2
89.03916	31.8
91.05476	46.3
93.03394	1.2
93.07042	60.6
94.07365	2.9
95.04964	13.7
95.08602	21.9
97.06530	7.7
98.98464	32.8
103.05470	7.0
105.03377	2.4
105.07028	25.7
106.04164	10.4
106.06538	1.3
107.04948	7.2
107.07884	2.3
107.08591	39.5
108.08904	1.2
109.02855	15.4
109.06529	7.0
109.10141	4.8
111.08064	3.4
115.05427	2.0
117.03380	58.0
117.07018	26.6
118.03645	1.9
119.04904	2.2
119.08597	9.2
121.02850	3.9
121.06508	12.0
121.10139	36.7
122.06028	2.3
129.06995	3.6
131.04907	4.7
131.06882	1.2
131.08559	32.0
132.04422	2.0
132.08083	2.5
133.10124	29.1
134.03636	10.7
134.05983	1.8
134.98195	1.1
135.04419	7.9
135.08046	9.2
135.11676	15.6
136.06311	1.7
139.58578	1.1
144.09346	3.1
145.02843	62.5
146.03224	3.3
146.65060	1.1
149.02347	9.5
149.05981	25.9
149.09630	5.0
149.13246	15.9
150.05400	2.5
150.06445	1.7
152.55067	1.0
153.05553	1.1
153.93689	1.6
158.05992	2.5
159.04379	2.3
159.08083	3.6
159.11690	41.9
162.03081	4.6
163.03902	3.5
163.06322	1.2
177.05461	33.5
177.06720	2.2
177.09048	8.5
177.12738	100.0
177.16307	13.9
178.04886	6.7
178.08624	16.8
178.13113	1.9
180.75395	1.2
186.05484	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	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02383	1.5
53.03926	2.9
55.01868	5.8
55.05505	7.3
57.03436	1.8
57.07071	1.6
59.04995	1.7
63.02379	1.4
65.03931	3.0
66.24067	1.0
67.05502	25.1
69.03407	2.0
69.07072	10.3
71.13600	1.8
71.13948	1.8
71.74162	1.1
78.04691	3.9
79.05489	38.4
80.05006	2.3
81.03414	6.2
81.07050	38.1
83.04956	4.7
83.08605	5.1
85.06538	1.4
88.02197	1.6
89.03912	37.2
90.04263	1.9
91.05474	39.7
93.07037	56.0
94.06529	1.2
94.07384	1.3
95.04956	13.3
95.08599	17.0
97.06531	10.0
97.10165	1.3
98.98463	39.4
103.05470	7.0
105.03381	3.0
105.04496	1.9
105.07034	24.3
106.04159	5.5
107.04958	7.6
107.08591	33.2
109.02869	15.7
109.06530	7.1
109.10140	4.6
111.08080	3.0
115.05466	2.1
116.99474	1.3
117.03381	59.0
117.07006	25.1
118.06522	2.1
119.08588	10.3
121.02847	2.1
121.06528	10.2
121.10142	29.4
121.10971	1.1
124.05145	1.2
129.07008	2.1
131.04906	3.8
131.08563	31.1
132.04456	1.9
132.08067	1.6
133.06459	2.2
133.10120	30.8
134.03609	9.0
135.04434	9.7
135.08049	7.5
135.11687	14.8
137.05930	1.4
144.09341	3.1
145.02843	64.1
146.03151	1.7
149.02341	11.5
149.05978	30.4
149.09644	5.9
149.13248	15.9
150.05444	4.5
153.93675	2.3
157.10132	1.4
158.06023	2.9
159.04433	2.6
159.08124	2.9
159.11690	47.9
160.11975	2.1
162.03133	4.6
163.03867	3.3
177.05446	35.6
177.07632	2.7
177.09039	10.5
177.12741	100.0
177.16298	13.1
178.04898	6.5
178.07071	2.3
178.08600	31.4
178.13051	2.2
186.05508	5.0
190.96298	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.16375	0.2
53.03946	0.6
55.01865	0.3
55.05515	0.4
63.02335	1.3
65.03944	0.3
67.05483	0.3
69.03421	0.4
69.07066	0.5
69.19436	2.7
77.03925	0.2
78.04710	3.7
79.05479	1.3
81.03403	0.3
81.07045	0.7
88.25546	0.2
89.03915	44.8
90.04249	1.2
90.26569	0.2
91.05484	4.0
91.45607	0.2
92.36722	0.3
93.07041	2.2
95.04962	1.5
95.08593	1.0
98.98459	1.8
103.05457	2.2
105.03380	0.6
105.04510	0.5
105.07029	1.0
106.04169	4.4
107.04961	0.5
107.08583	1.7
109.02899	2.0
117.03378	75.6
118.03670	2.4
119.04935	0.7
119.08528	0.6
120.08077	0.6
121.02876	0.7
121.06506	1.8
121.10130	1.9
124.05202	1.3
129.04445	0.4
131.04942	0.7
131.08553	0.7
134.03625	9.7
135.03265	0.5
135.04408	6.3
135.11688	0.5
136.04773	0.3
144.09337	0.3
145.02841	100.0
146.03185	3.6
146.26909	0.2
147.04404	0.4
149.02316	0.5
149.05975	23.9
149.13205	0.2
150.05447	0.7
150.06445	0.4
158.05989	1.0
159.07944	0.4
159.11693	1.0
162.03101	2.3
163.03888	2.0
172.33710	0.3
177.05469	27.2
177.11374	0.4
177.12711	1.5
177.16373	1.1
178.04990	1.0
178.08627	0.2
186.05496	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01580	0.4
53.03942	0.8
55.01859	0.8
55.05501	0.5
62.01581	0.4
63.02383	1.2
65.03934	0.6
67.05506	0.9
69.03418	0.3
69.07053	0.9
69.43458	0.3
70.05357	1.5
78.04707	3.2
79.05493	1.9
81.03435	0.4
81.07058	1.2
83.08612	0.4
87.00834	0.6
89.03914	49.9
90.04245	1.4
91.05480	6.1
93.07040	4.0
95.04957	1.6
95.08611	1.6
98.98463	3.1
103.05453	2.9
105.03412	1.1
105.04519	0.4
105.07009	1.2
105.07642	0.3
106.04165	5.7
107.04966	0.7
107.08580	2.8
109.02903	1.9
109.03568	0.4
109.06525	0.3
109.10136	0.7
115.05468	1.3
117.03373	84.5
117.07011	5.4
118.03710	2.5
119.04974	0.8
119.08563	0.6
121.02883	0.6
121.06512	2.6
121.10146	3.0
122.58820	0.3
124.05187	1.2
131.04919	1.1
131.08571	1.5
133.06517	0.4
133.10138	0.8
134.03624	10.3
135.04405	6.8
135.08051	0.6
135.11681	1.2
144.09349	0.4
145.02837	100.0
145.06487	5.6
146.03165	3.5
147.04427	0.5
149.02275	1.0
149.05972	28.0
149.09587	0.6
149.13190	0.4
150.06346	0.8
158.05945	1.6
159.11662	1.1
162.03110	2.1
163.03850	1.8
177.05463	29.0
177.09030	4.0
177.12723	2.1
177.16335	1.6
178.05893	0.5
178.08583	0.7
178.13124	0.3
186.05496	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03942	1.3
55.01865	0.8
63.02348	1.8
69.03406	0.4
69.07064	0.5
70.69077	1.3
71.91601	0.4
76.25158	0.3
78.04710	4.1
79.05489	1.2
79.94446	0.4
81.07070	0.7
85.04005	0.5
89.03918	53.8
90.04239	1.1
91.05479	4.5
93.07052	2.4
95.04958	1.9
95.08630	0.5
98.98460	1.4
103.05483	2.5
105.03416	0.7
105.07021	0.6
106.04165	4.4
107.04955	0.9
107.08586	1.3
109.02888	2.1
117.03378	86.3
117.07018	1.1
118.03681	2.2
119.04913	0.7
119.08607	0.4
120.08130	0.4
121.00709	0.3
121.02876	0.7
121.06488	2.0
121.10147	1.0
124.05188	0.9
129.04469	0.4
130.06429	0.4
131.04886	0.4
131.05881	0.3
131.06882	0.4
131.08574	1.0
131.10977	0.3
133.06451	0.4
134.03622	11.0
135.04417	8.7
135.05435	0.5
135.08076	0.6
145.02843	100.0
146.03163	2.6
147.04341	0.5
149.02332	0.9
149.05980	27.1
150.06403	0.7
158.06029	1.0
158.34531	0.4
160.60446	0.4
162.03084	3.1
163.03900	4.4
177.05470	31.4
177.09056	1.5
177.12732	1.1
177.16403	0.5
178.05904	0.9
178.08574	0.4
186.05501	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03943	0.8
63.02375	1.4
69.84853	1.1
69.85265	1.6
78.04710	3.4
79.05480	0.9
89.03912	47.2
90.04249	1.4
91.05469	4.4
93.07057	1.4
95.04966	1.6
95.47831	0.4
98.20817	0.5
98.98464	1.1
103.05463	1.8
106.04168	5.0
107.08578	1.2
109.02871	1.1
109.07643	0.5
117.03372	82.3
118.03668	2.1
119.04958	0.5
120.08141	0.5
121.06521	1.1
121.10120	0.8
124.05186	0.9
131.04929	0.6
132.08011	0.4
134.03619	11.5
135.04420	5.7
145.02837	100.0
146.03154	2.9
149.02364	0.6
149.05971	26.2
150.06375	0.9
158.05994	1.0
162.03130	1.6
163.03885	3.2
177.05464	28.5
177.08975	0.8
177.12744	0.7
178.05884	0.6
186.05556	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	177.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96613	0.4
53.03952	0.9
62.01588	0.5
63.02382	1.6
65.03940	0.6
69.03430	0.5
69.07066	0.5
69.45988	3.6
77.03899	0.4
78.04704	3.7
79.05500	1.4
81.07060	0.5
87.72947	0.4
89.03913	52.4
90.04259	1.4
91.05474	5.2
93.07027	2.0
95.04951	2.1
95.08598	1.0
98.98480	2.1
103.05478	2.3
105.03378	1.1
106.04176	4.3
106.81139	0.5
107.04945	0.8
107.08565	1.9
109.02879	2.0
109.10189	0.6
117.03375	84.9
118.03671	2.7
119.04911	0.9
119.08537	0.4
120.08126	0.4
121.06479	2.9
121.10138	1.6
122.06059	0.4
123.04456	0.9
124.05210	1.5
131.04913	1.0
131.08586	0.7
131.46140	0.4
134.03616	10.9
135.04413	12.2
145.02838	100.0
146.03169	2.7
147.04402	0.6
148.05173	1.6
148.25063	0.5
149.02332	0.7
149.05974	30.3
150.06429	0.9
158.05968	1.2
159.06451	0.4
159.08022	0.5
159.11708	1.0
162.03143	2.2
162.06886	0.5
163.03851	3.2
170.03378	0.4
177.05460	27.3
177.12694	1.4
177.16330	0.6
178.04939	1.3
180.01300	0.4
186.05505	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03949	0.9
53.69110	0.4
53.93682	0.4
55.01874	0.7
55.05514	0.8
57.07064	0.4
57.21698	0.4
63.02381	1.3
65.03933	0.6
67.05504	1.0
69.03443	0.5
69.07056	0.5
70.05075	0.9
70.05470	0.9
72.88019	0.4
75.82262	0.4
77.03934	0.6
78.04713	3.8
79.05487	2.1
79.59217	0.4
81.07059	0.9
82.02950	1.0
89.03915	49.0
90.04251	1.1
91.05477	6.2
93.07047	4.0
95.04972	2.2
95.06130	0.5
95.08604	1.1
98.97600	0.5
98.98464	2.7
103.05466	3.3
105.03381	1.0
105.04509	0.6
105.07041	1.6
106.04166	5.2
107.04979	0.7
107.08593	2.9
109.02876	1.9
109.94138	0.4
115.05526	0.4
117.03376	80.4
117.07015	1.2
118.03627	2.0
118.21370	0.4
119.04953	0.9
119.08559	0.9
120.08115	3.7
121.02818	0.6
121.06494	4.5
121.10139	2.8
121.42726	0.4
122.06032	1.7
123.04396	1.9
124.05195	0.8
126.81374	0.4
131.04926	1.1
131.07658	0.4
131.08580	1.6
132.04485	0.5
133.10107	0.5
134.03624	10.1
135.04411	12.9
135.08069	1.0
135.11710	1.1
145.02841	100.0
146.03195	3.1
147.04401	0.5
148.05180	1.2
149.02385	0.9
149.05977	27.6
149.09662	0.8
149.13289	0.7
149.94534	0.4
150.05478	4.2
150.06343	0.5
158.06030	1.1
159.04448	0.5
159.11673	2.2
162.03133	2.8
163.03918	3.0
164.83871	0.4
177.05458	31.6
177.08952	3.5
177.12680	2.7
177.16412	0.9
178.04863	4.1
178.08652	0.7
186.05508	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.00302	0.6
53.03942	1.1
55.01861	1.0
55.05507	8.5
57.03419	0.9
57.07076	1.0
60.05646	1.2
65.03959	1.1
67.05502	3.4
69.07063	23.3
69.58013	3.8
70.06594	3.4
79.05487	3.8
81.03403	1.1
81.07051	8.1
83.08617	6.2
91.05476	21.6
91.73666	0.5
92.05789	0.6
92.90065	0.5
93.07038	4.6
95.04978	0.6
95.08595	6.7
95.47884	0.6
97.02882	0.8
98.98460	17.0
103.05470	1.5
105.03415	0.6
105.07027	29.7
106.07377	0.7
107.04932	0.6
107.08600	6.4
115.05456	2.0
116.06284	0.6
116.07117	1.4
116.99523	0.7
117.07024	4.3
118.07831	0.7
119.04941	3.1
119.08574	98.9
120.08157	0.7
120.08792	2.5
121.10158	3.8
124.08375	0.5
127.03925	0.7
128.06223	0.7
129.06976	3.5
130.06462	0.6
131.08578	7.4
132.09351	0.9
133.06494	1.5
133.10123	82.7
134.10399	2.6
135.11690	0.8
142.07719	1.0
145.10112	8.0
146.10878	1.6
147.04416	1.8
147.08104	2.7
147.11682	13.8
157.10150	1.9
158.10896	0.8
159.11617	1.2
160.05193	3.2
160.12471	4.2
168.12364	0.5
173.13239	2.4
175.03780	1.1
175.07483	4.6
175.11288	5.7
175.14812	100.0
176.06995	2.5
176.15202	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71854	0.7
60.05646	4.0
61.05324	0.8
61.05973	1.0
70.06586	8.1
70.83783	1.4
70.84124	0.7
71.06295	1.1
71.06923	9.3
99.11291	0.8
102.78481	0.7
116.07070	0.8
117.07402	2.8
131.10095	1.3
132.02107	100.0
133.02444	1.7
150.03143	1.5
160.40453	0.8
166.28867	0.7
176.01074	16.4
176.12263	3.0
182.66365	0.7
195.13274	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	176.0706
Annotation	3-Methyl-quinolin-2,8-diol
Peak:m/z	Relative Intensity
51.02370	1.7
53.03934	4.0
59.35329	1.6
60.05664	9.5
61.05988	2.1
65.03944	1.9
70.06589	17.7
71.06928	20.3
71.28763	2.6
71.29104	2.9
72.08144	2.8
73.08477	1.6
73.36538	1.6
79.05499	16.7
80.05012	2.9
80.06280	14.1
84.08125	2.8
91.05480	60.9
92.05797	2.6
93.07043	9.8
95.04960	5.2
98.98491	2.4
103.05467	44.9
105.04512	2.3
105.07035	15.9
106.06581	3.1
107.04951	13.0
107.36720	1.6
108.05753	20.2
109.02869	5.0
115.05465	3.8
116.07074	3.7
116.97253	3.4
117.07402	7.6
118.04168	3.8
119.04943	27.3
120.05786	2.1
120.08112	5.0
121.06504	25.1
130.06503	26.7
130.12273	10.2
131.04926	58.8
131.06940	3.5
131.10088	2.5
132.05347	2.0
132.08049	10.9
133.05400	3.3
133.06476	24.3
134.06123	2.0
135.04369	5.0
136.05188	79.7
137.05957	4.5
139.20522	1.7
145.02856	2.4
148.07573	33.5
149.05977	100.0
158.06026	16.8
158.08054	2.8
159.04417	5.4
160.03886	4.2
160.07587	35.0
161.04688	2.1
167.07050	7.9
175.98557	2.1
176.07082	65.5
176.10562	2.7
176.12299	3.9
177.05417	2.1
177.07791	5.5
177.10239	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	173.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05161	1.2
53.54868	1.2
55.01856	2.6
55.05507	38.9
56.14147	1.2
56.96550	3.7
57.03432	2.2
59.04999	7.9
67.05494	3.2
68.05022	1.4
69.07071	12.4
69.50453	11.6
70.06600	1.9
71.06091	1.7
71.08629	100.0
72.93782	8.0
73.02898	1.5
76.02220	2.2
81.07054	1.6
83.04974	33.2
85.02921	1.9
85.06536	1.4
87.04456	2.5
89.02386	1.6
89.03907	1.3
90.90360	2.9
90.94819	8.5
91.05470	5.6
92.85988	1.3
94.46458	1.2
95.08607	1.4
96.04470	2.1
98.20830	1.4
99.04489	1.2
99.08089	56.2
99.28653	1.2
100.08382	1.8
101.06007	26.0
103.03265	6.5
105.07012	4.8
106.69942	1.2
108.95831	2.0
111.04434	31.4
113.05999	4.4
114.05518	1.6
115.05440	3.8
117.06998	8.1
118.06530	2.1
119.08526	1.6
122.05977	1.6
122.17313	1.3
126.42801	1.3
127.07530	4.5
128.07111	1.8
128.10867	1.3
129.05482	15.9
129.06984	3.3
129.12747	5.5
131.08566	16.2
143.08531	5.1
144.09291	1.3
145.06445	3.9
145.10075	10.6
146.05960	2.1
149.94060	1.5
149.96048	2.3
151.05199	2.3
155.07042	24.8
158.07343	2.4
158.10896	6.0
167.97250	2.0
169.31100	1.4
173.05878	4.3
173.08205	34.2
173.09668	5.0
173.13257	20.2
174.05515	2.7
174.08923	1.7
174.12741	2.7
191.62643	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	L-Arginine
Peak:m/z	Relative Intensity
55.05509	0.5
55.60252	0.3
60.05649	33.6
64.68980	0.3
70.06592	100.0
71.05000	2.0
71.06916	0.8
71.56395	0.5
72.08157	7.3
76.79562	0.4
84.08130	0.8
88.07661	0.4
97.07645	0.4
98.06039	0.6
98.98480	0.5
112.07609	0.6
112.08714	4.3
113.07139	0.8
114.10277	0.6
115.08707	1.0
116.07092	25.0
123.02389	0.4
130.09756	10.7
142.84737	0.5
149.11496	0.4
157.10905	0.8
158.09236	6.2
175.11920	14.8
175.13443	0.9
178.49736	0.4
179.58778	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03952	0.6
55.05510	8.7
56.13697	0.4
57.07077	0.8
65.03951	0.8
67.05514	2.8
69.07067	26.3
70.06589	0.7
70.27038	2.0
79.05492	2.8
81.07058	6.1
83.08620	4.4
91.05474	12.8
93.07024	3.6
95.04961	0.6
95.08610	6.1
95.54483	0.4
98.58743	0.5
98.98465	5.5
103.05470	0.5
105.07030	29.0
106.07342	1.0
107.08586	6.8
115.05485	1.1
117.07019	4.2
118.07779	0.8
119.04929	1.1
119.08580	96.8
120.08843	3.0
121.10146	2.9
131.08571	4.7
132.09404	0.6
133.10130	82.8
134.10420	2.9
135.11729	0.7
145.10117	8.8
146.10872	1.6
147.04408	0.7
147.11684	14.5
159.11690	1.0
160.05246	0.5
160.12465	4.6
173.13287	2.9
175.03812	0.5
175.07515	1.1
175.14822	100.0
176.15170	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.02377	0.4
53.03948	0.5
55.05508	7.4
57.03431	0.5
57.07065	1.8
59.04989	1.3
62.92162	0.4
65.03939	0.5
67.05514	3.1
69.03431	0.6
69.07040	0.4
69.68025	2.8
71.06135	0.4
71.41461	0.5
76.02220	1.5
79.05492	4.4
81.07047	3.4
83.04976	6.1
87.04459	0.4
89.02379	0.6
91.05478	16.0
93.07039	3.4
95.08585	1.4
96.04458	0.5
98.98458	13.4
99.04454	0.6
99.08099	0.5
101.06010	4.0
103.03272	2.1
105.07018	10.0
107.08581	0.7
111.04430	5.9
113.05991	0.5
114.05482	0.6
115.05452	1.5
116.06232	1.6
116.99517	0.4
117.07014	14.7
118.06525	0.6
119.08576	5.0
127.07580	0.9
128.06258	0.6
129.05508	3.5
129.07004	5.0
130.07802	2.6
131.08556	100.0
132.08833	2.7
143.08537	1.9
144.09381	2.3
145.10123	17.4
146.05997	0.6
146.10495	0.5
155.07037	4.2
158.10901	2.0
171.11696	1.2
173.08281	9.0
173.13249	71.1
174.05464	0.5
174.13644	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	172.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72786	0.3
53.32694	0.4
54.03468	0.4
54.05544	0.4
55.01875	0.6
55.05510	14.5
56.05035	2.1
56.96553	1.8
57.03426	0.7
57.04557	0.5
57.07059	0.6
58.02957	2.2
58.06596	2.8
58.61750	0.4
59.05005	2.9
59.06134	1.1
60.04528	1.3
65.03956	0.4
67.02994	0.6
67.05513	3.6
68.05029	1.0
69.03444	1.9
69.04565	0.5
69.07066	100.0
69.75003	1.1
69.75414	1.5
70.02948	1.2
70.06588	4.7
70.07404	1.7
71.05003	1.3
71.06116	0.4
71.92990	0.7
72.04510	1.9
72.08154	2.8
72.93787	12.3
73.02921	0.6
73.04049	0.4
73.04853	0.5
74.06088	0.8
75.05603	0.5
76.02232	0.6
76.04014	0.5
79.05480	0.9
80.05047	0.5
81.04539	0.5
81.07061	5.1
82.06585	1.7
83.04978	12.6
83.06106	1.3
83.08624	1.5
84.04511	1.9
84.08130	3.1
85.02905	0.8
85.04041	1.4
85.06545	1.1
85.07664	0.8
85.24931	0.4
85.53365	0.4
86.06082	0.9
86.09714	1.1
87.04469	1.4
87.05590	0.6
88.04007	0.6
88.07654	0.6
89.02406	0.9
89.07145	0.4
89.94061	1.1
90.90397	0.8
90.94827	10.2
91.05486	1.4
94.06602	0.5
95.04962	3.2
95.06125	0.6
96.04505	0.7
96.05639	0.8
96.08137	0.5
97.02898	11.6
97.04025	0.7
97.06533	1.7
97.07638	0.5
98.06068	1.5
98.09682	3.4
99.04475	1.2
99.05590	0.8
100.03996	0.6
100.07663	0.4
101.06016	9.2
101.06606	0.7
101.07122	0.7
103.03315	1.4
105.07057	0.6
107.95112	0.6
108.08149	1.7
108.95860	5.1
109.06527	3.6
110.06036	2.1
111.04446	11.4
112.03952	0.5
112.05116	1.7
112.07628	1.2
113.05994	3.0
113.07156	1.2
113.96389	1.9
114.06683	1.8
115.05489	0.6
116.05003	0.7
116.07098	0.6
116.98629	0.5
117.07010	1.0
118.06600	0.5
123.04473	1.3
124.05113	0.7
124.07610	0.5
126.05547	1.7
126.06657	0.5
126.09149	20.5
127.05024	0.9
127.07596	2.7
127.09505	0.5
128.07079	10.2
129.05475	7.3
129.10303	0.5
131.08583	1.5
131.96170	0.6
131.97446	1.7
134.99733	0.7
136.07628	0.5
137.06000	0.6
143.08624	0.6
143.55777	0.6
144.08105	1.6
145.06493	0.9
145.10153	1.1
148.97395	2.1
149.94170	0.9
149.96109	2.9
149.97241	2.6
150.05513	0.5
154.06171	1.4
154.07382	0.9
154.08623	16.7
155.07039	9.7
155.08209	0.6
155.11812	0.7
157.09789	0.6
167.97086	4.5
172.07381	2.6
172.09732	5.0
172.11008	1.7
172.16992	0.8
173.05972	0.9
173.08148	11.9
173.11972	0.4
173.13185	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	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.06061	0.3
53.03950	0.7
55.01875	3.0
55.05511	4.6
56.05034	0.5
56.96561	0.9
64.45062	0.3
65.03942	26.8
66.04286	0.6
67.05496	2.6
68.02662	0.3
68.05021	0.4
68.99791	9.2
69.03422	2.1
69.07067	1.2
70.06588	1.0
70.81810	0.5
70.82162	0.8
70.94248	0.5
71.01329	0.4
71.04979	0.6
72.04517	3.8
72.08155	1.7
72.93803	0.6
73.06559	0.4
75.05604	0.5
79.01853	0.8
79.05504	0.4
81.03419	3.4
82.06553	0.5
83.01342	0.7
83.04982	10.6
83.08620	1.0
84.04482	0.4
84.08143	1.0
86.09699	2.5
87.05560	0.4
88.95311	0.6
89.07166	2.0
91.05521	0.4
93.03408	7.2
95.04958	0.6
95.06100	0.5
96.02103	1.3
96.08100	0.4
97.02893	2.0
97.06484	0.4
98.06027	0.4
107.08605	0.5
109.02867	0.7
110.07176	0.5
111.04443	93.7
111.09210	1.0
112.04122	0.3
112.04771	2.2
114.06678	0.3
118.98816	0.3
119.19753	0.3
121.02896	1.4
121.03989	8.3
125.02380	0.8
125.06034	0.7
125.91001	0.3
127.03925	0.6
128.07072	0.4
138.54170	0.8
139.03905	100.0
140.04192	2.3
140.47362	0.3
143.03357	0.5
143.05969	0.4
143.11795	0.4
145.47682	0.4
147.54683	0.6
147.96893	1.0
153.01801	0.6
155.26613	0.3
156.03828	0.3
156.09322	0.6
157.01288	0.6
165.97894	1.0
171.02887	1.4
171.06563	7.3
171.07950	0.4
171.11517	0.7
171.14902	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	168.1019
Annotation	2,5-Dihydrophenylalanine
Peak:m/z	Relative Intensity
57.22054	0.2
68.55887	0.2
70.54267	0.2
70.75668	0.7
79.05476	0.3
81.05803	0.2
81.07074	0.4
91.05470	0.8
93.07056	0.3
94.06567	1.5
107.07325	0.8
120.08083	0.5
122.09661	96.0
123.09995	2.1
137.05960	1.3
150.09134	45.5
151.09454	1.0
168.10193	100.0
169.10548	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	170.0811
Annotation	3,4,5-Trihydroxyphenethylamine
Peak:m/z	Relative Intensity
51.02389	0.1
52.03156	0.0
53.00315	0.1
53.03934	0.8
54.03452	0.0
55.01862	1.2
55.05503	0.5
56.02180	0.0
56.05020	0.2
56.27624	0.0
57.03428	0.1
58.06591	0.1
59.04990	0.0
60.04511	0.1
63.02361	0.1
65.03918	0.5
66.04271	0.1
66.04720	0.0
67.01853	0.1
67.04243	0.0
67.04581	0.1
67.05494	1.0
68.05023	0.4
68.05828	0.1
68.99780	1.2
69.03420	0.3
69.05810	0.1
69.07062	0.4
70.02930	0.0
70.06582	0.4
71.01325	0.2
71.04986	0.1
71.58217	0.0
72.04510	0.1
72.08147	0.6
73.02905	0.1
74.09718	0.0
76.59894	0.0
77.03442	0.1
77.03876	0.5
78.04267	0.0
78.04707	0.1
79.01853	0.0
79.05483	11.1
80.05004	0.5
80.05790	0.4
81.03402	0.5
81.05787	0.1
81.07047	1.0
82.01437	0.0
82.02929	0.0
82.03741	0.1
82.04178	0.1
82.06573	1.2
82.07381	0.1
83.01337	0.1
83.04972	2.5
83.06061	0.1
83.08606	0.0
84.04495	0.2
84.08129	0.3
85.02905	0.3
85.06534	0.1
86.06039	0.0
86.09695	0.1
87.00819	0.0
88.02179	0.1
89.03902	0.4
89.07122	0.0
91.05470	6.4
92.05804	2.8
93.03436	0.1
93.06143	3.1
93.06989	0.6
94.04151	0.1
94.06557	0.4
95.04960	2.9
95.07327	0.1
95.08579	0.1
96.04459	0.3
96.05231	0.2
96.06857	0.1
96.08117	0.9
96.08745	0.0
97.02898	0.4
97.06523	1.7
98.06045	0.3
98.06710	0.0
98.09701	0.0
99.04438	0.1
100.02470	0.1
100.07607	0.2
101.00888	0.1
101.05933	0.0
103.02425	0.1
103.05424	0.0
105.03387	0.1
105.04498	0.4
105.07037	0.2
106.03700	0.0
106.06549	1.2
107.04942	32.2
107.08573	0.3
108.04540	0.0
108.05256	0.8
108.08099	0.8
109.02858	0.4
109.05321	0.1
109.06490	0.6
109.07614	0.1
109.08378	0.0
110.02433	0.1
110.03128	0.0
110.03712	0.1
110.06030	0.6
110.06941	0.2
110.07074	0.2
110.09671	0.0
111.00764	0.1
111.04422	0.5
111.07031	0.3
111.07960	0.1
112.07580	0.1
113.05988	0.3
114.05511	0.1
115.05459	0.1
117.03329	0.3
117.07023	0.1
118.03493	0.0
119.01913	0.4
119.04932	1.8
120.04386	0.1
120.05255	1.1
121.03591	0.1
121.05540	3.2
121.06486	0.3
122.05997	0.3
123.04427	2.2
123.06797	0.1
123.08045	0.4
124.03070	0.0
124.03906	0.1
124.04778	0.4
124.07578	2.6
124.08614	0.2
124.11163	0.1
125.02343	0.3
125.05977	5.0
125.08439	0.3
125.10712	0.1
126.05469	0.2
126.06331	0.1
126.09085	0.2
126.10030	0.0
127.03913	0.1
127.06403	0.1
128.04550	0.0
128.07042	0.1
133.02855	0.1
134.03207	0.2
134.06003	5.3
134.09647	0.1
135.04398	18.7
135.07834	0.3
136.04848	0.4
136.06181	0.2
136.07127	0.0
136.07593	0.0
137.02969	0.2
137.05965	1.0
138.06299	4.9
139.00409	0.1
139.06491	25.8
140.04619	0.1
140.06784	0.5
140.10699	0.1
141.05482	0.7
141.09056	0.0
142.03546	0.0
142.04886	0.1
142.05876	0.1
142.08641	0.3
146.03622	0.1
147.01338	0.2
147.03186	0.1
150.05455	0.1
152.02536	0.2
152.07053	9.5
152.10558	0.4
153.05440	100.0
154.05782	2.6
155.02888	0.1
156.07686	0.1
157.01341	0.2
170.03058	0.1
170.05428	0.5
170.08116	4.2
170.10649	0.6
170.11768	0.7
171.06583	0.1
171.08447	0.1
171.11200	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1019
Annotation	(+)-Synephrine
Peak:m/z	Relative Intensity
53.03951	0.4
63.34975	0.3
69.84728	2.2
69.85023	0.7
73.78467	0.3
73.93561	0.4
79.05470	0.5
81.07067	0.5
91.05485	1.3
94.06567	1.1
95.04982	0.3
96.04510	0.4
96.86909	0.3
98.21509	0.5
102.64011	0.4
103.83190	0.3
107.07301	0.9
109.07615	0.5
115.34696	0.3
119.04954	0.7
120.08131	0.9
122.09662	100.0
123.04356	0.5
123.10007	2.7
137.05974	3.0
148.07571	0.5
150.09137	49.3
151.09483	1.4
166.37424	0.4
168.10194	93.5
169.10530	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	168.1019
Annotation	Epinine
Peak:m/z	Relative Intensity
55.01864	0.1
60.94698	0.1
65.03936	0.8
71.04606	0.1
71.04956	0.3
71.85751	0.1
79.05492	0.7
80.22469	0.1
81.07049	0.6
91.05476	28.0
92.05811	0.5
94.06574	0.3
95.04920	0.2
104.04986	0.8
107.04952	0.3
109.06501	1.8
111.04390	0.2
119.04935	17.7
120.05283	0.4
122.06023	0.4
122.09682	0.2
123.04421	0.9
125.05975	0.3
132.04446	2.6
133.02853	0.4
137.05968	100.0
138.06308	1.7
150.05479	1.7
150.09177	0.2
151.03973	0.1
151.07547	0.6
168.06558	0.7
168.10196	4.1
181.55017	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1019
Annotation	Epinine
Peak:m/z	Relative Intensity
59.22736	0.2
59.65281	0.2
60.07116	0.2
63.02346	0.2
65.03923	1.2
69.70847	0.2
70.75620	0.6
79.05527	0.4
81.07050	0.8
91.05478	40.0
92.05804	0.9
98.21420	0.3
100.89619	0.2
105.03388	0.3
107.04941	0.5
109.06513	2.3
110.74850	0.3
119.04938	22.9
120.05249	0.4
122.06048	0.3
123.04322	0.3
125.05965	0.4
133.02853	0.5
137.05972	100.0
138.06314	1.6
150.05481	0.5
151.03984	0.2
168.06538	0.5
168.10242	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	168.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83807	0.6
54.03473	0.9
55.01859	1.0
55.05486	1.9
56.05019	2.9
57.03435	0.7
58.06582	1.1
58.99852	1.2
59.06114	1.5
65.03928	1.5
67.05487	1.6
67.92491	0.7
67.93571	1.1
68.05024	4.7
68.99751	0.7
69.03413	0.7
69.07042	1.5
70.06591	3.5
70.06907	0.8
71.37148	1.6
72.04494	0.8
72.08141	1.7
72.18429	0.8
77.00895	1.8
79.05485	2.0
80.05031	1.6
81.03423	4.5
81.04536	1.7
81.07025	1.6
82.01420	1.4
82.06563	3.0
82.94829	2.0
83.06092	2.5
84.04532	1.5
84.08140	7.3
84.93810	1.1
84.99589	0.9
85.97272	1.0
86.00934	1.1
86.06033	1.9
90.69198	0.8
91.05452	1.4
94.06564	3.1
95.04965	1.8
95.06082	2.8
95.08611	0.8
97.02858	1.1
97.06486	0.8
97.07641	3.2
98.06037	1.8
100.02475	5.7
101.00857	2.2
102.02227	4.4
102.04047	2.3
102.94826	2.1
103.00630	12.6
103.01298	1.4
103.02491	1.6
103.98327	8.7
104.00934	4.1
104.01965	3.1
105.00362	0.9
105.07006	1.1
109.02867	9.2
109.07639	9.9
110.06062	1.4
111.00783	3.4
111.04430	2.9
111.05578	1.7
111.09208	1.5
112.07584	1.8
115.01194	1.0
115.02422	1.1
117.02158	1.9
118.03525	7.1
119.01915	18.8
119.03664	2.2
120.02014	4.6
120.03259	4.0
120.05070	1.4
121.01660	100.0
121.02317	4.6
121.99360	63.8
122.01196	1.5
122.01955	40.1
122.06013	2.7
122.06937	0.8
122.09633	2.8
122.10429	1.0
122.99445	3.1
123.02096	2.5
123.04389	1.5
123.05511	1.7
123.09174	2.2
123.97400	1.1
124.03931	1.2
125.07127	1.5
125.96457	1.0
126.02191	1.7
126.03115	4.0
126.05515	2.0
126.06452	0.9
126.10235	1.4
126.99896	1.9
127.02502	1.9
127.03548	1.3
128.01903	1.3
131.01924	1.1
132.02042	1.7
133.02267	0.9
133.03452	2.3
134.03000	1.2
135.03192	2.1
136.04565	1.4
137.02980	8.3
137.04903	1.1
137.05971	4.4
138.03093	3.1
138.04097	0.9
138.10251	0.9
139.01579	1.4
139.02686	59.6
140.00397	65.1
140.02997	23.9
140.07027	0.9
141.00473	3.1
141.03098	2.0
141.05467	15.7
142.03484	4.3
142.05273	1.0
143.03743	1.0
143.06650	1.1
143.97447	1.4
144.03226	34.1
144.04913	5.7
144.95834	1.8
145.00943	64.1
145.03552	65.8
146.01056	3.0
146.02867	5.2
150.05482	3.3
150.06567	1.1
150.09120	1.0
150.10246	1.3
151.03885	1.3
151.08643	1.9
151.10646	1.2
154.02600	1.0
160.04480	1.8
162.04279	19.1
162.06107	2.0
162.55656	0.8
162.95807	1.3
163.01973	75.2
163.04607	31.8
163.97681	0.8
164.02081	3.3
164.04088	3.0
167.04872	2.1
168.02597	6.3
168.05128	8.1
168.06560	5.5
168.07709	0.8
168.10155	2.8
168.11337	4.9
169.04892	6.0
177.00941	1.5
181.03720	1.5
186.03542	5.0
186.06172	3.1
187.05623	1.8
187.07993	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	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.01619	0.3
51.02368	0.4
52.03150	0.2
53.00306	0.4
53.03947	0.9
53.04747	0.2
53.18024	0.2
55.01882	1.0
55.05502	1.0
56.05029	0.3
56.96560	0.2
57.03439	0.6
59.05003	0.2
59.06106	0.2
65.03934	1.0
66.04716	0.8
67.05511	1.6
68.05026	0.4
68.05876	0.2
69.03434	1.0
69.07060	0.9
70.06592	0.4
70.35940	0.8
71.04959	0.4
71.07311	0.3
73.16758	0.2
77.03915	0.4
78.04710	17.6
79.05061	0.5
79.05490	7.1
80.05024	0.3
80.05794	0.4
81.03413	1.2
81.07050	2.7
82.06581	0.6
83.04450	0.2
83.04955	1.0
84.04510	0.3
85.02904	0.4
85.07656	0.2
89.11936	0.2
91.05476	4.8
91.06027	0.4
92.02592	0.4
93.03395	1.0
93.07042	3.3
94.04196	1.2
94.06571	0.8
95.04971	3.4
95.08609	1.3
96.04506	0.3
96.05774	1.2
97.02905	0.3
97.06533	1.2
97.07630	0.3
99.04465	0.2
105.03393	1.2
105.04502	0.5
105.07027	1.4
106.04174	5.9
107.04965	3.4
107.06073	0.3
107.08575	4.4
109.02864	2.4
109.06514	1.8
109.07652	1.4
109.10170	0.3
110.03663	0.5
110.06042	0.2
110.08433	0.4
111.04456	1.4
111.08078	0.9
111.09198	0.7
112.08730	0.2
119.04971	1.3
120.02082	0.4
121.01665	0.6
121.02848	0.9
121.06515	1.4
121.08437	1.9
121.10140	4.2
122.03671	1.5
122.06033	0.6
122.07123	0.8
122.09671	1.9
123.04425	29.4
123.08041	0.6
123.11697	0.7
124.05228	9.5
124.08721	0.4
125.05963	0.9
125.06870	0.2
125.08253	0.5
125.09642	0.5
126.05518	0.3
131.08594	0.7
134.03636	1.3
135.04410	1.1
135.33517	0.2
137.02299	0.6
137.05969	8.3
138.03059	0.5
139.02696	0.2
139.03911	0.5
139.07556	1.1
139.08484	0.2
139.11177	0.5
143.96652	0.2
144.03252	0.7
149.02348	1.0
149.06012	0.5
149.09599	1.9
149.13297	0.3
150.05486	0.7
150.06529	0.3
150.09085	0.9
150.10272	1.2
151.03894	5.9
152.04686	6.0
152.05954	0.3
153.05025	0.3
165.05522	0.2
167.03383	2.0
167.07028	100.0
168.04193	0.7
168.07483	2.4
168.10216	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	167.0703
Annotation	MTHPA
Peak:m/z	Relative Intensity
50.01607	0.4
51.02383	0.9
53.03943	7.3
55.01875	3.1
55.05511	5.3
57.03415	0.8
57.07064	0.4
59.04998	7.1
64.96294	0.5
65.03934	1.5
66.04700	0.9
67.05503	16.5
68.05017	0.7
68.99790	0.5
69.03421	1.8
69.07066	1.3
69.87859	2.3
69.88261	0.8
70.06590	0.9
72.28094	0.5
72.56730	0.5
77.03928	1.5
78.04703	6.9
79.05055	0.5
79.05489	14.9
80.05009	0.7
80.06255	0.6
81.03420	7.9
81.07055	6.1
82.06590	0.6
83.04983	3.7
83.06120	0.7
83.08614	1.9
84.63091	0.5
91.05479	32.7
92.05797	0.9
93.03406	1.0
93.07043	63.9
94.04188	2.3
94.06567	1.1
94.07379	1.6
95.04372	1.1
95.04967	14.9
95.08604	25.2
96.05743	0.8
96.08928	0.8
97.06526	2.0
97.07624	0.5
103.05474	10.3
105.03437	0.8
105.04510	3.3
105.07027	13.4
106.04192	2.6
106.07377	0.5
107.04947	9.2
107.08582	5.1
108.05738	21.4
109.02870	10.0
109.06495	2.0
109.07631	1.6
109.10141	0.7
110.07200	0.6
110.08419	0.7
111.04444	2.8
111.08082	11.5
111.09226	0.9
113.47649	0.4
119.04947	2.5
121.02868	1.1
121.06502	100.0
121.10114	4.6
122.03637	4.6
122.06033	0.9
122.06902	2.7
122.09659	3.6
123.04439	13.9
123.08064	51.9
124.05255	3.9
124.08395	2.1
125.05959	1.9
125.08233	0.6
125.09602	0.7
130.41545	0.5
131.08607	0.8
133.07620	1.1
134.03586	0.7
135.04393	1.6
137.05977	18.8
139.03882	0.8
139.07538	7.1
140.07022	0.6
149.02391	1.1
149.05980	35.1
149.09628	1.8
150.05421	0.9
150.06465	0.7
150.09102	1.7
150.10255	1.6
151.03860	3.5
152.04707	2.7
152.41745	0.5
167.03421	2.6
167.07036	79.8
167.10460	2.7
167.14285	1.2
168.07372	2.0
168.10233	3.3
177.38539	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	164.1071
Annotation	N-(2-Phenylethyl)-acetamide
Peak:m/z	Relative Intensity
51.02383	0.2
53.03949	0.3
55.01869	0.1
56.05042	0.2
56.96577	0.1
60.04525	0.5
61.01140	0.1
63.02387	0.1
63.59521	0.1
65.03941	0.2
67.05503	0.3
68.05002	0.1
69.07085	0.1
71.47040	0.1
72.68797	0.1
77.03947	0.3
79.05488	3.3
80.05046	0.2
80.05824	0.2
81.07067	0.4
82.06593	0.1
83.05012	0.1
89.03925	0.1
90.04253	0.3
91.05468	1.0
93.05801	0.1
93.07061	0.3
93.38570	0.1
94.06552	0.2
94.07379	0.1
95.04955	0.9
95.08595	0.2
96.05276	0.1
100.02484	0.4
103.05463	2.2
104.05750	0.5
105.07027	100.0
106.07358	2.7
107.04954	0.3
108.04517	0.1
108.05260	0.2
108.08113	0.7
108.08837	0.2
109.06525	0.3
109.10135	0.1
118.03634	0.5
118.06541	0.5
119.01920	0.7
119.04932	0.9
119.08583	0.3
120.05757	0.1
120.08086	0.1
121.06509	0.3
122.03649	0.1
122.09664	14.2
123.04444	0.3
123.08058	0.2
123.10006	0.3
124.08718	0.1
132.05289	0.5
133.02849	0.2
134.03146	0.1
135.04445	0.2
136.03908	0.3
136.04773	0.5
136.07571	5.0
136.11241	0.2
137.02930	0.2
137.05971	0.5
137.07951	0.2
137.09628	0.1
142.03452	0.5
146.03275	0.2
146.06003	1.3
146.09613	0.3
146.10599	0.2
147.04417	1.6
147.08040	0.1
147.11650	0.1
149.04686	0.2
160.04521	0.2
164.03239	0.3
164.04254	0.9
164.07045	8.3
164.10463	1.6
164.14311	0.1
165.01796	0.1
165.05525	0.8
165.07535	0.3
165.09113	0.3
165.12819	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76748	0.2
61.88168	0.2
68.45554	0.2
71.10399	0.4
71.10710	0.3
72.53673	0.2
82.01421	0.3
82.99819	2.0
84.08147	0.2
93.24541	0.2
100.02466	1.0
101.00873	26.6
102.00969	0.9
118.03535	0.4
119.01912	100.0
120.01985	4.3
121.02335	0.4
124.02427	4.9
137.02946	30.9
138.03014	1.4
142.03485	69.8
143.03622	3.2
160.04547	22.0
161.04681	1.1
161.15649	0.2
165.05086	2.7
183.06142	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	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02372	0.5
52.03142	0.3
53.03942	1.4
54.03453	0.3
55.01859	1.6
55.05508	2.3
56.05033	1.4
56.96552	1.2
57.03416	0.5
57.07070	0.2
58.06594	0.3
59.04994	0.4
59.06104	1.0
65.03934	1.9
66.04705	1.0
67.01858	0.4
67.05502	2.9
68.05029	1.4
68.05829	0.2
68.99759	0.6
69.03437	1.5
69.04551	0.4
69.07066	1.7
70.06590	1.3
70.83299	0.2
71.04985	0.7
72.08135	0.6
77.03912	0.5
78.04710	16.4
79.05489	9.2
79.05887	0.2
80.04987	0.8
80.05810	0.3
81.03426	1.8
81.04516	0.7
81.07053	3.1
82.06583	1.7
83.04978	2.6
83.06110	1.1
83.08607	0.5
84.04491	0.5
84.08133	0.9
85.02887	0.6
85.06544	0.3
85.07675	0.6
91.05479	7.3
92.02574	0.3
93.03394	1.3
93.07046	5.2
94.04169	1.1
94.06559	1.6
94.07349	0.5
95.04959	4.6
95.06083	0.8
95.08583	1.2
96.04479	0.3
96.05697	0.9
96.06868	0.3
97.02878	0.7
97.06538	2.0
97.07632	1.2
98.06030	0.3
99.04458	0.3
99.09212	0.4
102.94872	0.4
103.05499	0.5
104.05736	0.3
105.03375	1.5
105.04512	0.7
105.07027	1.8
106.04174	5.4
107.01330	0.2
107.04959	5.1
107.06048	0.6
107.08590	8.0
108.04472	0.5
108.05683	0.3
109.02856	2.3
109.06516	3.1
109.07631	4.8
109.10148	0.4
110.03668	0.4
110.06014	0.5
110.07152	1.0
110.08430	2.1
111.04448	2.1
111.05602	0.2
111.08052	1.0
111.09200	2.5
113.05984	0.5
119.04922	2.3
120.02088	0.3
120.08099	0.4
121.01675	1.4
121.02869	2.0
121.06520	2.2
121.07645	0.5
121.08427	2.4
121.10144	4.9
122.03654	1.4
122.06014	1.0
122.07118	1.7
122.08755	0.4
122.09664	8.0
123.04424	26.9
123.08022	1.2
123.09164	1.1
123.11691	0.3
124.05224	8.5
124.08705	1.4
125.02361	0.4
125.05949	2.0
125.07066	0.6
125.08231	0.7
125.09624	1.5
126.05530	0.5
126.06570	0.3
126.10217	0.5
127.07464	0.6
131.08574	0.8
132.04401	0.5
133.02850	0.7
134.03636	1.6
135.04459	1.2
137.02354	0.6
137.05972	13.7
138.03098	0.6
138.10251	0.3
139.02682	0.6
139.03876	1.3
139.07533	1.5
139.09494	0.7
139.11185	0.8
140.03455	0.3
140.07071	0.5
140.11650	0.3
143.06966	0.3
143.96735	0.3
144.03253	1.0
149.02336	1.9
149.05959	0.6
149.07040	0.3
149.09657	2.0
149.13278	0.3
150.03122	0.5
150.05479	1.1
150.06578	0.5
150.09117	3.6
150.10257	4.0
151.03902	6.3
152.04692	6.0
152.06537	0.5
162.04382	0.4
167.03435	3.1
167.07027	100.0
167.10590	3.7
167.12825	1.6
168.04185	0.8
168.07613	3.0
168.10176	8.5
168.11482	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	164.0706
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
50.28817	0.2
55.01873	0.5
55.09338	0.3
56.05031	0.9
65.03948	0.3
67.05512	0.5
68.04999	0.3
70.63922	0.8
79.05491	0.4
80.05023	0.6
81.07056	0.7
83.06103	0.3
89.03932	0.4
90.04264	1.1
91.05479	2.0
93.05793	1.0
93.11844	0.3
94.06580	0.6
95.04961	4.3
95.06072	0.3
101.00888	0.6
105.06999	0.4
107.04969	0.4
107.07373	0.3
108.04485	0.5
108.08115	7.9
109.06517	0.6
109.07643	0.3
118.03711	0.9
118.06541	4.6
118.07364	0.4
119.01936	1.7
119.04929	1.5
121.05251	0.9
121.19665	0.3
123.04427	6.6
135.04446	0.4
136.04752	1.9
136.07570	86.1
137.02917	0.5
137.05948	0.9
137.06924	0.3
137.07959	2.8
142.03526	0.9
146.03201	0.8
146.06003	11.9
147.04407	2.4
147.06384	0.3
149.04710	1.6
160.04539	0.3
164.07054	100.0
165.05473	1.4
165.07425	4.1
165.11275	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	164.0705
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
53.03916	0.5
54.04260	0.2
55.01852	0.4
55.69814	0.3
56.05005	0.9
61.01126	0.7
63.61106	0.3
65.03919	0.4
67.05486	0.9
69.03412	0.5
70.57065	0.8
77.03920	0.3
77.60373	0.3
79.05479	1.2
80.01781	0.3
80.05004	0.3
80.05798	0.9
81.04530	0.3
81.07033	1.1
82.06575	0.5
87.82283	0.3
87.85730	0.3
89.03889	0.9
90.04238	2.8
91.05470	3.3
93.05781	0.4
93.07043	0.9
94.06555	1.5
95.04968	1.3
95.06071	0.3
95.08588	0.7
96.05277	0.5
100.02469	0.8
101.00842	0.4
104.05256	0.5
105.03417	0.6
105.07005	1.2
107.04946	0.7
107.08587	0.7
108.04526	0.3
108.05269	1.0
108.08095	1.0
108.08829	0.4
109.06520	0.8
109.10123	0.4
117.03329	0.3
117.05729	0.5
118.03712	2.9
118.06535	28.3
119.01934	2.1
119.04942	2.1
119.06873	1.1
119.08549	1.2
121.05157	0.3
121.06519	0.8
121.10145	0.3
122.03627	0.3
122.06072	0.3
122.07153	0.5
122.10416	0.3
123.04426	11.7
123.08078	0.6
132.05234	0.4
133.02843	0.8
135.04411	0.8
136.03835	0.6
136.04745	5.4
136.07568	8.8
137.02945	0.8
137.05959	1.1
137.07928	0.5
137.09544	0.3
142.03485	1.1
146.03183	2.4
146.05997	86.1
147.03252	0.4
147.04431	4.8
147.06313	3.6
147.11662	0.4
148.08659	0.3
149.04712	9.3
163.05827	0.4
164.04391	5.5
164.07048	100.0
164.11575	1.3
164.14375	0.8
165.04268	0.5
165.05492	2.1
165.07446	4.4
165.11345	0.5
165.12750	0.7
176.39624	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	164.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96399	0.3
53.03964	0.3
55.01863	0.5
63.56647	0.3
69.01395	0.3
69.82053	0.3
71.01337	0.6
79.05455	0.3
80.05035	0.4
91.05473	0.7
95.04974	0.9
98.87318	0.3
108.08121	5.5
108.57291	0.3
110.07157	0.4
117.05782	0.3
118.06534	3.2
119.01910	1.1
119.04959	0.8
121.05199	0.4
122.05985	0.4
123.04485	1.7
123.05209	0.3
136.07573	65.3
137.02956	0.5
137.06001	0.8
137.07932	2.1
142.03493	1.0
146.03337	0.3
146.06007	10.2
147.04388	1.3
147.06363	0.6
149.04715	1.3
150.05530	0.7
160.04517	0.4
164.07059	100.0
165.05472	0.7
165.07487	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	164.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
56.05036	0.6
65.03944	0.2
66.08038	0.2
67.05489	0.4
69.03461	0.2
69.84562	0.8
69.84971	0.3
70.60223	0.2
79.05470	0.2
79.10131	0.2
80.04996	0.2
82.02949	0.2
91.05476	1.3
93.05780	0.8
94.06580	0.3
95.04966	3.4
102.05543	0.4
108.08115	9.0
109.06501	0.3
118.06528	1.2
119.01937	0.2
119.04939	1.6
121.05247	0.8
122.88207	0.2
123.04417	2.6
124.89555	0.2
135.06839	0.2
136.07571	88.0
137.06027	1.0
137.07924	2.8
142.03574	0.2
146.05995	1.8
147.04405	0.6
149.04736	0.4
159.51256	0.2
160.04413	0.2
162.05496	0.5
164.07059	100.0
165.07419	4.2
176.64803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0705
Annotation	3-Methyldioxyindole
Peak:m/z	Relative Intensity
53.22797	0.4
55.01852	0.8
60.28920	0.4
67.05510	0.6
70.87499	0.7
70.87838	0.9
72.44740	0.4
91.05472	0.5
93.05777	0.8
94.06544	0.6
95.04967	1.7
100.75471	0.5
108.08115	13.6
118.06580	0.6
121.05246	0.7
133.35886	0.5
136.07574	100.0
137.05846	0.5
137.07939	3.7
146.06013	1.5
148.99438	0.5
164.07062	87.1
165.07452	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02353	1.1
53.03949	10.8
55.01864	1.3
55.05268	1.2
55.05508	14.8
55.48857	0.9
57.07059	2.9
61.02901	1.3
61.50657	0.9
61.91385	0.7
65.03915	1.5
67.05503	38.7
69.07066	16.3
69.17966	0.9
69.62627	4.0
69.63058	2.4
77.03918	1.9
79.05489	87.5
80.05811	2.2
81.03411	2.1
81.07054	59.7
82.07376	2.1
83.08615	11.1
84.08122	1.0
84.88196	1.0
89.03893	2.7
91.05474	19.1
92.02600	3.1
93.07040	92.3
94.07369	2.1
95.04378	1.5
95.04960	20.6
95.08603	55.7
96.05273	1.1
96.08931	1.2
97.10157	2.6
100.02467	2.6
103.05450	3.8
105.03397	4.7
105.04503	4.4
105.07050	7.0
107.04958	6.9
107.08591	80.4
108.08911	2.8
109.06489	1.9
109.10137	4.9
117.03393	1.8
117.05771	1.3
117.06988	2.9
118.03548	1.2
119.04917	1.3
119.08585	4.5
120.02129	1.1
121.06474	2.1
121.10140	97.3
122.10470	3.8
130.06540	4.4
130.07698	0.9
131.04921	3.1
132.08072	3.5
133.02844	24.5
134.03149	2.3
135.04411	31.3
135.08043	1.8
135.11679	12.4
136.04872	1.3
136.07567	7.9
138.03075	1.4
145.02893	2.1
145.06482	1.6
145.10133	3.1
146.05957	2.3
147.04395	1.1
163.03897	100.0
163.07559	3.1
163.11165	12.4
163.12389	3.0
163.14813	70.6
164.04384	5.3
164.07051	20.6
164.15201	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	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02378	0.7
53.03948	8.6
55.01865	1.6
55.05514	9.0
57.03425	0.8
57.07064	2.6
57.86135	0.6
61.02922	7.2
64.18652	0.6
65.03935	1.8
67.05504	26.9
69.03423	1.3
69.07068	12.2
71.52062	1.2
73.02903	2.8
77.03903	1.3
79.05491	61.2
80.05035	1.1
80.05813	1.9
81.03407	1.4
81.07053	48.0
81.93150	0.6
82.07374	1.4
83.04963	0.9
83.08623	6.4
85.02895	4.3
89.03905	2.7
91.03931	2.3
91.05476	14.8
92.02611	4.1
93.07041	63.3
94.07359	1.8
95.04966	18.8
95.08606	48.1
96.08898	0.9
97.02883	1.1
97.10147	2.4
97.47517	0.7
99.37188	0.7
100.02489	2.0
103.05472	3.5
105.03402	5.5
105.04514	4.3
105.07030	7.2
106.06558	1.6
107.04960	7.0
107.08592	54.8
108.04493	0.8
108.05266	0.9
108.08122	1.2
108.08887	1.0
109.06494	1.2
109.10150	3.1
117.03378	3.3
117.05773	1.3
117.06994	2.5
118.03532	1.4
118.06539	1.6
119.04926	1.3
119.08558	4.1
121.06493	1.8
121.10141	69.6
122.10458	2.0
123.08053	0.8
130.06506	2.8
130.07832	1.4
131.04901	2.8
132.08125	3.2
132.49074	0.7
133.02847	25.6
134.03157	1.7
135.04411	31.2
135.08041	2.6
135.10693	1.1
135.11684	10.3
136.04749	1.7
136.07581	9.8
138.03093	0.9
145.02834	1.1
145.06474	1.2
145.10115	5.3
146.05956	1.7
163.03897	100.0
163.06073	2.7
163.07405	3.7
163.11162	12.7
163.12389	2.1
163.14816	49.9
164.04332	5.7
164.07063	17.6
164.15190	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02373	1.0
53.03938	10.5
55.01866	16.8
55.05508	6.8
56.20708	0.7
57.01956	0.9
57.03428	4.2
57.07064	1.6
64.78806	0.7
65.03928	1.8
67.05500	17.4
68.05023	0.9
68.99756	1.4
69.03423	7.6
69.07063	10.6
71.04980	1.5
71.45496	1.5
74.29536	0.8
77.03920	2.9
79.05487	53.6
80.04999	1.7
80.05807	0.9
80.93070	1.1
81.03419	6.8
81.06597	1.6
81.07049	25.4
82.07397	0.9
83.04976	4.1
83.08610	1.4
84.08113	2.4
85.06499	1.0
89.03403	1.4
89.03904	11.8
89.32018	0.8
91.04902	1.8
91.05474	34.2
92.02607	3.3
93.07035	61.8
94.06554	0.8
94.07355	1.6
95.04958	24.8
95.06039	1.0
95.08596	21.6
96.06862	1.2
97.06536	1.9
97.07662	0.9
100.02485	3.8
103.04809	1.5
103.05460	24.7
104.05782	0.9
105.03380	6.1
105.04498	5.8
105.07018	31.6
106.06550	3.5
106.07211	0.9
107.04951	33.0
107.08583	56.7
108.08101	3.2
108.08861	1.3
109.06516	4.1
109.07594	1.0
115.05437	5.3
116.06229	1.8
117.03365	8.5
117.05741	2.4
117.07004	33.6
118.03525	1.7
118.06523	2.5
118.07321	1.1
119.04896	4.2
119.08569	17.2
121.06496	17.7
121.10128	19.2
122.06076	0.8
122.07137	3.1
122.09630	0.8
123.07964	2.4
123.99409	0.8
128.06146	1.6
129.07005	1.5
130.06570	6.6
130.07748	10.4
131.03932	1.3
131.04919	26.0
132.05272	1.1
132.08086	7.8
133.02837	18.1
133.06456	2.1
133.10094	4.0
134.07275	1.1
135.04401	40.2
135.08026	10.0
135.11674	23.9
136.03885	1.8
136.04799	1.3
136.07571	24.7
136.08575	1.7
143.08539	2.9
145.02840	5.1
145.03943	1.8
145.06503	4.2
145.10112	42.8
146.05965	5.4
146.07024	1.8
146.10417	1.5
147.04349	2.0
147.07999	1.2
148.05211	0.9
148.08817	3.4
149.02351	0.8
149.04739	0.9
163.03889	100.0
163.06038	4.7
163.07521	14.6
163.09796	4.2
163.11151	69.9
163.12230	3.9
163.14789	10.2
164.03168	1.5
164.04514	4.9
164.07037	35.4
164.11531	2.3
164.14250	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01871	1.0
55.05492	0.7
57.07078	0.2
58.49913	0.2
63.02353	0.2
65.03931	0.4
67.01871	0.2
67.05515	1.1
68.05021	0.3
68.99784	0.3
69.03433	1.4
69.07063	2.2
69.51513	0.8
69.51950	0.9
71.04983	0.3
77.03920	0.5
79.05493	8.7
81.03407	0.6
81.04522	0.5
81.07052	2.1
82.05302	0.3
83.04962	0.6
89.03915	5.7
91.05477	4.4
92.02602	0.3
93.07045	6.0
95.04969	4.5
95.06081	0.6
95.08597	1.1
96.06859	0.2
97.06486	0.4
97.07653	0.3
103.05463	7.9
105.03375	1.0
105.04507	0.7
105.07030	4.9
106.06543	0.5
107.04953	9.8
107.07887	0.4
107.08591	5.9
108.05682	0.3
108.08102	0.3
109.06492	0.6
109.07604	0.2
115.05462	0.8
117.03374	4.5
117.07016	5.9
118.03558	0.3
118.06537	0.3
119.04943	0.5
119.08573	1.8
120.05588	0.3
120.08065	0.4
121.06505	2.9
121.10154	2.0
122.03581	0.2
122.07166	1.2
123.04423	0.4
123.07940	0.5
128.06140	0.2
129.07010	0.4
130.06535	0.7
130.07790	1.6
131.04926	8.6
132.05281	0.4
132.08115	1.0
133.02853	3.1
133.06487	2.6
135.04413	12.4
135.08037	3.7
135.11693	2.2
136.03860	0.3
136.04788	0.5
136.07596	3.6
136.08693	0.6
143.08533	0.6
145.02861	2.9
145.03934	0.3
145.06494	0.9
145.10117	9.2
146.05994	1.1
146.07057	0.4
146.10442	0.3
147.04436	0.3
147.08057	3.1
148.08826	13.5
149.09145	0.3
163.03906	19.8
163.07542	3.9
163.11168	100.0
164.04425	0.9
164.07051	5.7
164.11522	3.9
176.85449	0.2
176.87000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01872	0.7
55.05508	0.8
56.05032	0.3
56.57529	0.1
61.01170	0.2
65.03940	0.4
67.05505	0.8
69.03429	0.8
69.07067	1.3
71.04964	0.2
77.03918	0.3
79.05493	5.9
80.05831	0.1
81.03407	0.2
81.04522	0.2
81.07058	1.4
83.04971	0.6
83.08588	0.2
84.08144	0.2
86.28773	0.1
89.03917	3.7
90.04242	0.1
91.05475	3.4
92.02642	0.2
93.07046	4.9
93.07641	0.2
95.04972	3.5
95.06084	0.3
95.08588	0.6
103.05466	3.3
105.03365	0.5
105.04510	0.6
105.07030	3.2
106.06544	0.3
107.04956	6.6
107.08590	4.1
108.05679	0.3
108.08109	0.3
109.06494	0.4
115.05444	0.5
117.03387	2.7
117.07010	4.0
118.06506	0.3
119.04926	0.3
119.06049	0.2
119.08578	1.7
120.05615	0.4
120.08067	0.2
121.06495	2.4
121.10131	2.3
122.07149	0.6
122.14285	0.2
123.07938	0.4
128.06213	0.2
129.06996	0.3
130.06526	0.5
130.07780	1.3
131.04919	2.7
132.08061	0.4
133.02855	1.2
133.06480	2.2
133.10115	0.2
135.04419	6.8
135.08052	3.1
135.11682	1.7
136.04802	0.2
136.07564	1.8
136.08652	0.5
143.08548	0.4
145.02856	2.0
145.03897	0.2
145.06480	0.5
145.10123	7.3
146.05983	0.5
146.07138	0.4
146.10497	0.3
147.04543	0.2
147.08044	3.4
148.08824	12.6
149.09183	0.6
161.09579	0.2
163.03917	11.0
163.07599	2.0
163.11172	100.0
164.04391	0.3
164.07047	3.5
164.11530	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02378	0.3
53.03951	1.7
55.01868	1.0
55.05503	1.0
56.05018	0.3
56.96536	0.3
57.03416	0.4
58.06598	0.2
59.13724	0.2
63.02359	0.4
65.03932	0.7
67.05500	1.4
68.05028	0.4
68.99774	0.2
69.03423	1.7
69.07060	1.7
71.04972	0.5
71.51382	0.4
77.03922	0.7
78.95253	0.2
79.05489	8.9
80.04998	0.4
80.05821	0.4
81.03407	0.5
81.04518	0.2
81.07055	2.6
82.05286	0.2
83.04979	0.5
83.08611	0.4
84.08109	0.3
89.03915	9.4
91.05476	5.8
92.02614	0.6
93.07042	8.2
94.07363	0.4
95.04965	4.3
95.06097	0.9
95.08605	1.0
96.06876	0.3
97.07636	0.3
100.02470	0.5
103.05470	6.0
105.03441	1.0
105.04520	1.0
105.07023	4.2
106.06544	0.6
107.04219	0.4
107.04953	8.3
107.06075	0.5
107.08588	7.2
108.05698	0.3
108.08108	0.6
109.06516	0.7
109.07660	0.3
115.05453	1.3
117.03379	7.7
117.05761	0.6
117.07010	4.6
118.03588	0.4
118.06534	1.0
119.04941	0.7
119.06050	0.2
119.08569	2.4
120.02068	0.3
120.05663	0.4
120.08099	0.4
121.02904	0.3
121.06499	3.2
121.10132	2.7
122.06014	0.2
122.07153	1.1
123.04415	0.3
123.07998	0.6
127.03931	0.3
128.06281	0.3
130.06528	0.9
130.07794	1.3
131.04918	6.0
132.05206	0.2
132.08087	1.4
133.02846	2.8
133.06479	2.8
133.10136	0.3
135.04414	16.9
135.08038	5.6
135.11702	2.6
136.03889	0.4
136.04785	0.7
136.07611	4.2
136.08678	0.8
140.49745	0.2
143.08542	0.6
145.02850	5.2
145.03955	0.5
145.06471	1.1
145.10112	7.3
146.06020	2.4
146.07080	0.4
146.10483	0.3
147.04413	0.4
147.08061	3.5
148.08826	13.6
149.04712	0.4
149.09157	0.5
153.11540	0.2
162.05492	0.2
163.03906	23.5
163.06151	1.0
163.07547	4.6
163.11168	100.0
164.03236	0.5
164.04295	0.9
164.07047	8.0
164.08408	0.4
164.11540	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03934	0.9
55.01872	0.7
55.05508	0.8
56.05032	0.3
56.57529	0.1
61.01170	0.2
65.03940	0.4
67.05505	0.8
69.03429	0.8
69.07067	1.3
71.04964	0.2
77.03918	0.3
79.05493	5.9
80.05831	0.1
81.03407	0.2
81.04522	0.2
81.07058	1.4
83.04971	0.6
83.08588	0.2
84.08144	0.2
86.28773	0.1
89.03917	3.7
90.04242	0.1
91.05475	3.4
92.02642	0.2
93.07046	4.9
93.07641	0.2
95.04972	3.5
95.06084	0.3
95.08588	0.6
103.05466	3.3
105.03365	0.5
105.04510	0.6
105.07030	3.2
106.06544	0.3
107.04956	6.6
107.08590	4.1
108.05679	0.3
108.08109	0.3
109.06494	0.4
115.05444	0.5
117.03387	2.7
117.07010	4.0
118.06506	0.3
119.04926	0.3
119.06049	0.2
119.08578	1.7
120.05615	0.4
120.08067	0.2
121.06495	2.4
121.10131	2.3
122.07149	0.6
122.14285	0.2
123.07938	0.4
128.06213	0.2
129.06996	0.3
130.06526	0.5
130.07780	1.3
131.04919	2.7
132.08061	0.4
133.02855	1.2
133.06480	2.2
133.10115	0.2
135.04419	6.8
135.08052	3.1
135.11682	1.7
136.04802	0.2
136.07564	1.8
136.08652	0.5
143.08548	0.4
145.02856	2.0
145.03897	0.2
145.06480	0.5
145.10123	7.3
146.05983	0.5
146.07138	0.4
146.10497	0.3
147.04543	0.2
147.08044	3.4
148.08824	12.6
149.09183	0.6
161.09579	0.2
163.03917	11.0
163.07599	2.0
163.11172	100.0
164.04391	0.3
164.07047	3.5
164.11530	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	163.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52798	0.6
53.03944	2.8
63.02378	1.7
64.72137	0.5
71.47850	0.6
71.48175	1.0
79.05489	12.5
89.03912	69.5
90.04272	1.6
91.05489	2.2
93.07058	1.0
95.04958	2.8
103.05478	2.2
105.04536	1.0
105.07022	1.3
107.04948	13.7
108.90993	0.6
117.03374	52.9
118.03735	1.1
118.06494	0.8
121.06562	0.7
121.10104	0.7
122.03627	1.0
131.04944	1.6
132.02052	2.1
133.02892	1.3
135.04407	89.9
136.04774	2.0
136.07581	1.8
145.02840	38.9
145.03854	1.6
145.10164	1.4
146.03197	1.0
150.03050	0.9
157.71904	0.6
157.78697	0.7
163.03894	100.0
163.11195	2.1
164.04259	2.8
164.07063	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	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00314	0.4
53.03946	2.2
55.01855	0.7
62.01564	0.4
63.02374	1.5
63.98775	0.4
69.03428	0.4
69.37746	0.7
69.38148	2.3
75.48460	0.3
77.03936	0.4
79.01805	0.3
79.05490	10.7
81.03434	0.4
81.07058	0.6
83.06123	0.4
85.02904	0.5
89.03914	55.8
90.04248	1.8
91.05485	1.9
93.07026	1.7
95.04970	4.5
95.06049	0.4
95.08604	0.7
100.42412	0.3
101.60355	0.4
103.05466	7.9
105.03391	0.6
105.04526	1.2
105.07037	1.1
106.06479	0.5
107.04952	13.9
107.08612	1.9
108.05563	0.4
115.05517	0.4
117.03375	45.2
117.07010	1.2
118.03711	1.0
119.08535	0.5
120.08036	0.5
121.06482	0.6
121.08443	1.9
121.10112	1.1
122.03659	0.7
122.07119	0.8
123.07985	0.7
130.06537	0.7
131.04921	9.9
132.02057	2.1
132.05276	0.5
133.02831	2.0
135.04408	81.6
135.07968	0.9
135.11687	0.6
136.04770	2.4
136.07565	2.8
136.08601	0.7
145.02843	35.1
145.03864	1.5
145.10136	0.5
146.03201	1.1
146.05995	0.9
146.07083	0.5
150.03072	0.6
158.06009	0.5
163.03894	100.0
163.07483	2.8
163.09770	1.2
163.11162	1.6
163.12325	0.5
163.14748	0.8
164.04285	3.9
164.05539	0.4
164.05803	0.4
164.07062	4.6
171.80096	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	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
50.47225	0.9
53.03934	2.0
55.01865	4.7
55.05502	2.1
56.05029	4.5
56.96546	2.8
57.03429	1.2
57.05349	0.9
58.06578	3.1
59.05875	1.0
59.06118	12.1
59.93108	6.2
60.04522	6.7
61.01129	1.2
65.03928	1.5
67.04237	1.9
67.05485	1.5
68.05032	4.2
68.99773	0.9
69.03404	3.0
70.02949	1.5
70.06590	5.4
70.07267	3.2
71.04971	1.2
71.94077	1.5
72.04502	3.4
72.08151	22.8
73.02893	1.2
74.06068	3.3
74.95417	1.0
75.05595	2.5
77.03889	1.1
77.94157	1.9
78.04725	1.1
79.05493	14.6
80.05014	4.8
82.06556	3.7
83.06071	2.1
84.04494	4.6
84.08140	12.8
85.02885	2.0
85.07653	1.8
86.06052	4.1
86.09680	1.2
87.04482	1.7
91.05475	20.7
92.05766	1.4
92.06268	1.7
94.06546	2.7
95.04955	3.3
95.06049	1.6
95.95167	1.5
96.04482	3.4
96.08108	1.5
97.02897	2.0
97.07639	1.7
98.06024	1.8
99.05610	1.5
100.02193	4.0
100.03960	1.6
100.07600	2.0
101.00876	1.7
101.06042	1.0
101.07124	3.7
102.04740	0.8
102.05529	2.5
102.09143	1.6
103.05464	8.9
104.04977	2.7
105.03386	1.5
105.07024	78.9
106.06628	1.7
106.07359	3.4
107.04945	3.7
108.04426	2.4
108.08089	1.3
110.06021	2.2
111.04429	1.1
112.05165	1.2
113.02346	2.2
113.07140	1.9
114.05489	2.3
114.09139	3.5
115.05451	33.7
115.08652	1.8
116.04957	1.4
116.05766	1.4
116.10719	3.7
117.05781	12.2
117.07005	12.5
118.01871	1.2
118.04152	1.0
118.06545	14.0
118.96755	17.2
119.01902	13.5
119.04935	7.0
119.08605	1.1
120.01957	1.0
120.05733	24.0
121.01600	2.1
121.06490	1.7
122.06017	2.9
123.04426	1.2
124.03876	1.2
124.05125	2.1
124.07562	1.3
125.07092	1.4
126.12780	3.1
128.01669	2.2
128.06178	1.2
129.02448	11.6
130.06494	1.8
130.08575	1.1
131.04910	1.9
131.05960	1.0
131.06892	1.3
131.08223	1.1
132.03465	1.7
132.04443	33.9
132.05385	1.2
132.08080	66.3
133.06485	68.4
133.08467	2.8
133.10109	2.0
133.99042	0.9
134.05984	5.0
134.06874	1.8
135.04370	1.3
135.06573	1.1
136.05182	2.9
136.07590	1.7
137.02957	7.6
137.05850	2.2
137.08398	1.1
138.06325	1.3
141.98361	1.1
142.02208	1.4
142.03496	5.1
142.06476	3.0
142.08633	2.5
143.04849	1.8
143.07201	1.9
143.08185	2.6
144.05850	1.3
144.10162	1.5
148.05672	0.9
150.05490	4.3
150.95711	2.9
151.06256	3.3
151.07524	5.8
152.04662	2.1
154.96474	5.8
159.06796	2.5
160.04262	34.8
160.07564	100.0
160.09679	4.2
160.10811	1.7
160.13293	1.3
161.04691	2.2
161.05959	7.6
161.08015	3.1
161.09502	4.8
168.02487	1.2
172.97592	1.2
177.97873	1.1
178.05602	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	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63630	0.3
55.59705	0.3
59.06135	0.6
59.93115	0.6
70.71356	1.1
72.08161	2.0
82.99852	1.4
84.08141	1.8
94.25711	0.3
100.02478	1.8
101.00880	18.7
102.00968	0.5
117.60935	0.3
118.03515	5.5
118.06570	0.8
118.96742	2.6
119.01918	100.0
120.02029	1.8
120.03264	0.4
121.01675	0.9
124.02409	2.5
128.86833	0.3
132.04449	1.0
136.02756	2.0
136.04552	5.1
136.47871	0.4
136.91795	0.3
137.02957	42.1
138.03098	0.5
139.02672	0.7
142.03496	33.1
143.03711	1.9
154.03720	0.3
154.96484	0.9
160.04558	34.2
161.02979	2.0
161.04565	1.5
161.05946	0.5
165.05151	1.6
178.05603	12.9
179.03986	3.2
179.05408	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	160.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68753	0.1
59.06116	0.1
60.04511	0.1
61.06268	0.1
65.03922	0.7
69.00922	0.1
69.81175	0.3
69.81583	0.2
72.20177	0.1
75.74615	0.1
77.76759	0.1
79.05469	0.1
79.52660	0.1
84.08138	0.1
90.03445	0.7
91.05476	0.2
92.05001	2.6
96.35812	0.1
98.21502	0.2
105.04513	2.9
105.07014	0.3
106.04851	0.1
109.39132	0.1
115.05418	0.2
117.04485	0.2
117.05724	0.2
118.05248	0.1
118.06561	0.7
118.96738	0.3
132.05563	14.4
133.03896	0.1
133.05902	0.3
133.10078	0.2
135.05527	2.1
145.05196	0.1
160.05052	100.0
161.05453	3.4
161.08348	0.1
161.09628	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
67.05491	4.4
71.60655	0.6
71.61136	1.0
72.70657	0.5
76.93377	2.8
79.05489	5.2
81.07064	4.4
85.06519	0.6
91.05479	20.2
92.05840	0.9
92.87504	0.6
93.07043	2.1
94.94394	0.9
95.04991	0.7
103.05470	1.2
104.04940	0.7
105.07026	17.7
113.02371	1.9
113.07965	0.5
115.05442	4.9
116.06232	2.3
117.07011	57.8
117.95971	2.2
118.06531	2.0
118.07353	2.1
119.08563	6.3
128.06195	1.2
129.06996	12.5
130.07790	14.8
131.08559	96.5
132.04456	5.2
132.08035	0.9
132.08891	4.2
132.41225	0.5
135.97017	1.6
141.01820	4.0
142.07745	1.3
144.05687	0.6
144.06786	0.8
144.09343	10.0
157.10133	2.4
159.08043	2.4
159.09152	2.2
159.11684	100.0
160.03972	0.9
160.07559	1.3
160.12010	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03922	1.1
54.73610	0.7
57.03421	1.2
63.09319	0.8
65.03967	0.8
67.05511	4.8
70.06583	1.6
71.06909	0.8
71.58028	1.2
72.36414	0.8
75.47311	0.7
76.93356	8.5
79.05486	5.6
81.07051	3.4
91.05474	18.6
93.07034	1.5
94.94396	2.3
95.04946	1.2
103.05463	1.8
105.07030	15.8
107.04903	0.7
113.02368	3.2
114.05502	1.0
114.83167	0.7
115.05477	4.6
116.06226	2.4
117.07010	53.9
117.95989	6.8
118.06512	3.3
118.07305	1.7
119.08579	4.2
119.47820	0.7
120.05775	1.3
122.06015	0.9
129.07004	10.3
130.07779	15.8
131.04936	1.6
131.08560	84.8
132.04439	10.6
132.08055	2.2
132.08910	3.2
135.96982	6.0
141.01799	10.1
141.06929	1.2
142.07773	0.9
144.05702	1.8
144.09328	10.2
157.10109	2.6
158.98587	1.6
159.02917	1.0
159.04329	1.3
159.06917	1.2
159.08096	8.7
159.09128	2.7
159.11681	100.0
160.03905	1.8
160.05125	1.5
160.07594	2.3
160.09605	1.1
160.12051	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	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.3
55.01868	0.7
55.05511	0.5
56.05037	0.7
56.96568	1.5
57.03436	31.8
57.07073	69.1
58.03774	0.6
58.06604	0.2
58.07414	1.7
59.05006	0.7
59.06127	1.0
59.93113	0.7
60.04523	0.7
61.02926	3.6
65.03948	0.6
67.05503	0.7
68.05022	0.4
69.03410	0.4
70.02905	0.2
70.06623	0.5
71.04977	0.3
71.95277	0.2
72.04522	0.4
72.08147	1.3
76.93363	3.0
79.05490	1.0
80.05009	1.7
81.07062	0.5
82.06589	0.9
82.30691	0.2
84.04508	0.3
85.02905	0.3
85.06541	32.9
86.06895	0.7
87.04477	1.1
87.05589	0.3
89.54731	0.3
90.03458	0.4
91.05478	3.4
92.04988	2.5
94.06561	0.8
94.94384	1.2
95.04943	0.4
95.06089	0.3
96.04488	0.7
97.06566	0.3
98.97588	3.3
99.04501	0.2
99.05622	0.4
100.07626	0.2
101.07213	0.2
102.55505	0.4
103.05473	0.7
103.07577	17.7
104.05024	0.6
104.07959	0.5
105.04533	2.9
105.07037	0.8
106.04171	0.4
106.06563	0.9
107.04961	0.8
108.04472	0.5
110.03655	0.3
110.06035	1.0
111.05566	0.3
113.02359	1.1
114.09148	0.4
115.05452	0.5
116.06236	0.5
116.55258	0.3
116.98619	3.1
117.05774	0.7
117.07002	0.8
117.95979	2.9
118.06525	2.1
118.96744	0.8
119.04915	0.6
119.08564	0.3
120.05710	1.2
121.08599	0.7
122.06023	2.3
122.57037	0.3
123.04437	0.5
123.06834	0.5
124.03938	0.3
124.05186	0.3
124.07611	0.4
127.56312	0.2
128.06229	0.3
129.07018	0.9
130.06531	0.9
131.04892	0.9
131.06900	0.2
131.08556	3.1
132.04469	3.1
132.05576	12.9
132.08066	2.9
132.08897	0.3
133.05261	0.3
134.03627	0.7
134.06020	0.8
134.09694	0.4
134.99655	2.3
135.04515	0.4
135.05540	2.0
135.97003	2.1
136.05194	0.6
137.05977	1.7
140.03339	0.3
141.01804	2.6
142.02263	0.2
142.06479	0.5
143.55733	0.5
144.05707	0.4
144.09326	0.6
147.04427	0.3
150.05505	1.7
150.95734	0.3
151.06265	1.8
152.06944	0.5
158.01360	0.3
159.03026	0.3
159.04359	0.7
159.05597	0.3
159.06796	0.4
159.07959	1.8
159.09195	1.5
159.10168	15.5
159.11673	3.3
160.05058	100.0
161.05934	0.2
166.08643	0.5
167.05779	0.4
178.08537	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	157.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.1
55.68764	0.3
56.05039	1.5
56.96564	0.9
57.04559	0.7
57.05378	0.4
57.93557	3.7
58.01475	1.4
58.06599	0.4
58.99876	0.9
59.06137	1.1
60.04549	0.6
67.05505	0.5
68.03348	0.4
68.05028	0.6
69.03448	0.4
69.07066	1.0
70.02951	0.6
70.06598	1.0
70.77477	0.8
70.95855	0.9
71.06103	0.5
71.95292	0.4
71.95898	0.6
72.04530	0.8
72.93793	1.1
73.93849	0.8
74.93823	7.6
74.94229	0.5
75.94625	1.7
76.02529	0.9
77.00919	0.9
79.05502	1.0
82.01468	0.7
82.99823	0.4
83.04983	1.2
83.06123	1.4
84.04516	0.9
84.08165	0.8
87.05598	0.6
90.94810	0.5
92.94859	2.1
93.04500	0.4
93.07064	0.5
93.66521	0.4
93.95636	0.7
95.05001	0.5
95.06065	0.5
95.08595	0.4
97.02937	0.7
97.06537	1.1
98.00921	1.0
98.07146	0.5
98.97572	3.5
99.05582	1.2
100.02476	8.3
100.03998	0.5
101.00873	2.9
102.02225	0.5
103.02457	0.7
108.93172	0.4
110.07187	1.1
111.04438	0.5
111.05559	3.6
111.08064	0.4
112.98789	0.6
113.02275	0.4
113.07150	0.4
115.02431	0.7
115.03543	0.7
115.96429	6.8
116.01947	16.8
116.07033	0.5
116.97221	13.3
116.98559	3.9
117.02110	0.6
117.03970	0.5
118.03512	25.3
119.01910	19.4
120.01980	1.4
121.01627	0.7
121.10191	0.4
122.07186	0.4
129.04018	0.4
129.06956	0.5
131.99562	1.0
132.05087	0.8
132.95815	0.7
133.01656	1.3
133.03557	4.0
133.04556	1.8
133.05380	0.8
133.96072	0.9
133.97452	4.9
134.02982	100.0
134.04723	4.4
134.95924	0.5
134.99677	3.1
135.03191	3.2
136.04544	18.3
137.02963	8.9
137.03955	0.6
138.03026	0.5
139.03511	3.6
139.98755	0.5
140.08160	0.7
141.05084	1.2
142.03519	1.8
142.07722	1.0
143.08134	0.3
145.06749	0.8
147.05075	0.5
148.96169	1.5
150.06136	0.5
150.96896	2.5
151.04523	0.9
151.06274	1.0
151.97090	3.9
152.02188	0.8
152.04025	20.3
152.05786	2.8
152.96896	4.3
153.00751	0.8
153.04187	0.9
156.99126	0.4
157.04572	22.2
158.02991	2.0
158.04617	1.2
158.09636	2.5
159.04958	0.4
159.06113	0.9
160.04541	1.0
170.97971	1.2
175.04324	0.9
175.05641	6.7
175.98479	0.8
176.04002	2.7
176.05634	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	159.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
53.03940	5.0
55.01874	14.8
55.05505	5.0
56.05023	7.5
56.96560	10.4
57.03417	3.6
57.07093	1.9
58.06603	3.5
59.06117	7.7
59.93097	3.0
60.04518	9.2
65.03938	8.1
67.04243	2.3
67.05498	3.7
68.05010	6.3
68.99780	2.2
69.03423	3.6
69.07077	2.7
70.02952	3.9
70.06597	9.8
70.89011	1.8
71.03833	3.8
71.04164	2.1
71.04994	3.6
71.06088	1.9
72.04508	3.6
72.08154	25.4
73.95684	2.1
74.02464	2.7
74.06061	3.6
76.93369	3.3
77.03926	2.4
78.04700	6.0
79.05487	30.1
80.05013	26.7
80.06257	4.5
81.03448	2.3
81.05782	2.5
81.07064	4.1
82.02952	2.3
82.06573	13.6
83.04981	1.9
83.06087	2.6
84.04494	7.6
84.08138	28.3
85.02879	5.0
85.04005	2.8
86.06049	3.5
86.09691	15.4
87.04445	3.2
87.05582	6.9
88.05186	2.1
89.03915	2.1
89.54730	4.2
91.05479	70.7
91.32963	1.7
92.05779	3.1
92.06269	4.7
93.03393	1.9
93.05769	2.0
94.04177	8.1
94.06561	19.7
95.04985	9.2
95.06100	3.5
95.07361	2.1
95.51619	1.8
96.04476	9.6
96.08113	8.1
97.02901	1.9
97.06532	2.4
97.07655	2.6
98.06032	2.5
98.97577	12.2
99.05592	2.9
100.07603	3.6
102.55506	6.9
103.05463	27.2
104.05016	10.5
105.03403	2.3
105.04512	2.0
105.07027	100.0
105.68066	1.9
106.06535	9.7
106.53959	3.8
107.04944	19.1
108.04477	9.4
108.05737	4.7
109.02895	4.4
110.03644	5.1
110.06033	21.6
111.54942	1.8
112.04107	4.1
112.07649	2.6
113.02359	6.3
113.07117	4.0
113.07869	1.8
113.11555	2.9
114.05515	6.6
114.09138	12.2
114.55481	2.2
115.05456	39.2
116.06165	2.3
116.55225	3.6
116.98612	14.5
117.05780	11.2
117.07023	20.7
117.96025	2.6
118.06535	8.9
118.96750	12.6
119.01903	3.9
119.04945	26.6
119.07333	2.5
120.05726	59.9
120.55473	12.2
121.02891	3.0
121.56276	2.1
122.03662	3.1
122.06020	36.6
123.04417	6.4
123.06792	7.6
124.03940	4.7
124.05190	6.5
124.07613	9.1
125.54689	2.6
127.00274	5.7
127.56265	3.6
128.06349	2.0
129.06972	2.9
129.10207	3.5
130.06529	61.7
130.08611	5.0
131.01889	15.2
131.04929	14.1
131.06871	3.6
131.08556	7.7
132.04436	21.2
132.08090	78.2
133.05331	4.6
133.06487	80.8
134.03598	10.5
134.05983	15.8
134.09636	8.1
134.55112	3.3
134.99657	10.6
135.04399	5.3
135.06372	2.2
135.96965	2.2
136.05211	18.8
136.07565	4.9
137.05983	21.5
140.04675	5.8
141.01851	13.7
141.06631	2.1
142.06541	4.1
142.08612	3.0
143.55739	12.5
145.06413	2.5
147.11273	2.9
149.02945	9.5
149.04695	2.7
150.03128	4.8
150.05499	28.5
150.56554	3.3
151.06276	30.1
151.07562	8.4
152.07031	6.4
153.96730	5.7
154.96463	4.6
159.04439	4.5
159.06664	4.2
159.07803	5.8
159.09209	9.3
159.11507	6.1
160.07579	89.7
161.05998	3.0
163.07513	3.1
164.07019	2.0
166.04927	3.6
166.08656	3.7
167.05789	7.1
177.02411	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	154.0861
Annotation	Dopamine
Peak:m/z	Relative Intensity
61.12247	0.2
65.03942	1.6
71.05262	0.4
79.05482	0.6
81.07055	0.9
91.05477	49.0
92.05796	1.2
103.65567	0.2
109.06494	2.1
110.06782	0.3
119.04938	28.4
120.05253	0.8
137.05972	100.0
138.06308	3.4
154.08621	0.5
166.54362	0.2
168.71646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0767
Annotation	L-Histidine
Peak:m/z	Relative Intensity
50.59983	0.2
54.03461	0.2
55.01875	0.4
55.05524	0.3
55.93536	0.4
56.05033	0.8
58.42007	0.2
67.05513	0.3
68.05028	1.0
70.06583	0.5
70.58903	0.4
70.59248	0.3
70.95865	3.3
71.94108	0.7
72.04525	0.2
72.08148	0.2
72.93786	2.6
81.04544	0.6
82.05318	2.8
82.06587	0.6
83.05020	0.3
83.06100	10.4
84.04510	0.2
84.08160	0.2
86.06062	0.2
88.96899	0.9
90.94827	0.6
91.05479	0.7
92.05756	0.2
93.04526	7.3
93.06125	0.4
93.07040	0.4
93.41559	0.2
94.04859	0.2
95.05083	0.3
95.06086	6.9
96.04489	0.2
97.02892	0.2
97.06562	0.3
98.09677	2.0
109.06444	0.2
110.07159	100.0
111.04430	0.3
111.05561	0.7
111.06835	0.3
111.07487	2.0
111.98465	1.2
112.07607	0.2
112.96697	0.3
113.96380	0.4
119.01904	0.6
119.04933	0.3
121.05578	0.3
121.06512	0.2
122.08218	0.2
126.09120	0.2
128.07094	0.2
129.99503	0.5
131.96100	0.2
131.97479	0.2
132.95813	2.6
133.03380	0.2
137.02940	0.3
138.06609	0.2
138.09175	0.2
139.05005	0.2
139.05353	0.2
139.06497	2.5
142.03481	0.3
149.97189	0.5
150.96843	5.8
155.97389	0.3
156.02802	0.2
156.06612	0.3
156.07668	9.1
156.10222	0.4
156.13841	0.5
157.01340	0.4
157.07977	0.2
157.10100	0.2
168.97954	0.2
173.98438	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	153.1273
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.00282	0.8
53.03931	1.1
55.01865	1.8
55.05509	14.0
57.03439	4.7
57.07058	2.2
58.79995	0.7
59.04985	1.2
65.03621	1.0
65.03936	12.6
67.05499	35.0
68.05827	0.8
69.03412	2.9
69.07064	56.7
69.51247	0.8
70.07399	1.4
70.94270	3.6
70.95864	1.1
71.04979	4.0
71.12344	1.5
71.94096	9.0
71.95265	4.2
73.21950	0.7
79.05488	32.2
80.04977	1.3
80.05840	0.8
81.07049	40.5
82.16701	0.7
83.04975	10.4
83.08608	5.7
85.02892	1.3
85.06529	2.7
86.95502	0.8
89.95128	0.9
91.05483	9.4
93.03422	4.6
93.07037	52.4
95.04954	2.9
95.07985	1.2
95.08598	22.9
97.02919	0.8
97.06524	20.8
105.07002	2.2
107.04954	5.3
107.08588	54.3
108.04539	1.1
108.05267	3.0
108.08918	1.7
109.06495	2.8
109.10148	37.4
110.03636	2.9
110.10489	1.1
111.04456	20.4
111.08064	9.0
111.11674	1.4
111.96874	1.9
112.04758	1.5
112.96709	2.6
118.44489	0.8
119.04922	1.1
125.05992	10.9
125.09545	1.1
126.06343	2.3
129.97894	1.2
130.97755	1.1
133.64561	0.8
134.65878	0.8
135.04396	1.4
135.06404	1.1
135.08063	1.9
135.11678	100.0
136.03877	1.1
136.04759	2.0
136.07556	1.7
136.11998	3.7
137.05959	6.0
138.03088	1.0
138.05019	1.2
148.97386	0.8
153.01854	1.4
153.04274	1.5
153.05464	8.2
153.07426	7.7
153.09114	2.8
153.12730	79.7
154.04950	4.3
154.08530	1.1
154.13086	2.9
154.15915	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	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15731	0.2
55.01876	0.2
65.03935	1.2
69.96158	0.4
71.15752	0.4
71.35916	0.2
71.94091	0.7
74.73817	0.2
79.05474	0.4
81.07051	0.8
91.05476	43.6
92.05812	1.4
94.04151	0.2
107.04967	0.3
109.06507	2.2
112.96741	0.3
119.04935	25.2
120.05247	0.9
131.36722	0.2
131.96161	0.8
137.05969	100.0
138.06308	4.6
149.97211	1.1
154.08627	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	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03935	1.4
53.14919	0.3
68.08665	0.3
69.44157	0.4
69.44498	2.7
70.24922	0.3
72.70001	0.3
77.03917	0.4
79.05490	15.4
80.05827	0.3
81.03413	3.2
82.06601	0.3
85.57045	0.3
89.03921	0.8
91.05459	0.6
92.05827	0.5
93.07039	0.4
95.04957	2.7
105.04510	0.5
106.06553	21.6
107.04951	100.0
108.05269	2.6
109.02876	8.9
110.03716	0.3
116.04972	0.4
117.03364	0.6
121.06499	4.1
123.04435	2.1
124.07561	0.6
125.05969	0.6
130.89973	0.3
134.06013	23.5
135.04411	49.5
136.04749	1.2
137.05920	0.3
147.01404	0.3
150.05531	0.3
152.07053	44.1
153.04099	0.4
153.05341	0.3
153.07364	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	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03947	1.8
65.90205	0.4
70.81992	1.1
72.83732	0.4
77.03925	0.7
78.97934	0.4
79.05492	16.3
80.05830	0.6
81.03418	2.7
89.03911	1.4
95.04964	3.6
103.03716	0.4
105.04506	0.7
106.06549	21.4
106.87158	0.4
107.04951	100.0
107.39520	0.5
108.05289	3.8
109.02874	7.7
123.04452	2.6
124.07546	0.5
124.26118	0.4
125.06020	0.5
134.06004	23.5
135.04407	41.7
136.04758	2.0
137.02328	1.2
138.03090	0.9
152.05710	3.0
152.07043	30.3
153.04060	1.1
153.05434	2.1
153.07402	0.9
154.07567	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	152.0705
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
51.02379	0.5
51.44295	0.4
53.03934	2.2
54.22959	0.5
55.01862	0.6
59.19696	0.5
65.03891	0.6
70.63599	0.4
70.91035	0.4
71.22811	0.8
77.03910	0.7
79.05487	15.8
81.03410	2.6
81.19315	0.5
83.97048	0.5
85.21255	0.4
89.03903	1.0
91.05483	1.0
93.07040	1.4
95.04964	3.2
103.05461	1.0
105.04507	0.8
106.06547	20.3
107.04949	100.0
108.05303	2.4
109.02871	6.7
110.03518	1.4
121.06509	11.5
123.04416	2.4
125.06025	0.6
128.04572	0.7
134.06003	23.1
135.03177	1.3
135.04407	44.8
136.04752	1.0
137.77925	0.5
144.04480	0.5
152.05705	7.7
152.07071	33.3
153.04085	2.3
153.05408	1.0
153.07372	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	152.0705
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03934	1.6
55.01875	0.4
65.03941	1.2
67.05492	0.5
69.07061	0.3
69.44421	0.5
69.44825	2.4
70.94242	0.5
73.15835	0.3
77.03932	0.4
78.68790	0.3
79.05489	15.1
79.94559	0.3
80.05016	0.7
80.05827	0.5
81.03403	2.3
81.07054	0.6
82.06574	0.5
83.04945	0.5
89.03922	0.9
91.05468	1.0
93.03416	0.6
93.07044	0.6
94.06573	0.7
95.04959	2.6
95.08685	0.3
96.04473	0.7
96.08119	1.1
97.06544	0.5
98.20777	0.6
105.04498	0.8
106.06550	22.0
107.04949	100.0
108.04518	0.6
108.05284	2.6
109.02873	7.3
109.10169	0.3
110.06038	0.7
111.04457	2.5
112.20538	0.3
117.03378	0.6
121.06509	0.6
122.06023	0.3
123.04420	1.4
124.03927	0.4
124.07574	2.0
125.06003	1.7
134.06009	23.5
135.04407	49.5
136.04710	2.3
137.05975	0.3
143.55823	0.3
148.07634	0.5
151.06334	0.4
152.01627	0.8
152.07059	46.2
153.05525	0.4
153.07394	1.3
166.48599	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	151.0753
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.69221	0.2
53.03944	0.7
54.72794	0.3
54.81525	0.3
65.03938	5.3
67.05511	0.5
68.93023	0.3
69.88931	1.7
70.92169	0.2
72.40185	0.3
77.03918	0.3
79.05477	2.7
80.06286	0.6
91.05476	100.0
92.05798	2.1
93.07056	0.5
95.04961	9.2
103.05468	0.9
105.04499	0.5
105.07014	0.7
106.06533	2.4
107.04947	13.4
108.05749	1.4
109.02866	1.1
109.06520	0.4
119.04933	52.1
120.05218	1.5
121.06497	3.3
123.04424	1.1
123.08060	1.0
133.02852	0.4
134.05995	3.6
135.04413	6.7
136.05188	10.0
137.05971	4.6
150.05467	0.7
151.03937	0.7
151.06340	1.5
151.07529	41.0
152.06981	5.9
169.20157	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	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
50.01575	0.1
51.02178	0.1
51.02393	0.2
53.00303	0.1
53.03938	0.9
55.01855	0.3
55.91952	0.1
63.60058	0.1
65.03936	0.2
67.04235	0.1
69.51165	0.1
71.15861	0.1
77.03913	0.6
79.05488	16.7
80.05012	0.3
80.05820	0.5
80.06224	0.1
81.03414	2.9
81.07050	0.1
82.03716	0.1
82.06570	0.1
89.03909	1.0
91.05495	0.2
92.05004	0.1
92.05822	0.1
93.07032	0.1
94.06545	0.1
95.04961	3.2
96.04502	0.2
105.03386	0.1
105.04513	0.8
106.06551	21.7
107.04947	100.0
108.05269	2.9
109.02871	8.7
110.03092	0.1
110.03681	0.1
110.06054	0.1
116.04974	0.3
117.03369	0.6
117.05759	0.2
120.04488	0.1
121.06479	0.9
122.06005	0.1
123.04416	2.1
124.07584	0.2
125.06013	0.5
133.05206	0.1
134.06007	24.1
135.04402	43.3
136.04732	1.4
144.05554	0.2
145.03951	0.2
147.01381	0.2
148.07567	0.1
152.07051	35.1
153.04080	0.2
153.05428	0.2
153.07387	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	151.0754
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02374	0.5
53.03939	1.4
55.01874	0.5
56.96589	0.3
63.02391	0.3
64.61919	0.3
65.03932	5.5
67.05495	0.9
68.05042	0.4
68.99796	0.5
70.95604	0.6
70.95945	0.6
76.96102	0.3
77.03941	0.5
78.04697	0.4
79.05491	5.7
79.98936	0.3
80.05011	0.8
80.06277	1.2
81.03419	0.9
81.04516	0.3
81.07050	0.8
89.03921	0.4
91.05479	100.0
92.05796	2.8
93.03387	0.5
93.07047	0.8
94.06583	1.0
95.04963	10.4
95.08614	0.5
96.04437	0.3
103.05475	0.9
105.04523	0.4
105.07056	1.1
106.06549	5.7
107.04953	25.4
108.05736	1.6
108.85172	0.3
109.02878	2.4
109.06506	0.6
109.07702	0.4
109.10169	0.4
110.03548	0.8
111.04456	1.1
118.04175	0.4
118.06636	0.4
119.04937	51.2
119.54507	0.3
120.05261	1.8
121.06499	3.8
122.06021	0.9
123.04430	2.7
123.06816	0.4
123.08111	1.4
124.05145	0.4
124.07634	0.5
130.83423	0.3
132.04405	0.5
133.02837	0.9
134.06017	8.3
135.02977	0.7
135.03198	0.5
135.04408	14.5
136.05197	11.2
137.05983	5.3
150.05498	1.3
151.04002	1.9
151.06232	3.6
151.07524	41.1
152.05685	3.2
152.07060	11.7
153.04060	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	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02362	0.6
53.03930	1.9
55.01873	6.8
55.05500	2.2
64.63747	0.6
65.03939	50.1
66.04267	0.9
67.05503	3.2
67.05820	0.5
68.99793	1.2
69.03422	1.1
70.76292	2.0
78.04713	0.7
79.05494	17.8
80.05010	0.8
81.03434	0.8
81.07042	2.3
85.04831	0.9
89.03909	4.5
89.51643	0.6
91.05477	20.6
92.05828	1.2
93.03400	11.7
93.05782	0.9
93.07037	15.0
94.06572	1.6
95.04957	3.2
96.97569	0.5
98.03652	2.3
103.05469	4.1
104.04993	1.7
105.03376	0.9
105.04531	0.6
105.07030	18.4
107.04962	10.2
107.08590	17.4
108.04461	1.8
109.06519	1.6
111.04431	8.9
116.06239	1.8
117.03389	2.5
119.08577	1.9
121.02859	56.0
121.03963	12.6
121.06480	7.5
121.09378	0.8
121.10106	4.2
122.03187	2.4
122.06027	3.7
122.07117	1.0
123.08031	0.8
129.07019	1.3
131.04932	1.7
131.08554	10.8
132.04459	4.4
133.06471	0.8
133.07504	0.8
134.03607	1.3
149.02338	100.0
149.05946	4.1
149.09618	22.0
150.02690	5.3
150.05515	4.7
150.10040	1.6
155.15475	0.6
167.03386	1.5
169.03479	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	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02362	0.9
53.03948	4.0
53.04137	0.7
55.01873	3.4
55.05492	1.4
56.96532	0.7
59.19839	0.7
62.73825	0.7
65.03936	51.8
66.04266	1.5
67.05505	1.6
68.99803	0.9
69.03423	4.0
70.63495	2.3
77.03906	0.9
78.04715	1.6
79.05026	0.9
79.05486	14.7
80.05016	1.0
81.07043	2.0
89.03915	7.2
91.05476	46.9
92.05771	1.3
93.03391	11.2
93.05776	0.8
93.07032	21.2
94.06574	1.6
95.04959	5.1
95.06059	0.8
98.03670	3.0
103.05456	8.9
104.04988	1.5
105.03388	1.0
105.04503	1.2
105.07024	31.5
106.07813	2.3
107.04945	1.8
107.08559	3.6
108.04475	0.9
109.06500	5.0
109.07599	1.2
110.08363	1.6
111.04443	10.3
115.05450	5.3
116.06232	19.3
117.03369	2.2
119.04928	0.9
119.08588	5.3
121.02855	58.0
121.03957	13.3
121.06487	15.5
121.10136	26.5
122.03165	1.9
122.06007	4.1
122.07104	1.1
123.08049	5.8
123.08918	0.8
128.06174	1.2
129.07031	6.8
131.04846	1.4
131.08556	19.4
132.04462	4.8
132.08926	0.9
133.06560	1.4
133.07610	2.4
134.03645	1.0
134.07249	4.8
147.08046	3.4
149.02332	100.0
149.05948	4.9
149.09607	57.2
150.02669	5.9
150.03694	1.1
150.05479	5.8
150.10112	4.1
167.03450	1.2
169.03423	1.8
169.46133	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	147.1167
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03939	1.5
55.05511	8.6
61.19479	0.9
65.03932	7.7
67.05512	1.6
69.07050	2.1
69.97899	3.3
72.08173	1.7
73.08472	1.4
73.94196	0.7
79.05505	4.7
81.07085	1.3
84.04505	14.9
84.08134	1.9
91.05479	100.0
92.05801	4.6
93.07035	1.7
95.04953	1.0
98.20831	1.1
102.05516	0.9
103.05469	3.0
105.07029	55.3
106.07364	2.1
107.04988	1.0
107.08582	4.5
116.06255	0.9
117.07038	8.4
119.04941	69.1
119.08580	62.2
119.09480	0.7
120.04451	3.3
120.05299	4.0
120.08094	1.1
120.08894	3.7
121.07680	0.7
122.29503	0.8
123.96498	0.7
126.75887	0.7
128.06267	1.4
129.06972	1.6
130.02876	1.0
130.05003	2.2
131.08548	0.8
132.05692	1.2
132.09354	2.2
133.08931	0.7
144.87637	0.7
145.10115	5.6
145.31216	0.7
147.04414	33.5
147.08044	6.6
147.09123	1.6
147.11687	31.4
148.03838	4.6
148.04941	1.7
148.07597	1.6
148.08688	1.1
148.12082	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	149.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01876	2.0
55.05507	0.9
58.26951	0.4
63.02366	0.8
65.03937	55.0
66.03484	0.5
66.04269	2.1
67.05503	1.2
68.99783	1.2
69.03427	0.6
69.07052	0.8
70.51646	1.6
70.51997	0.5
71.01366	0.4
77.03913	0.4
78.04706	3.5
79.05482	6.3
80.05009	1.1
81.04536	0.8
81.07059	2.3
83.04988	0.5
84.03831	0.4
89.03914	17.6
91.04905	0.5
91.05477	10.2
92.05824	0.5
93.03402	12.4
93.05777	0.9
93.07033	10.0
94.06570	2.0
95.04961	2.7
95.06063	0.4
98.03671	2.6
103.05462	4.0
104.04969	2.2
105.03377	1.6
105.04497	1.1
105.07025	5.5
106.04163	2.5
106.07857	0.5
107.04953	4.2
107.08589	3.8
108.04475	1.1
108.08157	0.4
109.01144	0.6
109.06504	0.9
109.07642	0.9
110.08392	1.5
111.04436	10.4
112.04794	0.4
115.56237	0.4
116.06236	0.8
117.03382	7.8
119.08571	1.2
119.28931	0.4
121.02863	60.2
121.03962	14.1
121.06480	5.4
121.09318	0.8
121.10126	6.6
122.03195	2.2
122.04400	0.5
122.06018	4.5
122.07108	1.6
123.08064	0.8
124.05274	0.8
126.05524	0.5
131.04948	1.9
131.08560	1.4
132.04472	4.5
132.05434	0.6
133.06459	0.4
133.07547	0.5
134.03632	4.9
135.04405	1.8
149.02335	100.0
149.05959	12.0
149.08250	1.3
149.09615	12.0
149.13257	1.1
150.02689	5.2
150.03738	0.8
150.05467	6.0
150.06520	0.6
150.09064	0.5
150.10172	1.2
167.03407	1.7
167.40302	0.4
169.03499	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03947	0.8
55.05498	2.0
56.05031	0.5
64.92804	0.8
65.03941	12.1
67.05502	0.7
69.07056	1.2
69.73380	3.1
76.03140	0.8
79.05487	1.8
84.04503	8.3
84.08140	1.2
89.03900	1.4
91.05478	100.0
92.05805	3.3
93.07059	0.9
99.08351	0.5
101.49975	0.6
102.05496	0.6
103.05474	1.3
104.06257	0.7
105.07025	14.2
107.08590	1.1
112.54449	0.5
117.06984	3.3
119.04935	83.7
119.08572	22.9
120.04446	1.3
120.05276	3.3
123.96458	0.5
129.07057	1.0
129.68550	0.5
130.04991	1.6
132.05728	0.5
132.09322	0.9
145.10091	1.4
147.04407	37.6
147.05443	1.5
147.08055	3.5
147.11681	10.6
148.03809	1.3
148.04791	1.7
148.07483	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	147.0764
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
56.05035	4.5
70.90736	1.1
72.08148	0.6
73.08485	0.4
79.69357	0.4
84.04501	100.0
84.08138	3.8
85.01150	0.4
85.02900	1.5
85.04836	1.6
87.61732	0.3
87.76935	0.4
91.05482	1.0
92.12756	0.4
101.07138	1.9
102.05548	6.0
118.05551	0.4
119.04948	1.7
130.04990	20.2
147.07680	0.5
148.06047	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	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03942	2.4
55.01863	0.9
55.05512	13.7
56.05042	1.0
57.38978	0.7
65.03934	9.8
67.05490	3.0
69.07065	4.6
69.66292	4.8
72.08156	1.4
73.08472	1.2
79.05483	6.6
80.69061	0.7
81.07037	1.6
84.04502	23.8
84.08113	1.7
91.05475	100.0
92.04993	3.1
92.05808	4.5
93.07047	3.0
95.04942	2.5
98.20792	0.8
102.02872	0.8
102.05543	2.0
103.05458	5.9
104.06244	0.8
105.07025	81.8
106.07312	4.0
107.08586	3.7
116.06239	1.4
117.07009	9.1
118.06570	1.0
119.04939	53.2
119.08572	86.3
120.04451	6.5
120.05302	3.5
120.08116	1.4
120.08900	4.8
129.05298	1.0
129.07014	1.8
130.04959	4.3
131.08571	1.9
132.05672	1.1
132.09315	2.3
145.10104	6.5
147.04422	22.4
147.05470	1.2
147.06369	3.3
147.08081	3.8
147.11679	38.9
148.03835	5.9
148.07555	2.7
148.08641	1.5
148.10971	0.7
148.12044	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	146.06
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.73084	0.6
58.06586	0.8
64.30861	0.6
65.03959	0.6
69.40324	5.2
72.08148	7.9
84.08125	1.5
87.59637	0.6
89.66533	0.6
91.05479	27.1
99.63421	0.7
103.05442	0.8
112.11242	2.6
113.38382	0.6
113.77621	0.7
117.05760	4.8
118.06541	100.0
118.97221	0.6
119.04968	1.4
119.06886	3.9
128.04962	17.8
129.38736	0.6
146.06007	57.5
147.04424	1.0
147.06349	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	146.1652
Annotation	Spermidine
Peak:m/z	Relative Intensity
50.21018	0.4
51.72644	0.3
55.05499	0.9
56.05027	1.3
58.06602	8.7
58.45184	0.4
59.05000	0.4
60.04513	0.5
65.03931	0.9
66.17147	0.4
67.05507	0.7
70.06595	1.3
70.64265	1.1
71.04974	0.7
72.05322	0.6
72.08153	100.0
73.08502	2.3
73.08829	0.4
75.09242	3.1
78.73289	0.4
82.06590	0.6
84.04473	0.7
84.08141	41.2
85.08443	0.4
86.06074	0.7
87.05653	0.4
88.07639	0.7
91.05482	7.8
100.02500	1.1
100.04797	1.0
100.07637	1.2
103.00604	0.5
103.02471	0.6
103.05455	0.4
104.90778	0.4
105.07011	1.1
112.11238	23.5
112.54221	0.4
113.11567	0.8
118.03538	1.3
118.04982	0.8
118.06532	2.0
119.01939	1.0
119.04944	5.8
119.05865	0.6
119.08588	1.7
120.02067	0.7
121.01657	3.0
121.03557	0.4
122.01202	0.8
122.01976	0.9
122.49538	0.4
123.02139	0.9
129.10310	0.7
129.13861	3.9
130.08630	2.6
130.28416	0.4
137.02937	0.5
138.03067	0.6
139.02739	1.2
140.02170	0.4
140.03142	1.0
141.05119	1.9
142.03522	0.5
146.06018	1.7
146.07156	0.4
146.08139	2.2
146.16534	1.6
147.04372	2.1
147.05450	0.5
147.08025	0.5
159.06122	2.3
160.04558	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	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
51.02382	0.2
52.56267	0.2
53.03942	1.6
55.01868	1.0
56.05024	0.9
57.03428	0.9
58.06590	1.2
59.06123	1.1
59.07366	0.6
60.04523	0.3
60.98717	0.2
62.92977	0.3
69.03416	0.8
70.06601	1.2
71.04990	3.6
71.56265	0.4
78.99733	0.2
80.05002	0.4
80.78886	0.2
81.03413	1.5
82.06551	0.3
84.04494	2.2
84.08141	1.8
85.02891	2.1
85.04026	0.2
85.07655	0.2
86.06055	0.3
89.03910	1.0
91.05474	3.9
95.04964	0.5
97.00809	0.4
97.02870	0.2
97.07658	0.3
98.06062	1.5
98.09682	0.3
99.04449	9.3
101.07138	0.5
103.05467	3.7
104.04957	0.3
105.07052	0.3
109.07621	0.7
113.02948	0.3
115.05451	9.0
116.04996	0.5
116.06296	0.4
116.07040	0.2
117.03368	0.3
117.05807	3.1
117.07011	23.3
118.06555	0.5
118.07365	0.9
119.04956	0.2
120.05745	0.4
120.97947	0.3
121.00764	0.3
121.61521	1.0
121.96576	0.3
126.05567	0.2
127.03958	1.3
127.05466	1.1
127.08698	0.2
128.04973	2.5
128.06178	0.8
129.06558	0.2
134.05989	0.6
139.01825	1.2
142.06541	0.7
143.07298	19.1
144.03755	2.3
144.08075	100.0
144.61723	0.5
145.04996	0.7
145.06509	4.8
145.08405	5.2
146.05994	0.9
155.06032	4.5
156.06371	0.3
160.07620	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.2
55.01657	0.8
55.01873	8.3
55.05497	1.3
56.05042	1.3
57.03431	8.4
58.06581	2.6
62.92972	2.8
65.03949	1.0
65.70822	1.0
67.05494	2.5
69.03432	7.3
71.01361	2.5
71.04990	37.3
71.51171	1.5
72.05321	1.3
72.08148	12.3
78.35950	0.9
79.05473	5.0
81.03417	13.4
82.06566	2.1
84.08144	2.5
84.99279	1.4
85.02905	12.4
86.06054	3.0
86.09707	1.7
87.00819	1.7
89.03905	8.4
91.05479	54.2
97.02862	3.6
99.04453	92.2
100.04766	3.0
100.07632	1.7
101.02382	2.0
102.04684	2.2
103.05486	7.1
103.54251	0.9
105.07028	79.5
106.07348	3.3
112.11242	2.0
115.03928	2.3
115.05450	26.2
116.06300	5.2
117.03371	4.5
117.05821	4.9
117.07012	62.0
118.06540	100.0
118.07281	3.4
120.05683	1.9
121.61523	1.4
121.96669	5.8
121.97370	1.1
127.03916	15.0
127.05380	1.6
128.04941	1.5
128.06206	8.4
128.07050	2.0
129.07007	14.8
129.13858	1.2
130.07780	54.5
131.08089	2.0
137.85196	1.4
143.08559	13.2
145.03926	2.4
145.04964	7.1
145.06468	22.0
145.10117	98.6
146.06001	19.2
146.07054	1.7
146.08115	3.1
146.10442	4.7
155.06065	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70663	1.6
60.12351	1.9
66.35021	1.9
71.02710	3.7
71.03069	2.8
88.67493	1.8
100.02489	3.5
101.00864	17.1
106.22816	1.9
118.03517	12.8
119.01919	100.0
120.02001	3.1
124.41228	1.7
136.04570	13.1
137.02965	40.6
137.04037	2.6
138.32310	1.8
142.03503	20.8
143.03413	3.7
160.04572	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.5
53.03921	1.2
54.03467	0.9
55.01862	2.8
55.05506	2.7
56.05033	7.2
56.96540	0.7
57.03416	0.7
57.04545	1.2
57.07049	0.4
58.02943	1.6
58.05328	1.0
58.06594	5.9
59.05000	0.5
59.05833	0.7
59.06122	10.9
59.93098	2.0
60.04521	10.0
62.76658	0.4
65.03924	0.5
67.02979	1.2
67.05483	0.5
68.04684	0.4
68.05019	5.1
69.03426	10.5
69.04520	0.5
69.05801	0.4
69.07061	5.1
69.71369	2.8
70.02957	0.4
70.06589	3.1
71.01335	0.8
71.04977	0.8
71.06106	1.1
71.08628	21.6
72.04504	1.4
72.06884	1.7
72.08150	1.5
72.08950	0.7
73.07677	0.5
74.06066	2.4
75.05614	2.7
79.05495	3.1
80.04990	1.5
81.03381	0.4
81.04524	1.4
81.05776	0.6
81.07055	1.0
82.02934	0.9
82.06593	2.2
83.01361	0.8
83.04977	0.7
83.06100	8.5
83.08604	0.8
84.04501	6.0
84.06887	0.6
84.08141	1.8
85.04000	0.8
85.07659	2.9
86.06065	2.4
86.08453	4.0
86.09692	0.7
91.05487	0.7
95.06092	1.4
96.04473	1.3
96.08124	6.6
97.02891	11.5
97.03936	0.6
97.06533	4.1
97.07641	5.0
98.06061	0.9
99.05579	3.4
99.09193	0.8
100.03987	0.5
100.07587	1.1
100.08720	2.3
100.18570	0.3
101.07135	6.5
101.95034	1.0
102.05524	0.4
107.06102	0.8
110.07195	0.5
111.07886	0.4
112.03943	0.4
112.08736	2.2
114.02697	0.5
114.09164	9.9
115.05452	1.4
115.08673	1.2
118.96756	4.1
119.01883	1.0
119.96047	0.7
124.03980	0.5
124.05050	0.5
124.07609	1.2
124.08684	1.7
125.02347	10.4
125.03303	0.8
125.05978	2.4
125.07108	3.8
125.10766	0.6
128.01065	0.6
128.06229	1.9
137.02968	0.5
137.97073	0.8
141.06999	0.6
142.02240	0.6
142.05083	1.9
142.06024	0.7
142.08627	6.7
142.09756	13.2
142.12187	0.6
143.03387	100.0
143.10149	0.6
150.95728	0.5
155.05978	0.4
155.98276	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03942	0.6
58.06595	0.2
65.03939	1.3
67.05500	1.2
69.80816	0.3
69.81242	0.4
71.64265	0.1
72.55408	0.1
75.60891	0.1
78.03444	0.4
79.04230	0.4
81.03869	0.1
82.06584	0.1
84.08150	0.1
92.05001	4.2
93.05786	1.2
94.06562	21.0
95.06892	0.5
96.04492	3.4
105.01405	0.1
110.06032	17.2
111.04442	0.3
111.06371	0.5
112.06542	0.1
136.03964	0.2
138.05489	100.0
139.05841	4.0
141.78900	0.1
154.04977	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00301	0.5
53.03947	2.8
54.03466	1.3
55.01870	7.3
55.05507	4.2
55.10034	0.4
56.03791	0.4
56.05032	4.3
56.96563	5.3
57.04545	0.6
57.93547	1.5
58.06603	0.6
59.04993	0.6
59.06110	1.3
61.74481	0.4
65.03938	21.9
66.04272	1.0
66.83735	0.4
67.01865	4.2
67.05502	6.5
68.05021	1.0
68.05811	0.5
68.99789	11.1
69.03421	5.8
69.04534	0.8
69.07062	1.3
69.66808	0.8
69.67215	2.0
70.06569	0.6
71.01360	2.1
71.04990	0.7
71.06118	1.5
71.95255	1.3
72.04514	0.6
79.05492	1.2
80.04988	0.7
81.04546	1.6
82.02919	1.0
83.04979	10.9
83.06078	2.7
84.04503	1.1
84.08123	0.6
91.05473	1.4
93.03397	12.8
93.07050	2.5
94.06568	0.8
95.04967	4.4
95.06077	2.5
95.08610	1.2
96.04530	0.5
96.05616	2.2
97.02902	3.7
97.06448	2.5
97.07618	0.8
98.07175	5.2
98.68960	0.4
98.97575	11.7
98.98470	3.1
99.05581	2.2
111.04435	40.9
111.08101	0.6
112.03980	0.8
112.04743	1.1
112.08733	1.1
113.07133	1.3
116.97256	3.7
116.98613	10.8
121.02850	3.2
121.03951	1.0
121.06490	0.6
121.10098	0.9
122.06237	0.5
122.07144	3.3
123.05552	4.4
125.02335	0.5
134.99644	7.3
139.03894	100.0
139.09760	3.9
139.11182	0.9
140.00102	0.7
140.03305	1.0
140.04285	3.4
140.08156	5.7
141.06540	0.8
153.00697	1.5
158.01320	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	137.1324
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03951	1.6
55.05508	5.7
57.07075	13.7
58.07404	0.4
65.03948	3.4
67.05504	28.8
68.05824	0.8
69.07074	7.4
70.20306	2.0
75.50040	0.4
79.05492	9.9
81.03396	0.6
81.07055	71.9
82.07398	2.2
91.04906	1.0
91.05479	18.0
92.05006	0.5
92.05804	1.1
93.07039	8.3
94.04195	3.2
95.02157	0.4
95.04983	1.0
95.08604	100.0
96.04533	0.6
96.08926	4.0
96.13628	0.5
97.06405	1.1
102.89260	0.4
107.08611	1.4
108.09381	1.3
109.06523	1.5
109.10168	7.6
109.10867	0.9
110.06033	1.1
110.07185	0.6
119.04955	5.1
119.08584	0.6
120.04460	0.9
122.03641	3.4
122.10914	0.6
135.11702	0.5
137.02507	2.0
137.05965	9.1
137.09604	1.7
137.13252	12.0
138.01758	0.5
138.05489	2.0
138.06433	0.9
138.09177	0.5
138.13562	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	137.1324
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03936	2.2
55.05508	5.4
55.52828	0.5
57.07076	13.3
62.98690	0.5
63.91325	0.6
65.03947	3.4
65.22108	0.5
66.04727	0.7
66.91402	0.5
67.05503	29.1
68.05823	1.3
69.07066	6.8
69.61168	1.7
69.61593	2.7
70.04865	0.5
71.08624	0.6
78.09096	0.5
79.05492	9.5
79.05926	1.1
80.06280	0.8
81.03438	1.0
81.07054	64.2
82.06581	1.3
82.07359	2.8
91.05479	32.7
92.04976	0.7
92.05812	1.9
93.07041	8.3
94.04179	4.5
94.06571	1.0
95.04959	2.4
95.08604	100.0
96.04488	1.6
96.08932	4.5
97.06397	1.3
98.04225	0.5
98.04869	0.5
107.08601	1.9
108.09389	1.3
109.06509	3.6
109.10154	10.6
110.06036	1.8
110.07159	1.1
119.04948	8.1
119.08624	0.6
120.04467	2.4
122.03645	4.1
122.07293	0.9
122.10873	0.7
137.02519	3.6
137.05966	14.8
137.08125	0.7
137.09636	3.3
137.13257	11.6
137.14265	0.9
138.01746	1.5
138.05505	5.5
138.06378	1.3
138.09146	1.1
152.04939	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02386	0.5
52.18596	0.5
53.03940	1.7
55.01862	1.2
55.05510	2.7
56.96559	0.7
57.07065	1.7
64.16424	0.5
65.03939	9.3
66.04729	2.4
67.05502	27.6
68.05015	0.8
68.05825	0.6
69.03422	2.0
69.04530	0.8
69.07056	2.1
70.84129	1.0
72.04529	0.8
77.03908	0.8
79.05490	8.3
80.05016	0.7
81.03411	1.9
81.04536	3.2
81.07053	22.8
81.54543	0.4
82.06573	1.4
83.06071	0.7
84.08154	0.6
91.05477	100.0
91.96954	0.5
92.05807	3.5
92.06298	0.5
93.07041	6.3
94.04185	14.5
94.04786	0.7
94.06548	1.2
94.07841	0.6
95.04981	3.9
95.06104	1.2
95.08602	23.1
96.04480	1.0
96.05621	1.3
96.08934	0.7
97.06396	5.9
97.07666	0.7
98.04758	0.7
103.05449	0.9
104.06223	0.6
105.04493	1.0
107.04952	12.7
107.08589	2.0
108.05313	0.6
109.02853	1.1
109.06518	8.5
109.09393	1.1
109.10148	21.4
110.06074	2.3
110.07182	3.6
110.09761	0.5
110.10466	1.1
111.05569	1.9
117.07003	1.1
119.04940	27.7
119.08578	9.1
120.04446	1.5
120.05244	1.1
121.06512	5.3
122.03650	20.4
122.07285	50.1
123.04002	0.8
123.06786	0.8
123.07615	1.8
135.08051	3.2
137.02504	4.8
137.05971	55.5
137.08055	2.8
137.09608	50.0
137.13245	1.5
138.01714	1.7
138.05476	5.9
138.06468	3.0
138.09087	1.4
138.10069	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.00306	0.6
53.03945	3.1
53.49868	0.4
54.03475	1.3
54.77060	0.5
55.01872	3.1
55.05512	5.3
56.03770	0.9
56.05038	0.6
57.03436	0.7
57.07069	0.8
59.05003	0.9
62.40894	0.5
65.03941	8.1
66.04720	1.5
67.05506	40.0
68.05029	1.3
69.03432	1.4
69.04555	1.4
69.07064	3.8
69.49888	3.5
70.06583	0.5
72.04494	1.1
77.03928	0.6
79.05492	10.8
80.05019	0.8
81.03002	0.6
81.03426	3.7
81.04539	5.3
81.07055	21.1
82.06581	1.6
83.04989	2.0
83.06107	1.3
84.08161	0.7
85.34576	0.5
89.87085	0.5
91.05481	100.0
92.05819	4.4
93.04523	0.5
93.07047	10.5
94.04187	9.4
94.06553	1.7
95.04382	0.9
95.04973	16.0
95.06077	1.5
95.08606	16.5
96.04482	1.2
96.05623	1.6
96.08921	0.6
97.03996	0.5
97.06402	7.8
97.07002	1.0
97.07672	0.7
98.04774	1.1
103.05447	1.4
104.06248	0.9
105.04494	1.0
105.07032	4.0
107.04956	3.0
107.08595	9.6
109.02876	0.8
109.05343	0.6
109.06515	14.2
109.07652	1.1
109.10155	15.2
110.06010	2.0
110.07184	5.7
111.05563	2.2
115.05441	0.6
117.07000	3.8
119.04943	22.7
119.06159	0.9
119.08584	13.9
120.04448	2.0
120.05352	1.3
121.02852	0.6
121.06459	2.3
121.07648	0.8
122.03648	9.8
122.07279	7.0
123.06792	0.5
123.42579	0.5
127.03944	0.6
137.02473	4.7
137.05975	35.7
137.08240	3.1
137.09616	66.2
138.01727	1.1
138.05473	5.6
138.06519	3.9
138.09085	0.9
138.10036	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.34942	0.4
51.40797	0.3
53.03941	1.2
55.01865	0.4
55.26410	0.4
55.84425	0.4
63.53910	0.5
64.06725	0.4
65.03934	1.4
66.04716	7.2
67.05497	0.6
69.03442	0.4
70.64294	0.8
77.03922	0.9
77.81165	0.4
79.05491	4.8
81.07069	1.8
91.05471	3.6
94.04180	47.7
95.04492	1.1
95.04979	1.3
105.03363	0.6
107.04939	1.9
109.06517	0.8
122.03642	67.7
123.03956	3.0
135.04419	0.6
137.05968	100.0
138.06303	4.4
155.45810	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02378	0.9
53.00301	0.5
53.03951	5.3
55.01862	2.9
55.05508	5.1
57.03424	1.0
57.07085	0.9
60.01478	0.5
65.03939	8.8
66.04716	2.0
67.05503	43.4
68.05029	1.2
68.05824	1.0
69.03429	4.4
69.04544	1.3
69.07053	2.8
69.85513	0.6
70.97579	1.3
72.04539	0.6
77.03931	1.6
79.05489	11.8
81.03416	4.5
81.04530	3.2
81.07053	30.4
81.36687	0.6
82.06553	0.9
82.07363	0.7
83.04958	2.0
83.06107	1.1
91.05479	100.0
92.05815	4.5
93.04514	0.6
93.07040	18.1
94.04182	15.1
94.06571	1.5
94.07334	0.9
94.07855	1.5
95.04965	13.8
95.06079	1.0
95.08603	15.8
96.04463	0.6
96.05696	1.3
97.06413	4.8
97.07675	0.7
98.04804	1.4
103.05477	1.5
104.06284	0.9
105.04514	1.7
105.07039	0.6
107.04951	15.5
107.08599	3.9
108.05750	1.5
109.06514	41.2
109.10155	32.0
110.06036	2.2
110.07194	3.1
110.10482	1.4
111.04443	0.7
111.05555	1.3
117.07004	2.4
119.04940	22.7
119.06027	2.0
119.08582	10.5
120.04486	1.0
120.05324	0.9
121.06513	5.6
122.03647	18.1
122.07284	52.2
123.06819	1.1
123.07657	1.8
135.08046	2.3
137.02501	3.7
137.05972	45.5
137.08258	2.5
137.09610	53.5
137.13203	1.4
138.01785	1.1
138.05484	5.8
138.06461	3.8
138.09088	1.4
138.10023	2.3
147.56639	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	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
55.01856	0.2
58.43954	0.2
63.02364	0.3
65.03939	6.4
71.16029	0.3
71.16350	0.5
79.05486	1.5
81.07053	2.6
84.49015	0.3
91.05475	100.0
92.05809	3.6
94.04167	0.5
94.06532	0.3
109.06506	2.5
110.06100	0.3
110.06861	0.3
119.04934	33.8
120.05270	1.5
137.05965	27.9
138.05478	3.1
138.06358	0.7
140.46249	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	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02366	0.2
53.03970	0.2
65.03937	5.5
66.04288	0.2
68.99770	0.2
71.18447	0.3
79.05496	1.1
80.69598	0.1
81.07056	2.4
89.03905	0.1
91.05478	100.0
92.05810	3.0
94.04185	0.4
107.04987	0.4
109.06512	3.0
119.04935	38.0
120.05282	1.3
121.06508	0.4
137.05969	33.9
138.06323	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	137.0597
Annotation	m-Methylbenzoate
Peak:m/z	Relative Intensity
51.02380	0.4
53.03948	2.4
55.01870	1.2
55.05509	1.0
57.07078	1.3
65.03939	4.3
66.04719	6.7
67.05501	8.1
69.03400	1.0
69.07062	1.2
69.27676	0.3
69.32634	0.3
69.53163	2.1
69.53577	0.6
72.41187	0.4
77.03930	0.9
79.05490	7.0
79.15526	0.3
80.04995	0.5
81.03420	1.6
81.07051	13.1
82.06580	0.7
82.07367	0.4
82.63250	0.4
83.55824	0.3
91.05476	42.5
92.05826	1.4
93.03416	0.4
93.07039	2.3
94.04182	46.5
94.06567	0.8
95.04482	0.9
95.05000	3.5
95.08601	12.7
96.04465	0.9
96.08965	0.4
97.06428	0.4
98.21613	0.4
105.03377	0.9
107.04959	2.5
109.02822	0.6
109.05328	0.5
109.06516	4.1
109.10165	1.9
110.01379	0.5
110.06038	2.6
111.04536	0.4
113.28971	0.4
119.04940	10.6
119.08584	0.8
120.04436	1.3
120.05255	0.8
121.06503	0.5
122.03641	63.1
122.07252	2.3
123.03983	2.0
123.06816	0.5
135.04434	0.4
137.02544	4.6
137.05968	100.0
137.09564	4.9
137.13243	1.1
138.01756	1.4
138.05463	3.2
138.06349	4.1
138.09132	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	136.0758
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03961	0.6
54.03455	0.4
55.01865	0.6
56.96576	0.4
60.52687	0.3
63.02352	0.3
65.03943	4.9
67.05505	1.6
68.05026	1.3
69.03436	0.4
69.04534	0.4
71.29617	0.7
79.05490	2.4
80.05024	1.5
80.84858	0.4
81.03422	0.5
81.04549	0.9
81.07063	3.9
82.06656	0.4
91.05481	100.0
92.05801	2.0
93.05798	1.2
93.07056	1.2
94.04085	2.9
94.06591	1.0
95.04968	1.6
95.06103	1.2
95.08588	1.8
96.06888	1.2
97.06401	0.8
107.04954	2.4
108.04504	0.7
108.05223	0.6
108.08141	3.2
109.01110	1.4
109.02918	0.7
109.06508	3.8
109.07625	1.7
110.07162	0.8
118.06548	3.1
119.03648	4.4
119.04939	29.1
122.03652	1.0
136.01108	0.6
136.02164	13.8
136.03955	1.6
136.06190	39.3
136.07570	16.7
136.08652	1.9
136.11201	0.5
137.02405	1.4
137.04604	3.8
137.05978	17.0
137.08076	1.0
137.09604	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	137.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00107	0.1
63.02354	0.1
65.03937	7.1
66.04276	0.2
71.16023	0.2
71.16358	0.2
74.19215	0.1
79.05487	1.3
81.07063	1.7
91.05477	100.0
92.05809	3.4
94.04190	0.4
94.06570	0.4
95.70245	0.1
97.46940	0.1
107.04976	0.3
109.06516	2.7
110.06027	0.2
119.04935	30.9
120.05267	1.1
120.11707	0.1
121.06521	0.2
137.05968	25.8
138.05478	2.8
138.06339	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	136.0757
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02378	1.6
53.03944	14.7
54.03470	1.5
55.01867	1.2
55.05500	1.2
61.59222	0.7
63.60346	0.7
65.03941	8.2
65.54037	0.8
66.04695	1.2
67.05502	6.1
68.04748	0.7
68.05034	8.3
69.03420	2.0
69.04530	0.9
70.02931	1.2
70.82990	2.4
77.03924	2.9
78.04725	0.9
79.05500	6.5
80.05017	4.5
80.05817	1.8
81.03391	2.4
81.04527	2.9
81.07053	11.8
82.06568	1.7
83.06100	1.0
86.39839	0.8
91.05479	100.0
92.05809	3.3
93.05772	7.7
93.07040	20.5
94.04187	7.1
94.06547	2.2
94.07376	3.6
95.04960	21.9
95.06085	4.6
95.08602	6.4
96.04458	1.2
96.05645	1.3
96.06859	7.0
97.06403	3.8
105.04507	6.0
106.06569	0.8
106.07318	1.6
107.04970	2.5
107.08618	1.6
108.04476	2.7
108.08114	9.9
108.08923	5.2
109.01098	5.1
109.06510	5.4
109.07639	6.9
109.10143	2.5
110.07185	4.0
118.06541	1.8
119.03560	1.2
119.04932	17.4
119.06034	2.1
121.06524	1.0
122.03645	9.7
122.07274	3.7
126.05510	7.1
136.02162	53.8
136.03914	2.9
136.05190	1.9
136.06204	15.0
136.07571	75.2
136.08658	11.2
136.12076	1.8
137.02470	3.9
137.05974	32.8
137.07884	4.2
137.09572	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.73383	0.5
50.89512	0.6
52.00395	0.6
52.43753	0.6
53.03945	6.9
55.01856	2.2
55.05507	9.7
57.07076	1.2
64.61002	0.6
65.03941	4.5
65.64874	0.7
67.05505	5.3
68.05029	3.8
69.03418	1.1
69.07064	4.8
70.86685	0.6
77.03931	1.8
79.05491	31.0
80.05042	0.9
81.07045	4.4
87.05552	0.8
89.03897	1.4
91.05476	50.7
92.05797	1.3
93.07037	61.6
94.07354	1.7
94.07864	1.2
95.04964	12.5
95.06062	1.7
96.06873	2.5
98.78817	0.6
105.04526	2.8
105.07028	16.8
106.06561	0.7
107.04230	0.8
107.04955	16.8
107.08586	100.0
108.08160	1.5
108.08921	3.9
109.01081	2.5
109.06503	6.4
109.07632	2.1
115.05456	2.1
117.07014	2.4
118.04011	0.7
118.07390	0.6
119.03619	0.9
119.04932	1.4
119.06047	3.6
119.08572	8.5
120.09357	2.5
124.80528	0.6
133.10149	1.0
135.04425	8.5
135.06583	1.5
135.08098	9.5
135.11679	18.8
136.02156	21.9
136.03839	1.1
136.05182	1.5
136.06189	6.8
136.07571	13.4
136.08662	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02370	0.8
53.03942	6.3
54.01554	0.5
54.03457	0.8
55.01856	1.1
55.05506	12.7
57.07083	0.7
59.06162	0.6
61.77745	0.6
63.02353	0.6
65.03929	2.4
67.05508	4.6
68.05018	1.6
69.07056	5.0
69.22009	4.8
69.22421	1.6
73.25164	0.5
77.03942	1.3
78.04720	0.8
79.05489	27.4
80.05010	0.8
80.05818	0.9
81.03400	1.0
81.07045	5.3
89.03910	6.2
91.05476	43.7
92.05792	1.2
92.06303	0.7
93.07037	68.2
94.06741	0.5
94.07329	1.4
94.07851	1.6
95.04967	10.9
95.06055	1.5
96.06863	1.6
98.20720	1.2
101.24189	0.5
103.05481	0.7
105.04513	3.9
105.06326	0.8
105.07023	18.8
107.04951	10.7
107.08583	100.0
108.08892	3.2
109.01080	1.5
109.06513	8.2
109.07633	1.4
115.05432	2.2
117.03370	1.8
117.07001	1.5
118.06565	1.2
119.03543	0.7
119.05120	1.1
119.06051	3.9
119.08560	10.5
120.09342	3.4
122.30398	0.6
133.10158	0.6
135.04405	8.2
135.05545	1.6
135.06584	1.2
135.08070	4.0
135.11685	24.1
136.02151	23.2
136.03862	1.1
136.05136	1.5
136.06178	7.2
136.07660	4.3
136.08667	2.4
136.12004	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	8.9
53.42122	1.1
55.01863	3.5
55.05508	11.2
61.86356	1.0
65.03934	3.4
67.05501	25.7
69.03435	1.5
69.07069	9.0
70.96548	2.4
77.03927	2.1
79.05489	65.0
80.04997	3.5
80.05818	2.3
81.03378	1.7
81.07054	25.3
90.04736	1.1
91.05476	32.6
92.05835	1.5
93.07039	83.0
94.04046	1.8
94.07349	2.8
95.04966	14.1
105.04494	3.6
105.07018	10.1
107.04948	16.2
107.08590	54.1
107.09320	2.7
108.04506	1.3
108.08893	2.2
109.01113	7.8
109.06494	3.0
112.03931	2.3
115.05428	2.3
117.07014	2.3
118.06539	1.9
119.03561	2.9
119.06094	1.2
119.08563	3.6
120.09344	1.1
130.30945	1.2
133.10121	1.2
135.04407	9.7
135.05502	3.0
135.06532	2.3
135.08092	11.1
135.11682	48.1
136.02159	100.0
136.03922	3.9
136.05164	5.8
136.06174	40.5
136.07538	7.2
136.12073	2.8
137.04587	2.6
143.89645	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02374	1.3
53.03944	8.0
54.03469	0.7
55.01867	1.8
55.05508	9.1
57.07069	1.1
60.04530	0.9
60.48108	0.6
65.03944	4.4
67.02995	1.1
67.05495	5.3
68.05023	5.0
69.03439	0.7
69.07060	3.4
71.26146	1.6
77.03928	1.8
77.14896	0.6
79.05492	36.0
80.05021	2.3
80.05782	0.7
81.03433	0.8
81.07066	3.9
83.06113	0.8
87.05596	2.5
89.03905	1.9
91.05479	78.6
92.05786	1.4
92.06297	0.8
93.07040	55.0
94.04004	0.7
94.06528	0.7
94.07385	2.1
95.04963	14.4
95.06078	2.7
95.08614	1.1
96.06884	3.8
103.05478	1.7
104.06252	0.6
105.04518	4.4
105.07027	32.1
105.54980	0.6
106.06609	0.7
106.07865	1.3
107.04955	24.7
107.08588	100.0
108.04491	1.2
108.05245	1.0
108.08114	1.7
108.08929	3.6
109.01088	2.6
109.06510	10.2
109.07619	4.4
115.05460	2.6
117.07040	5.2
118.06537	0.9
119.03539	1.0
119.04948	1.4
119.06062	6.1
119.08575	20.9
120.09386	6.5
124.05193	0.9
126.08441	0.6
133.10103	2.4
135.04404	9.2
135.05511	3.5
135.06602	2.0
135.08095	10.6
135.09091	0.7
135.11684	28.1
136.02161	34.6
136.03914	2.0
136.05109	2.1
136.06174	11.1
136.07556	5.9
136.08672	5.2
136.12041	1.2
137.09607	1.4
147.09126	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	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03944	5.7
53.75586	0.6
55.01865	1.5
55.75615	0.6
56.96797	0.5
58.79118	0.7
59.12204	0.6
63.02372	3.8
65.03942	0.7
67.03001	0.7
68.05021	1.6
70.69384	1.4
70.69752	1.5
75.05588	1.3
77.03925	1.1
79.05492	21.2
80.05015	1.1
81.03390	1.1
81.04523	0.7
81.07029	0.8
84.22837	0.7
87.05605	3.1
88.65266	0.6
89.03914	100.0
90.04243	2.7
91.05478	8.2
93.07040	4.6
95.04965	8.0
95.06075	1.2
96.06876	1.9
105.04499	2.3
105.07019	2.6
107.04950	28.5
107.08575	6.7
108.04507	1.0
108.08064	0.6
109.01081	1.9
109.06518	0.9
109.07642	2.2
115.05470	0.8
117.03374	34.5
118.03703	1.3
118.06534	1.1
119.04895	0.8
119.06091	0.6
119.08575	1.0
125.05022	0.7
135.04410	67.2
135.08017	2.8
135.11658	1.5
136.02161	17.7
136.03795	0.8
136.04829	2.1
136.06161	5.8
136.07666	3.2
136.08693	2.1
145.03955	1.7
153.07018	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	134.0601
Annotation	Oxindole
Peak:m/z	Relative Intensity
53.03936	0.9
55.01856	0.3
55.05490	0.3
56.76783	0.2
57.00731	0.2
59.15908	0.2
61.29856	0.2
65.03930	0.6
66.03478	0.3
67.05460	0.3
67.10380	0.2
69.26794	0.5
69.27195	2.1
73.54609	0.2
74.02421	0.5
77.03916	0.2
78.04723	0.4
79.05489	17.7
80.05006	0.3
80.05822	0.5
83.20042	0.2
87.05605	0.2
89.03903	1.5
90.93617	0.2
91.05472	1.8
92.04993	0.5
92.05799	0.3
93.07027	1.4
95.04966	2.8
96.04510	0.2
98.20763	0.3
105.03387	14.4
105.04549	0.8
105.05254	0.4
105.06989	1.2
106.06548	74.9
107.04948	6.1
107.06108	0.8
107.06897	2.2
107.08588	3.1
109.06512	0.3
116.04993	1.3
117.03383	0.3
117.05787	0.3
117.07018	0.5
119.06105	0.4
119.08576	0.3
119.70485	0.2
126.56078	0.2
133.05229	0.4
134.06015	100.0
134.10425	1.1
135.04462	2.1
135.05545	0.3
135.06372	4.3
135.08052	0.8
135.11703	0.8
135.98361	0.2
152.07051	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.42517	0.5
53.03951	2.8
55.05514	5.7
61.01135	0.6
63.20654	0.4
65.03930	0.7
67.05507	1.3
74.02444	0.8
77.03924	1.7
79.05494	9.2
79.05924	1.0
81.04549	1.2
86.38749	0.5
87.05598	0.5
91.05483	38.2
92.05814	1.3
93.07044	4.0
95.04969	2.2
99.96790	0.5
103.05472	4.2
105.03392	1.4
105.07030	100.0
106.06554	1.7
106.07368	4.1
107.04948	0.6
107.08541	0.6
111.04453	0.6
112.02189	2.0
113.03038	1.0
115.05458	3.6
117.07028	3.3
118.07818	2.9
123.07929	3.9
129.06943	0.7
131.08563	7.2
132.08890	0.5
133.02867	2.1
133.06491	6.2
133.07573	1.2
133.10132	46.5
134.06021	4.3
134.07118	4.4
134.10455	2.1
144.04770	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.67240	0.4
50.88932	0.4
52.97706	0.5
53.03944	1.4
54.03467	0.5
55.05505	2.3
55.12328	0.4
65.03936	0.8
67.05508	1.1
70.06600	0.5
70.92367	0.4
71.55705	0.6
77.03922	0.7
79.05490	6.2
81.04550	0.6
88.02203	0.5
91.04907	0.8
91.05477	16.8
92.05811	0.7
92.90478	0.4
93.07042	1.6
95.04967	1.2
103.05456	2.5
105.07027	100.0
106.06546	1.5
106.07364	3.7
111.04405	0.5
112.02169	2.1
113.02959	1.2
115.05462	2.0
117.07043	1.4
118.07813	1.4
123.07922	2.4
126.03735	0.4
131.08562	4.3
133.02817	1.0
133.06500	3.2
133.07617	1.5
133.10123	23.5
134.05997	3.5
134.07108	2.6
134.09584	0.6
134.10498	1.1
144.04755	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02387	0.4
53.03940	1.4
55.01868	0.7
55.05513	2.9
65.03938	1.0
67.05507	1.4
70.62892	0.7
70.63226	0.8
77.03922	1.1
79.05495	8.6
81.04514	0.5
91.05479	26.2
92.05801	0.9
93.07041	5.4
95.04971	3.0
100.06336	0.5
103.05467	3.9
105.03405	0.8
105.07029	68.6
106.06710	0.5
106.07350	3.2
107.08594	1.9
112.02190	1.2
113.03011	0.9
115.05438	7.1
116.06226	1.2
117.07018	10.8
118.04189	0.6
118.07806	9.6
123.07925	1.5
129.07059	0.6
131.08568	10.2
132.08893	0.6
133.02875	1.7
133.06606	3.2
133.10126	100.0
134.06001	1.6
134.07138	2.9
134.10449	5.1
139.09282	0.4
152.28673	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	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82981	6.9
53.03942	23.4
55.01878	9.9
55.05497	6.3
56.05025	16.6
57.03432	40.5
58.02946	7.0
59.06127	10.6
60.04519	29.1
65.79715	6.7
66.03454	14.0
67.02987	8.6
67.05505	10.4
68.05024	7.7
69.03423	13.7
70.04784	12.4
70.05182	18.5
70.06577	13.0
72.04496	7.1
72.08135	12.6
73.02913	16.6
74.06062	11.6
74.09768	5.8
75.05608	21.3
75.89908	6.6
76.03999	11.0
77.00884	10.0
77.28574	7.3
77.73682	7.4
78.89019	6.0
79.05499	74.4
80.05016	20.1
81.03412	16.1
83.06104	14.2
84.08144	72.8
85.02895	14.8
86.52668	8.0
87.05589	67.2
88.02672	12.8
88.07640	6.6
88.51700	28.0
89.01751	9.2
89.51581	11.0
91.05491	42.8
93.04504	19.0
93.07076	33.0
94.05347	6.9
94.06577	10.4
95.04977	38.5
95.53196	9.7
97.52235	6.7
100.02488	61.6
101.00887	13.8
101.02551	12.4
102.02322	12.2
103.02441	7.2
105.04507	12.5
105.07083	11.8
106.06553	31.9
106.07362	30.7
107.04951	100.0
107.06087	25.6
107.08585	43.8
108.05624	8.5
110.07172	33.5
111.02950	13.3
115.01186	8.5
118.03506	46.5
119.01906	59.1
119.03635	9.7
120.02041	13.2
120.03303	14.5
121.01653	9.3
122.53687	10.8
125.99265	9.3
127.34757	6.6
128.02016	11.3
129.02219	8.7
129.03186	8.5
129.04756	8.9
130.03528	15.9
131.01894	15.9
133.03479	12.2
134.03003	20.1
134.06027	57.7
134.07133	73.9
134.09650	15.0
135.04407	60.1
135.05408	13.5
135.06670	14.2
135.08025	25.3
135.09038	8.1
135.11693	11.0
136.04556	21.1
136.87198	6.4
137.02960	34.9
137.50014	48.5
138.00076	20.5
138.03004	11.5
142.03493	51.5
142.39197	7.1
144.03221	7.7
145.03444	8.8
147.05110	10.2
149.02907	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	132.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.4
51.02377	1.2
51.25043	0.2
53.03714	0.4
53.03946	4.6
55.01873	0.5
56.05023	0.7
57.03443	0.7
57.04551	0.6
58.02941	0.4
58.05344	0.6
58.06586	0.6
59.06112	0.5
59.31249	0.2
60.04541	0.4
61.01147	0.4
63.02379	0.3
68.05042	0.4
69.03415	0.3
69.07058	1.0
70.06585	0.4
70.55608	0.2
71.06097	0.3
71.26276	0.6
72.04512	0.7
72.08143	1.0
72.93778	0.4
74.06079	0.4
75.05592	1.2
77.03926	2.0
79.05489	0.6
81.03403	0.5
84.04516	0.5
85.04014	0.9
86.00650	0.7
86.06055	1.0
86.09703	8.3
87.05592	1.0
89.07156	0.4
90.90369	0.5
91.05495	1.7
95.04967	8.6
96.04488	2.0
96.05175	0.4
103.05460	0.4
104.04987	73.4
105.03386	2.5
105.04520	2.5
105.05325	2.3
105.07021	3.6
112.02132	0.3
114.06319	0.5
116.07078	0.3
117.05759	0.8
123.07892	0.6
131.08568	0.3
132.04446	100.0
132.08066	1.2
133.02844	1.7
133.04790	3.7
133.06448	1.5
133.07533	0.5
133.10133	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01589	0.3
50.25806	0.2
51.02379	0.7
53.03942	4.6
55.01870	0.4
55.05495	0.2
56.05033	0.3
57.03429	0.6
57.04550	0.3
58.05332	1.0
58.06598	0.4
59.06118	0.4
61.01148	0.5
68.05024	0.3
69.03417	0.3
69.04539	0.2
69.07057	0.6
69.60004	1.6
72.04520	0.4
72.08152	0.9
73.02848	0.2
75.05589	0.4
77.03915	1.7
79.05486	0.6
80.28596	0.2
81.03419	0.4
84.04472	0.3
84.08138	0.8
85.04039	0.5
86.00637	0.3
86.06061	0.4
86.09698	8.0
87.02711	0.4
87.05588	1.1
90.90356	0.3
91.05477	3.3
92.05790	1.3
93.07054	0.5
95.04961	7.4
96.04498	1.8
103.05461	0.7
104.04984	70.2
105.03416	2.1
105.04518	2.5
105.05322	2.2
105.07015	6.4
112.02192	0.4
115.05465	0.8
117.05756	1.4
117.06491	0.4
123.07928	0.3
130.04053	0.3
130.06531	0.3
131.08528	0.3
132.04440	100.0
132.08054	2.0
132.08932	1.2
133.02821	1.1
133.04784	4.8
133.06441	1.9
133.07545	0.4
133.10110	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	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03949	1.0
58.05320	0.7
58.06596	0.8
59.49474	0.5
64.18661	0.5
65.37525	0.6
66.76409	0.5
71.11572	1.0
72.08142	0.6
72.93754	0.5
73.04005	0.6
75.05600	1.3
77.03914	0.7
77.58258	0.5
79.05470	1.8
85.04059	0.6
85.41076	0.5
86.06068	0.7
86.09698	7.9
87.05574	1.1
89.61668	0.6
90.90388	1.3
91.05463	3.8
93.05778	0.8
95.04957	1.7
97.37589	0.6
103.05459	1.4
104.04981	4.5
105.03368	1.3
105.04533	0.8
105.07033	12.9
106.06593	0.8
115.05458	18.7
116.05779	0.9
117.05754	53.6
118.06075	2.1
130.06514	7.6
131.07310	5.1
132.04440	7.7
132.08084	100.0
133.06561	2.9
133.07530	0.9
133.08444	5.4
133.10095	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.19265	0.5
61.01147	2.2
69.07069	11.8
70.07426	0.5
71.38477	0.8
74.02453	0.4
84.04486	0.7
86.06078	1.3
86.09704	100.0
87.02689	2.6
87.10048	2.1
98.06087	0.7
104.04990	3.0
132.04503	0.7
132.10187	0.9
133.03140	0.7
148.73578	0.4
150.69374	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.79580	0.6
66.19823	0.7
69.07052	2.0
69.78547	3.9
84.27753	0.7
86.09703	100.0
87.10027	3.8
98.21418	1.3
104.05006	1.3
132.10197	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	133.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
53.35722	1.4
54.16943	1.4
55.01860	1.8
55.05505	3.5
56.05015	1.9
58.05344	7.4
58.76290	1.5
61.01145	1.6
63.19846	1.3
65.03910	1.8
67.05495	1.5
71.54275	2.9
72.64022	1.4
74.02425	5.3
74.06075	1.5
75.05582	5.6
77.03918	6.9
78.04697	2.1
79.05485	16.0
81.04525	2.7
82.05289	1.8
85.04012	4.5
87.02697	2.0
87.05602	1.9
87.10045	2.0
87.49697	1.6
88.03955	1.9
91.05465	29.3
92.04974	2.6
92.05800	1.8
93.07030	4.3
95.04950	6.8
103.05455	6.6
105.03373	8.5
105.04501	5.6
105.05311	8.5
105.07023	100.0
106.05310	3.2
106.06544	5.9
106.07317	2.3
107.06110	2.0
109.18977	1.4
112.02189	7.4
113.02973	3.8
115.05443	6.2
117.07014	4.1
118.07784	3.2
123.07919	9.9
128.89452	1.7
131.08536	8.3
133.02898	9.7
133.03804	2.4
133.04857	13.3
133.06387	41.0
133.07556	7.4
133.10123	46.8
134.03600	2.2
134.05060	2.0
134.05991	12.9
134.07101	20.5
134.10481	2.7
147.16951	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03021	0.6
53.03938	1.8
56.05028	1.2
56.10763	0.5
56.13347	0.5
57.03435	0.9
59.06111	0.6
65.03934	1.1
69.03422	1.3
69.40091	4.6
70.03757	2.0
70.06602	0.6
72.04511	0.6
72.08142	1.2
77.03914	0.5
84.04500	2.2
85.04829	6.0
85.08480	1.9
86.06052	0.5
86.09705	8.1
91.05476	100.0
92.05828	3.3
95.04963	1.8
98.21554	0.9
103.05458	21.7
104.05006	2.0
104.05762	1.7
105.04535	1.0
105.07030	1.1
105.98190	0.5
113.07208	1.1
113.07909	5.0
115.05458	7.7
116.06242	26.0
116.29751	0.5
117.05787	0.7
117.06531	0.9
128.06213	2.0
129.07002	15.5
130.07317	1.1
131.04933	3.6
131.08557	91.4
132.04457	3.1
132.05356	0.6
132.08064	1.0
132.08904	5.6
133.06491	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
56.01358	0.7
56.05043	1.6
56.96566	1.2
57.03442	1.6
57.07343	0.6
58.02959	0.7
58.06614	1.0
59.06137	1.1
60.04517	1.1
65.03930	1.1
67.05525	0.6
69.03433	1.8
69.07074	1.2
70.03768	2.6
71.59807	0.9
72.08144	1.9
83.02491	0.9
83.06100	0.9
84.04496	4.1
84.08141	1.0
85.04830	7.9
85.08476	2.2
86.00628	1.0
86.06081	1.6
86.09706	6.6
87.05593	1.3
89.36949	0.6
91.05479	100.0
92.05817	4.0
95.04977	3.3
98.04797	1.1
98.08452	0.9
98.21453	0.6
103.05464	26.5
103.73672	0.6
104.04990	5.5
104.05786	2.1
105.04516	1.1
105.07040	1.2
113.07211	1.4
113.07932	10.1
115.05442	9.8
116.06240	29.6
117.05762	1.3
117.06557	2.4
128.06221	1.4
129.07004	15.3
131.04924	4.4
131.06912	2.3
131.08559	98.6
132.04457	10.1
132.08012	1.6
132.08900	6.6
133.06483	1.4
143.06018	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02383	0.9
53.03943	4.7
56.05032	0.5
57.03434	0.5
57.07362	0.2
58.02946	0.3
58.05324	0.7
58.06579	0.5
59.06124	0.3
60.04544	0.4
69.07041	0.5
70.06572	0.3
71.15449	0.6
72.04517	0.3
72.08151	0.5
72.93785	0.4
75.05596	0.9
77.03928	1.3
79.05491	0.5
81.03412	0.8
85.04016	0.8
86.06064	0.6
86.09177	0.3
86.09696	4.8
87.05582	0.9
87.53699	0.3
90.90376	0.5
91.05495	0.5
95.04967	7.3
96.04488	1.9
103.05443	0.4
104.04984	73.3
105.03399	1.6
105.04514	2.6
105.05318	2.1
105.07015	3.0
112.02184	0.3
117.05778	0.5
123.07906	0.4
132.04442	100.0
133.02834	0.6
133.04784	4.0
133.06384	0.6
133.07477	0.3
133.10133	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	130.0864
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
55.05506	0.5
56.05035	3.7
60.05658	0.2
67.05493	0.5
69.03428	1.0
70.06583	0.3
71.04998	0.2
71.35863	0.4
72.08148	1.1
73.53592	0.2
77.30212	0.2
82.06527	0.2
84.04503	1.5
84.08139	100.0
85.08469	2.4
88.51692	0.3
92.98051	0.2
96.29353	0.2
100.02473	0.5
103.05495	0.2
112.07610	2.6
113.11562	0.2
130.06575	0.4
130.08635	11.2
131.09018	0.2
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
53.03941	2.1
55.05500	2.0
55.23173	1.0
56.05018	4.2
57.07070	80.9
58.07399	2.3
58.83978	0.9
59.06105	2.2
67.05481	0.9
67.59795	0.9
69.03426	17.3
69.07079	2.2
70.06569	2.5
71.18917	1.8
72.08147	8.9
74.09711	54.1
75.10033	1.1
83.72354	0.9
84.04498	66.4
84.08140	17.0
85.04824	2.5
85.08460	1.6
88.07637	1.0
91.05463	1.6
94.34407	1.0
95.04954	3.2
103.05459	50.1
103.35515	0.9
112.07597	38.4
113.07165	1.9
113.07943	2.4
130.05026	4.7
130.06535	13.2
130.08633	7.1
130.15906	100.0
131.04900	6.6
131.08575	2.9
131.16245	5.8
139.54828	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	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
56.05022	0.8
57.03436	1.0
65.03925	1.6
66.57624	0.5
69.03426	1.2
69.59783	4.2
70.03761	1.8
79.05441	0.6
84.04504	3.1
84.08145	0.7
85.04284	0.8
85.04829	7.4
85.08479	2.1
86.09703	1.4
91.05475	100.0
92.05794	3.5
94.16486	0.5
95.04984	1.3
97.74099	0.5
98.20815	1.0
103.05456	9.3
103.06136	0.6
104.05016	0.8
104.05758	1.0
105.07016	1.6
109.06480	0.7
111.46398	0.5
113.07926	5.2
115.05438	6.7
116.06243	23.6
117.05739	0.7
117.06516	0.8
128.06168	1.7
129.06999	13.2
131.04926	2.4
131.06895	2.0
131.08554	79.0
132.04419	1.6
132.06609	0.6
132.08038	2.4
132.08900	5.3
133.06512	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23569	0.5
53.03945	1.3
53.84732	0.5
54.54426	0.5
57.03427	0.9
57.24511	0.6
64.94662	0.7
65.03921	0.6
69.03400	0.9
70.00307	3.4
70.03762	1.0
71.37182	0.6
76.91369	0.6
79.93797	0.6
83.23312	0.6
84.04495	2.8
84.08128	0.6
85.04273	0.9
85.04825	8.0
85.08476	1.6
86.09717	0.7
91.05479	100.0
92.05819	3.2
94.22890	0.5
95.04965	0.6
103.05460	9.9
104.05016	0.7
104.05750	0.9
105.07049	1.4
113.02301	0.7
113.07954	2.1
115.05460	6.5
116.06247	22.8
117.06548	1.3
118.30095	0.7
128.06201	2.0
129.07004	14.8
130.07376	1.2
131.05104	1.2
131.08560	80.6
132.04404	1.9
132.08043	2.2
132.08917	4.8
133.06502	1.0
147.22182	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	130.05
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
52.12812	0.1
55.01857	0.2
55.05521	0.1
56.04755	0.3
56.05035	5.7
57.03428	0.2
58.06604	0.2
58.96718	0.1
60.05630	0.1
67.05502	0.2
69.03429	3.2
69.07081	0.2
70.06596	0.9
70.79202	0.2
70.79513	0.2
71.04980	0.3
72.08162	0.4
82.06599	0.2
84.04504	100.0
84.08138	9.8
85.02904	4.3
85.04829	2.0
85.08478	0.3
87.04428	0.2
95.01344	0.6
102.05524	1.3
108.44157	0.1
112.03978	0.2
112.07603	6.8
113.07883	0.2
130.05002	9.1
130.06549	0.3
130.08649	2.3
131.05374	0.2
134.71051	0.1
142.83461	0.1
143.20143	0.1
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
53.03942	1.1
53.67271	0.2
54.46532	0.2
55.01849	0.3
55.02996	0.4
55.05510	0.9
56.05033	4.2
56.96560	0.6
57.03442	0.4
58.06602	0.5
59.06111	0.8
67.05498	0.9
68.05019	0.4
69.03427	18.0
69.05787	0.2
69.07069	2.3
70.03754	0.4
70.06602	1.3
71.04573	0.4
71.04996	1.0
71.16251	0.2
72.04514	0.6
72.08157	3.7
73.02911	0.4
73.04035	0.2
74.06039	0.3
77.03923	0.4
82.06591	1.2
84.04501	41.6
84.08139	15.5
85.02894	0.8
85.04021	0.5
85.04822	0.7
85.07685	0.7
85.08486	0.7
86.06055	0.2
87.09233	0.5
88.48466	0.2
90.04283	0.4
91.05482	0.4
94.06563	0.6
95.04965	1.9
98.44862	0.3
101.67603	0.2
102.04689	0.5
103.05463	11.9
104.04970	0.4
105.04534	0.2
112.05083	0.6
112.07598	43.4
113.07138	0.6
113.07951	1.0
113.11577	0.4
128.04965	1.8
129.54945	0.2
130.02156	0.8
130.04967	3.5
130.06520	100.0
130.08577	9.1
130.15923	0.3
131.06044	0.3
131.06877	4.1
146.06017	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02364	1.8
53.00265	0.8
53.03946	9.6
54.03456	2.1
55.01855	2.5
55.02977	0.5
55.05511	6.5
56.05033	5.5
57.07056	0.7
58.06590	1.5
61.76334	0.7
65.03932	2.9
66.03443	0.7
67.05502	40.3
68.05016	4.2
68.05821	0.9
68.46226	0.5
69.03410	2.0
69.04527	1.1
69.07043	0.6
70.06580	2.0
71.57388	0.8
71.57761	0.7
77.03914	2.5
78.03442	1.6
78.04715	1.3
79.05029	0.5
79.05491	15.7
80.05013	25.2
80.06250	2.7
81.03403	2.2
81.04536	7.6
81.07054	15.3
82.01441	0.6
82.04858	1.0
82.05325	1.1
82.06568	1.1
82.07374	0.6
83.05645	0.7
83.06095	8.7
91.05462	3.7
93.06465	0.5
93.07042	11.3
95.04961	79.2
95.06039	1.9
95.08602	53.2
96.04488	14.9
96.05284	3.5
96.06335	0.7
96.08114	1.3
96.08920	2.8
97.07652	6.3
99.49182	0.6
99.88097	0.6
100.02479	3.4
103.05463	3.4
105.03393	2.5
105.04494	5.4
105.07026	19.4
105.32047	0.5
106.07353	0.9
107.04958	14.0
107.06059	8.1
108.05733	71.1
109.06092	2.2
112.03955	9.5
118.03514	4.8
119.01942	1.5
119.03619	0.7
121.06498	11.7
123.04443	27.2
123.05557	38.7
123.08073	100.0
123.11706	2.5
124.03949	30.4
124.04971	1.8
124.05899	1.4
124.07592	1.8
124.08693	15.4
125.05998	1.2
125.07127	0.7
133.07594	0.6
135.05533	1.0
137.02980	1.3
140.03401	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.7
51.02375	2.1
53.03944	10.8
54.03468	3.5
54.73946	0.5
55.01867	1.6
55.05513	5.0
56.05035	6.6
57.07069	4.7
58.06602	0.9
59.51418	0.6
60.97746	0.6
61.74759	0.6
65.03935	2.6
65.54099	0.6
66.03454	1.1
67.02992	0.6
67.05499	23.5
68.05031	5.0
68.05832	0.8
69.04543	1.2
69.07067	3.3
69.37438	6.4
70.06584	2.2
77.03925	4.1
78.03454	1.1
78.04700	2.4
79.05487	19.6
80.05013	27.4
80.39376	0.6
81.03413	1.7
81.04543	6.6
81.07050	91.8
82.01421	0.8
82.04865	0.8
82.05317	1.4
82.06590	0.9
82.07381	2.1
83.05646	1.4
83.06104	9.2
91.05495	1.0
93.07033	3.9
94.07806	0.7
95.04962	100.0
95.06033	2.5
95.08598	17.4
96.04484	14.9
96.05302	2.7
96.06413	0.8
96.08103	1.8
96.08887	0.8
97.07645	7.4
100.02489	5.3
103.97051	0.6
105.03394	4.7
105.04501	5.6
105.07008	1.2
106.02925	1.0
107.06079	6.5
108.05719	2.1
112.03967	12.1
118.03521	3.3
119.01873	1.8
121.10098	0.8
123.04420	45.9
123.05531	46.1
123.08051	9.5
123.09161	2.7
123.11694	22.2
124.03945	36.1
124.04797	1.8
124.05887	1.3
124.07618	2.3
124.08691	16.0
124.09564	1.3
137.02953	1.3
140.03424	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57505	0.2
58.99841	0.2
67.37114	0.2
68.15052	0.2
69.80672	0.2
70.18007	0.2
70.72720	0.6
82.01459	0.4
82.99821	1.2
83.01528	0.4
83.06123	0.2
84.01200	0.5
88.96958	0.2
99.37924	0.2
100.02468	1.3
101.00877	20.9
101.02551	3.9
102.00938	1.2
102.02241	1.9
107.06086	0.2
118.03515	0.8
119.01919	100.0
119.03671	2.5
120.01998	6.5
120.03306	1.0
121.02379	0.4
124.02471	0.7
124.04073	0.2
124.08677	0.3
134.69800	0.2
137.02953	37.7
138.03035	2.0
139.03374	0.2
142.03500	7.2
142.04607	0.4
143.03677	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	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.8
51.02377	4.4
53.03948	6.3
55.01869	1.2
65.03931	1.0
67.05138	0.4
67.05502	7.9
69.65517	1.5
77.03930	11.3
78.04286	0.3
78.04695	1.1
80.05006	2.0
81.03404	0.5
94.03375	0.3
95.04966	13.3
96.04480	0.8
96.05267	0.3
96.88976	0.2
98.36996	0.2
100.02485	0.8
105.03392	13.7
105.04465	2.7
106.02921	0.6
106.03709	0.4
118.03501	0.2
119.01915	0.9
123.04427	100.0
124.03932	1.4
124.04784	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01585	0.5
50.08968	0.3
51.02379	4.3
53.03717	0.4
53.03946	5.6
55.01865	1.2
59.11204	0.2
65.03940	1.1
66.59797	0.3
67.05505	7.8
71.17216	0.7
77.03931	11.3
78.04710	0.7
79.05486	0.5
80.05017	4.3
81.03413	0.6
81.07066	0.3
90.25412	0.3
92.05894	0.3
95.04964	19.2
96.04500	1.5
96.05305	0.7
100.02490	0.9
105.03389	13.4
105.04467	2.8
106.02906	0.7
106.03637	0.3
109.42077	0.3
112.03969	0.4
118.03549	0.6
119.01929	0.7
123.04432	100.0
123.05506	9.5
124.03945	2.5
124.04784	3.2
128.89883	0.3
137.02963	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	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.8
51.02379	4.1
51.28123	0.2
53.03943	5.6
55.01860	1.2
65.03924	1.0
67.05503	7.5
71.12853	0.7
71.13220	0.4
75.49888	0.3
77.03928	11.0
78.04700	1.1
80.05016	2.2
81.03406	0.6
81.07049	0.3
84.88748	0.2
91.58237	0.2
95.04961	14.7
96.04495	0.9
96.05263	0.3
100.02469	1.3
105.03388	14.6
105.04451	2.2
106.02902	0.4
106.03598	0.3
118.03517	0.8
119.01902	1.0
123.04424	100.0
123.05447	3.9
124.03922	2.2
124.04781	2.7
127.21688	0.3
137.03058	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35357	1.2
53.03935	1.7
57.11041	0.9
58.03599	1.1
58.99849	1.7
68.27878	1.1
70.04360	4.2
75.70038	1.2
80.05025	1.6
82.01442	14.1
95.04977	10.2
98.20897	1.9
100.02480	87.5
101.00875	15.7
101.02547	5.8
112.92719	1.1
118.03516	65.1
119.01919	100.0
119.03647	3.8
121.28905	0.9
123.04247	2.3
123.05547	4.1
136.04558	1.8
137.02953	54.6
141.05081	2.5
142.03476	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	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02356	1.2
53.03946	16.4
53.86143	1.2
55.01854	2.6
55.05508	11.0
65.03941	10.2
65.26901	1.1
67.05142	1.7
67.05501	35.7
67.30546	1.1
71.51612	1.4
77.03928	2.9
79.05492	92.6
80.05821	3.0
80.06262	1.3
81.03406	1.4
81.07054	1.4
90.80939	1.1
91.05477	41.3
92.05798	1.4
93.04520	1.3
93.07040	100.0
94.06567	4.4
94.07382	4.2
95.04965	24.3
103.05464	28.4
104.05815	2.4
105.03411	1.4
105.04510	4.5
105.07024	37.4
106.07872	2.2
107.07339	3.1
111.04412	2.5
112.04015	2.7
119.08597	5.7
121.02901	10.4
121.03954	7.1
121.05122	2.5
121.06508	26.3
121.10139	46.5
122.06090	8.0
122.07145	8.5
122.09662	9.6
122.10490	2.5
123.08044	4.1
133.07611	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03943	4.7
56.05032	1.6
65.03941	6.3
68.43634	0.6
70.86064	2.2
74.06091	1.8
77.03912	1.1
77.22598	0.8
78.93092	1.2
79.05492	4.1
80.05026	1.2
88.58155	0.7
91.05473	18.3
91.06025	1.2
92.05002	7.8
92.05793	4.4
93.04520	0.7
93.07039	23.8
94.06590	1.0
95.04974	8.6
102.04700	0.8
103.05463	97.9
104.05783	3.1
105.04494	2.1
105.07016	3.8
110.06077	1.0
118.06518	2.3
119.07330	1.3
120.04507	5.3
120.05660	5.3
120.08098	100.0
121.02858	2.8
121.03952	1.4
121.06506	7.1
121.08436	3.3
121.10142	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	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
51.02372	2.7
53.03947	25.6
55.01871	3.4
58.07617	0.5
63.92545	0.4
64.67062	0.4
65.03938	1.6
69.40345	3.9
69.40668	0.6
77.03922	6.9
78.04721	0.5
79.05502	0.6
81.03422	3.2
91.05479	73.9
92.05807	1.7
93.07040	60.1
94.04203	0.6
94.07365	1.9
95.04965	45.7
96.05293	1.0
102.04675	2.1
103.05464	100.0
104.05791	2.9
105.04512	13.5
108.93607	0.4
118.06464	0.4
119.04920	0.5
121.06500	96.7
122.06833	3.1
129.94659	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01592	1.2
51.02378	2.5
53.03944	19.4
55.01870	3.5
55.73909	0.3
57.80711	0.3
60.60590	0.3
65.03935	1.3
71.34382	0.6
77.03925	5.7
78.04705	0.6
79.05481	0.9
81.03412	2.6
91.05476	77.1
92.05802	1.2
93.07037	64.4
94.04207	0.4
94.07366	1.3
95.04961	41.9
96.05297	0.5
102.04662	1.9
103.05460	100.0
104.05786	1.8
105.04507	12.2
106.04836	0.3
119.04914	0.7
121.06496	96.0
122.06825	1.7
131.82339	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.74412	1.3
53.03947	14.5
55.01863	1.8
55.05507	9.7
65.03944	12.8
66.04265	1.9
67.05502	33.7
71.60385	2.9
77.03925	3.3
79.05489	92.8
80.04996	2.4
80.05836	2.0
81.03408	2.5
81.04551	1.9
81.07064	1.4
82.05320	1.5
91.05475	44.5
92.05856	2.2
93.07040	100.0
94.06567	5.8
94.07381	3.1
95.04969	31.8
103.05463	31.8
104.05025	1.7
104.05778	1.8
105.03396	4.1
105.04538	7.0
105.07024	35.0
106.07849	2.1
107.07343	5.2
111.04432	3.5
112.03963	8.0
119.08591	5.6
121.02856	11.9
121.03976	6.3
121.05173	1.7
121.06506	27.6
121.07455	2.3
121.08398	1.5
121.10139	35.8
122.06073	10.2
122.07140	10.1
122.09661	13.0
122.10432	2.2
123.08063	3.9
130.25587	1.4
133.07649	1.5
138.64734	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.01596	0.4
53.03946	2.4
56.05037	0.7
59.06124	1.9
64.86241	0.4
65.03934	6.5
71.51328	0.4
74.06070	1.2
77.03520	0.6
77.93390	0.5
78.04714	0.9
78.93108	0.9
79.05489	5.7
87.05584	0.4
91.05473	100.0
92.04979	2.6
92.05813	2.3
93.07035	6.3
95.04960	4.3
96.05306	0.8
96.94141	0.4
98.57927	0.4
103.05458	13.7
104.06242	8.9
105.04510	1.2
108.28706	0.4
109.06493	2.0
110.06008	0.5
115.05453	5.3
117.07006	27.7
118.07369	1.3
119.04964	4.0
119.06164	3.9
119.06842	1.9
119.08570	65.9
120.04508	2.1
120.05578	3.4
120.08092	4.9
120.08921	1.9
121.06505	0.9
122.99965	0.4
133.46062	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	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85991	0.8
53.03938	2.1
55.05505	2.1
56.05032	4.3
58.06588	3.2
58.99849	1.7
59.06122	45.9
59.52198	0.9
59.78530	0.9
60.04232	1.3
60.04525	21.2
61.02908	2.7
62.06082	2.0
65.03927	6.5
67.05501	9.0
69.03423	3.7
70.91673	1.0
71.49740	1.0
71.52998	0.8
72.06881	0.9
73.04060	1.0
74.06071	4.1
75.05598	1.4
76.93356	1.4
77.00906	1.2
77.93387	1.7
78.93112	3.0
79.03026	1.1
79.05482	4.9
80.02940	2.4
80.06283	1.3
81.07036	1.2
82.01475	1.0
83.06108	1.4
84.04497	1.6
85.07635	1.1
87.05580	7.2
88.51692	0.9
89.01749	1.5
89.03458	1.7
89.51586	1.3
91.05478	100.0
92.05007	2.5
92.05838	1.6
93.03715	1.4
93.04510	1.9
93.07043	3.4
95.04977	2.4
95.94462	1.0
96.94143	1.8
99.99760	0.8
100.02492	8.0
101.00851	4.8
101.02479	1.9
101.07132	5.3
102.02238	1.2
102.05515	2.2
103.02435	5.7
103.05480	2.9
104.06265	1.1
106.02654	0.9
107.05271	7.4
107.55294	1.3
109.06510	2.2
110.06082	1.3
112.20677	0.8
116.05814	6.0
116.55914	1.5
117.05686	1.1
117.07013	3.5
117.79347	0.8
118.03520	7.5
119.01920	50.5
119.03666	2.5
119.04956	3.4
119.06053	7.2
119.06834	1.4
119.08637	14.3
120.01976	2.5
120.03265	1.2
120.04621	1.4
120.05582	5.9
121.03460	8.3
123.03217	1.4
129.03925	1.6
133.03461	1.4
136.04523	1.6
137.02954	36.6
138.03084	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	118.0653
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03932	2.0
55.05497	2.0
56.05021	1.1
58.02949	1.1
58.06586	1.5
59.06119	6.4
59.93110	0.9
60.04505	2.0
65.03930	1.7
70.79311	1.6
72.04508	2.9
72.08154	10.5
74.06071	0.9
75.05589	0.9
76.93365	7.3
85.32558	1.0
87.05579	1.0
91.05479	48.3
94.94397	1.5
95.04958	2.5
105.04515	1.0
117.05743	5.6
117.95987	0.8
118.06538	100.0
119.06069	1.8
119.06879	3.9
119.08587	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01592	1.1
51.02377	3.5
51.76536	0.7
53.03945	32.0
55.01865	2.4
55.05510	10.3
56.05035	1.6
57.05803	0.8
58.06595	1.6
59.06131	4.4
59.93083	0.8
65.03940	24.2
70.06593	1.6
70.90999	2.1
72.04521	1.6
72.08152	54.0
73.86560	0.8
76.93369	3.9
77.03932	4.9
81.03408	3.4
91.05478	100.0
94.94411	1.4
95.04964	49.1
96.05298	1.0
100.01285	0.7
105.04513	13.7
111.56691	0.7
112.96710	2.1
115.93344	0.8
118.06535	48.6
118.08649	1.9
119.03575	0.8
119.04946	11.0
119.06878	1.5
119.08584	0.9
138.70358	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	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49508	0.7
53.03943	4.5
55.05506	4.5
56.05019	2.6
57.05847	0.6
58.02948	2.6
58.06583	2.1
59.05844	0.7
59.06121	10.5
59.07366	0.8
59.93103	1.8
60.04523	7.4
60.06443	1.8
65.03926	2.0
69.90094	3.9
70.06586	1.6
72.04514	5.9
72.07767	1.2
72.08150	20.5
74.06060	1.1
75.05575	1.1
76.03999	1.2
76.93365	15.9
87.05577	1.9
91.05476	62.5
94.94414	4.3
95.04958	8.7
98.20827	0.8
100.03977	2.3
101.07135	0.7
105.04496	2.5
117.05784	5.0
117.07021	1.4
117.95966	2.5
118.06532	100.0
118.08701	2.4
119.04918	1.4
119.06082	1.6
119.06859	4.6
119.08614	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	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03945	1.0
55.05510	19.9
56.05031	0.6
56.05849	0.5
57.05812	1.4
58.06599	4.1
59.05003	0.6
59.06134	0.3
59.07382	3.8
60.04517	0.3
65.03934	3.1
70.06596	0.9
70.64768	0.5
72.08152	100.0
73.08481	1.8
76.59275	0.2
77.13492	0.2
77.23828	0.2
82.06577	0.2
86.03530	0.2
88.29552	0.1
89.65964	0.2
91.05480	13.6
95.04967	1.0
99.27537	0.2
100.07622	0.4
105.04508	0.3
118.06583	1.4
118.08653	10.6
119.04939	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	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01868	0.5
55.05509	0.4
56.01390	0.2
56.05030	1.8
56.96556	0.3
57.03461	0.2
57.04552	0.6
57.93548	0.6
58.02957	0.4
58.06593	0.7
59.04990	0.2
59.06121	5.3
59.99117	0.1
60.04519	1.0
68.05032	0.4
69.03433	0.5
69.05834	0.1
70.02948	0.3
70.06586	100.0
70.80891	0.3
70.81245	0.1
71.04992	0.6
71.06130	0.2
71.06919	2.1
72.04511	0.3
72.08149	0.7
74.02438	0.4
74.06077	0.4
74.07191	0.1
74.93825	4.6
75.05594	2.0
75.93623	0.1
76.03992	0.5
76.07615	0.6
81.03419	0.2
84.04497	0.9
84.05616	0.2
85.02905	0.1
85.03966	0.1
87.09198	0.2
88.07624	0.4
88.36860	0.1
89.03903	0.4
91.05447	0.2
92.94860	1.7
98.06045	1.1
98.07127	0.2
99.00848	0.2
99.05557	0.7
100.07628	0.3
110.95842	0.3
115.05449	0.3
115.96433	0.6
116.01688	0.2
116.07083	9.4
116.08189	0.5
116.10719	0.3
116.97193	0.4
116.98610	0.1
117.06609	0.8
117.07409	0.2
117.10257	0.8
118.94140	0.1
133.97455	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	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
54.57023	0.1
55.05524	0.2
58.06608	0.6
59.05004	0.4
59.06127	1.5
64.79754	0.1
68.05048	0.3
70.06592	100.0
71.06916	1.9
71.10809	0.3
71.11149	0.3
72.08167	0.6
73.40723	0.2
74.02438	0.2
75.95291	0.1
76.07641	0.9
84.04540	0.2
87.09232	0.2
96.98750	0.2
98.06036	0.3
100.07626	0.2
116.07091	8.2
117.07467	0.3
117.10266	1.1
128.05110	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
54.03464	1.9
54.12594	0.5
55.01876	1.6
55.05510	16.5
56.05032	5.5
56.05833	1.0
56.96568	0.7
57.03428	1.9
58.06406	0.5
58.06599	5.1
59.06126	0.6
65.03931	1.2
67.01854	2.4
67.02981	1.0
67.05495	5.6
68.05023	11.3
69.03424	27.1
69.04552	0.9
69.05339	0.8
69.07066	2.8
70.02955	6.6
70.06590	14.2
70.94273	3.0
70.95855	2.1
71.04979	1.6
71.06106	2.3
71.06917	1.4
71.43172	1.4
71.94096	60.8
72.04517	1.7
73.05295	0.6
81.03412	0.6
82.06575	1.9
83.06104	7.6
83.08601	1.0
83.23609	0.5
84.04503	1.8
84.08138	93.7
85.02896	1.0
85.07672	1.4
85.08473	1.6
85.46618	0.6
86.06056	1.5
88.95317	0.6
89.95126	5.7
94.02891	0.9
94.06551	2.6
95.01329	1.8
95.02437	1.4
95.05008	1.9
95.06085	66.5
96.00846	3.3
96.04491	1.8
96.06400	1.5
96.06944	0.8
96.08115	1.3
97.07672	0.9
98.00793	0.7
107.96254	0.5
110.09653	0.7
112.03988	5.6
112.05124	4.2
112.07602	47.7
112.08775	9.1
112.11237	100.0
112.96712	3.4
112.99995	0.7
113.02359	24.1
113.03483	8.7
113.05962	2.2
113.07108	3.6
113.07926	1.8
113.10778	1.8
113.11578	2.5
130.97720	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	1152.6437
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05827	0.2
81.03413	0.1
81.07050	14.0
82.07389	0.2
83.04977	0.3
83.08617	1.4
85.06535	0.3
91.05475	4.4
92.05802	0.1
93.07037	9.6
94.07395	0.1
94.23621	0.1
95.04960	1.1
95.08600	11.7
96.08933	0.2
97.06507	0.6
97.10183	0.5
98.06062	0.2
98.98454	0.4
99.08071	0.2
99.94648	0.1
105.04525	0.2
105.07025	2.9
107.08588	4.6
108.08850	0.1
109.06487	0.4
109.10147	4.6
111.08070	0.4
116.59425	0.1
117.06998	0.9
119.08569	2.0
121.10139	3.9
121.72725	0.1
123.08069	0.4
123.11695	1.2
124.01622	0.4
125.09628	0.2
127.07563	0.1
129.07048	0.1
131.08568	1.5
133.10133	1.5
135.11678	1.9
137.05984	0.1
137.09627	0.1
137.13266	0.2
142.02644	0.1
145.10121	1.1
147.11664	1.0
149.09581	0.1
149.13242	0.9
151.11113	0.1
159.11691	0.6
161.13268	0.6
163.14836	0.3
173.13255	0.6
175.14832	0.2
180.26971	0.1
181.05869	0.1
187.14795	0.4
198.05257	0.4
216.06313	0.6
243.21117	0.1
249.81087	0.1
261.22104	0.6
304.26334	1.7
317.24808	0.1
335.25772	100.0
336.26129	4.4
337.26791	0.1
458.26807	0.8
476.27750	5.2
477.28094	0.2
733.25317	0.1
861.64172	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.4
53.03944	1.1
54.03473	1.5
54.93832	1.4
55.01869	2.0
55.05510	14.4
55.15004	0.3
55.93538	0.7
56.05033	4.8
56.05845	1.1
56.96563	0.7
57.03432	1.5
57.04571	0.4
58.02945	0.4
58.06596	4.5
60.04527	0.7
65.03925	0.7
66.04269	0.9
67.01867	2.9
67.02976	0.4
67.04238	0.5
67.05504	4.0
68.05028	10.9
68.99763	0.4
69.03428	16.7
69.04553	1.2
69.05802	0.3
69.07058	2.3
70.02950	7.3
70.03766	0.6
70.06207	0.6
70.06592	12.5
70.15588	0.6
70.15999	1.1
70.94263	2.7
70.95867	1.9
71.04996	1.6
71.06103	1.7
71.06916	1.0
71.94099	100.0
72.04527	1.7
72.08164	0.8
73.05291	1.2
81.03413	0.7
81.05798	0.6
82.05312	0.4
82.06578	1.6
83.04994	1.0
83.06099	9.0
83.07360	0.3
83.08618	0.7
84.04527	2.0
84.05302	0.5
84.08141	65.9
84.44222	0.3
85.02905	1.4
85.04041	0.4
85.06586	0.4
85.07645	1.7
85.08475	1.4
85.28407	0.3
86.06074	1.2
88.50410	0.4
88.95306	1.1
88.96893	1.0
89.00251	0.4
89.95136	11.0
94.02935	0.7
94.06553	2.1
95.01348	1.5
95.02457	3.1
95.05022	2.4
95.06088	77.8
96.00847	3.7
96.04481	1.8
96.06371	1.8
96.06952	0.5
96.08117	1.5
97.07691	0.5
98.00769	0.6
106.28874	0.3
107.96188	1.7
110.09682	0.4
112.02255	0.3
112.03966	5.5
112.05067	8.2
112.05913	0.7
112.07603	28.8
112.08727	11.2
112.11239	82.7
112.96713	5.6
113.00064	0.6
113.02362	25.0
113.03485	10.0
113.06012	2.0
113.07124	3.6
113.07938	1.0
113.10753	2.0
113.11575	2.0
130.97749	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	112.0873
Annotation	histamine
Peak:m/z	Relative Intensity
52.72414	0.1
54.03459	0.6
55.01860	0.3
55.05509	4.1
55.93515	0.2
56.05033	1.3
56.05829	0.1
57.03424	0.2
58.06597	1.1
59.06114	0.1
60.04512	0.2
67.01853	0.4
67.02988	0.2
67.04245	0.3
67.05505	0.8
68.05025	9.6
69.03426	1.2
69.05341	0.1
69.07052	0.3
70.02951	0.4
70.06588	3.8
70.80508	0.4
70.94263	1.1
70.95858	0.5
71.02952	0.1
71.04984	0.2
71.06117	0.4
71.06930	0.5
71.07310	0.1
71.94100	1.9
72.04512	0.5
73.05286	0.2
79.05464	0.1
81.03387	0.1
82.05334	0.3
82.06587	0.2
83.06102	9.9
83.08595	0.2
84.04492	0.3
84.06448	0.3
84.08140	18.9
85.02922	0.2
85.07658	0.4
85.08476	0.6
86.06055	0.5
86.52621	0.2
88.95274	0.3
89.00251	0.3
89.95129	0.3
93.04519	0.1
94.06583	0.3
95.01334	0.3
95.06087	100.0
96.00874	0.1
96.04493	0.5
96.05801	0.4
96.06393	2.5
96.08118	0.7
97.04034	0.2
97.06429	0.1
97.07661	0.3
98.00785	0.2
100.02486	0.7
102.02256	0.2
112.03975	1.0
112.04732	0.1
112.05080	0.2
112.07622	1.8
112.08734	12.3
112.11237	24.3
113.02357	5.0
113.03486	0.5
113.05974	0.3
113.07130	0.8
113.09060	0.4
113.10760	0.5
113.11587	0.7
117.95934	0.2
118.03487	0.7
119.01865	0.3
120.03249	0.1
133.04561	0.1
134.02988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
50.22098	8.5
56.05016	17.2
64.11075	10.1
71.56010	14.8
71.56379	10.5
83.06113	100.0
89.64514	11.4
93.04541	66.3
110.07178	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	1111.6178
Annotation	Unknow
Peak:m/z	Relative Intensity
77.18852	0.9
79.05023	1.6
79.05487	26.9
81.03416	1.7
81.07051	71.3
82.26538	0.8
83.04964	2.7
83.08605	10.9
85.02892	9.2
85.06531	2.2
85.10182	1.7
86.09698	2.0
91.03948	6.5
91.05474	18.5
93.07037	32.1
93.35635	0.8
95.04956	4.0
95.08599	61.4
96.08905	0.8
97.02898	4.2
97.06538	4.3
97.10147	7.6
98.98458	28.2
99.08087	1.9
105.07021	11.1
106.06544	1.4
107.04944	8.1
107.08585	21.4
109.02910	1.0
109.06519	1.3
109.10149	27.7
111.08077	2.5
111.11678	2.3
113.09635	1.5
117.07005	2.3
119.08573	11.5
121.10135	23.1
123.08112	1.9
123.11701	14.2
125.09689	0.9
127.03912	1.6
129.05453	1.3
131.08563	5.8
133.10129	13.7
133.62567	0.8
134.06020	2.9
135.04396	4.6
135.11673	13.1
136.04736	1.1
137.09644	2.5
137.13231	6.8
141.12737	2.7
145.04965	3.7
145.10081	2.9
147.11673	8.9
149.13242	10.6
151.11226	1.8
151.14789	3.5
152.07054	20.0
153.07390	2.7
153.12708	1.5
155.01039	6.2
155.14285	1.3
159.11708	3.6
161.13243	12.4
163.06006	6.2
163.14780	8.3
165.16385	4.5
167.14255	1.0
173.02068	6.0
173.13222	3.5
175.14816	7.2
177.16377	2.8
179.14288	1.8
179.17921	4.3
181.15956	1.1
187.14775	1.5
189.16327	2.3
202.98723	0.9
203.17940	1.6
207.17581	1.1
220.97134	0.9
243.21103	8.0
245.22646	38.3
261.22110	27.4
263.23697	59.3
279.23151	1.3
281.24887	2.2
299.23721	1.1
317.24625	2.5
335.25781	100.0
336.26080	2.2
337.27350	50.0
338.27795	1.1
355.28400	11.3
415.22260	2.6
433.23462	2.4
463.30344	1.6
481.31711	2.0
497.30450	1.3
499.32715	13.1
566.32379	0.9
661.37598	2.3
1025.55847	1.0
1051.32532	0.9
1062.01123	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	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02375	0.7
53.00310	0.7
53.03946	24.7
54.04290	0.6
55.01872	8.5
55.05513	9.7
56.05028	0.9
65.03938	7.8
66.04735	1.3
67.03005	0.6
67.05503	78.5
68.05022	5.8
68.05827	0.9
69.04547	2.5
69.07069	5.0
71.51096	0.7
79.05490	46.2
80.05012	0.9
80.05826	0.9
80.06263	0.6
81.03416	43.3
81.07053	58.2
82.03728	0.9
82.06573	4.3
82.07356	1.0
83.06104	1.2
86.50594	1.1
87.00450	4.8
91.05477	15.1
92.05006	1.0
92.05807	0.6
94.04180	6.9
94.07822	0.7
95.04971	1.7
98.51239	1.3
107.04957	2.7
107.08563	3.3
109.02872	12.8
109.06515	100.0
109.07594	8.5
109.10151	31.3
110.06029	8.1
110.07146	14.3
111.04454	0.7
113.96404	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.75721	0.2
53.00303	0.5
53.03944	7.1
55.01870	0.7
55.05508	9.2
65.03935	5.2
66.04330	0.2
67.05501	100.0
68.05032	0.5
68.05840	2.1
69.07064	5.5
69.88659	1.4
71.66220	0.2
76.41660	0.2
79.05491	7.6
80.04988	0.3
80.05874	0.3
80.06258	1.6
81.03416	11.1
81.07050	27.8
82.03748	0.3
82.06583	1.0
82.07398	0.6
83.47623	0.2
84.00368	0.2
86.50625	0.9
87.00467	1.0
91.05474	1.5
94.04193	1.0
94.07810	1.2
95.05013	0.3
96.00995	0.3
98.20857	0.4
98.51234	0.6
102.00018	0.3
105.07061	0.5
107.04977	0.3
107.08576	3.2
109.02876	3.5
109.06519	3.1
109.07659	0.7
109.10149	33.0
110.06042	3.5
110.07164	0.7
110.10482	1.3
112.00531	0.2
112.96723	0.3
113.96378	0.3
115.85494	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
53.00297	1.2
53.03946	48.9
54.19248	0.9
55.01875	7.0
55.05506	2.3
56.05032	6.3
65.03931	8.6
66.04704	1.1
67.04245	1.4
67.05500	15.0
68.05018	2.3
71.94110	1.1
74.99830	1.4
79.05492	27.1
80.05006	2.1
81.03416	100.0
81.04465	4.5
81.07057	33.8
81.07502	1.1
82.03755	2.2
82.06592	4.4
83.05042	1.1
83.05641	1.8
83.06103	22.3
84.00366	1.2
86.50621	7.5
91.05479	24.2
92.04964	1.5
93.04521	16.0
93.19006	0.8
94.04186	27.1
95.04970	2.0
95.51144	1.2
107.04943	11.9
109.02879	17.1
109.06516	49.1
109.07626	12.9
109.08370	2.0
109.10143	5.6
110.06052	15.2
110.07174	20.4
111.04427	2.6
112.96711	3.0
119.06115	1.2
126.53325	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	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02373	1.9
53.00297	1.2
53.03946	48.9
54.19248	0.9
55.01875	7.0
55.05506	2.3
56.05032	6.3
65.03931	8.6
66.04704	1.1
67.04245	1.4
67.05500	15.0
68.05018	2.3
71.94110	1.1
74.99830	1.4
79.05492	27.1
80.05006	2.1
81.03416	100.0
81.04465	4.5
81.07057	33.8
81.07502	1.1
82.03755	2.2
82.06592	4.4
83.05042	1.1
83.05641	1.8
83.06103	22.3
84.00366	1.2
86.50621	7.5
91.05479	24.2
92.04964	1.5
93.04521	16.0
93.19006	0.8
94.04186	27.1
95.04970	2.0
95.51144	1.2
107.04943	11.9
109.02879	17.1
109.06516	49.1
109.07626	12.9
109.08370	2.0
109.10143	5.6
110.06052	15.2
110.07174	20.4
111.04427	2.6
112.96711	3.0
119.06115	1.2
126.53325	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.58915	0.2
51.02367	0.4
53.03944	2.3
55.01871	0.9
63.02386	0.2
65.03940	14.4
65.74665	0.2
66.04272	0.3
67.04250	0.8
67.05500	2.6
70.13218	0.7
77.03887	0.3
78.33976	0.2
79.05489	14.6
80.05013	3.4
80.05775	0.3
91.05479	100.0
92.05766	1.9
92.06304	2.1
93.05790	0.6
95.04961	4.6
96.04511	0.2
103.05467	1.0
105.04553	1.1
105.07029	29.5
106.04135	0.5
106.07365	0.7
107.04957	11.0
107.06068	1.4
107.08588	30.2
108.04479	0.8
108.05569	0.8
108.08131	1.3
108.08929	0.7
109.06514	15.2
110.06859	0.5
119.06072	6.6
124.05212	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	1070.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05012	0.3
79.05487	9.2
81.07049	14.7
83.04975	0.5
83.08607	1.5
85.06528	0.5
86.01815	0.2
91.05474	4.6
93.07035	9.8
95.04951	0.9
95.08598	13.9
97.06530	0.8
97.10156	0.6
98.06020	0.3
98.98436	0.3
105.07026	2.8
107.08582	4.5
109.10145	5.4
111.11710	0.2
117.07025	0.7
119.08568	2.4
121.10138	4.3
123.08084	0.5
123.11664	1.3
124.01549	0.3
125.09614	0.3
131.08553	1.5
133.10127	1.7
135.11681	2.1
137.13210	0.3
142.02675	0.3
144.28970	0.2
145.10114	1.1
147.11690	0.9
149.13260	0.9
159.11685	0.7
161.13260	0.5
163.14793	0.3
170.05478	0.2
173.13220	0.6
175.14825	0.4
187.14703	0.3
198.05214	0.4
209.92781	0.2
216.06302	0.5
261.22198	0.6
304.26343	1.3
311.86438	0.2
335.25766	100.0
336.26083	3.3
396.74637	0.2
458.26700	0.6
476.27707	3.8
916.51563	0.2
938.96313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01612	0.3
51.02383	2.3
53.03946	49.8
54.04282	1.0
55.01867	1.7
55.05515	1.2
56.05043	0.7
65.03944	1.5
67.05504	12.3
68.30089	0.3
68.95295	1.2
69.07069	0.6
69.53984	0.6
69.54395	1.8
73.25507	0.3
77.11881	0.3
79.05484	4.6
79.99690	0.3
81.03417	100.0
81.07053	7.8
82.03743	2.4
82.06583	1.3
83.06107	2.2
91.05479	2.2
92.05013	0.3
93.04527	1.2
94.04183	2.4
106.25951	0.4
107.04948	1.1
107.08624	0.5
109.02874	13.8
109.06509	5.5
109.07645	2.0
109.10154	3.7
110.03154	0.3
110.06051	4.4
110.07173	2.4
111.04408	0.4
118.67513	0.3
120.88339	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	109.0286
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01597	0.8
51.02160	0.6
51.02373	2.8
53.00304	0.9
53.03946	53.9
54.04278	1.4
55.01875	2.7
55.05508	6.2
56.05038	0.7
60.69053	0.6
64.94595	0.6
65.03936	5.6
67.02970	0.9
67.04244	2.0
67.05503	62.7
67.93564	0.6
68.05026	8.0
68.05820	0.8
69.04554	3.6
69.07056	4.0
69.73786	2.2
69.74211	1.0
79.05493	11.3
80.05026	1.1
80.06240	0.5
81.03416	100.0
81.07053	28.0
82.03754	2.6
82.06577	6.4
82.07367	0.7
83.06104	1.5
86.00666	0.6
86.50584	0.6
87.00459	2.4
91.05477	4.0
92.05003	1.4
93.04515	0.6
94.04179	4.6
94.06119	0.5
96.00998	1.0
98.51252	0.5
107.04931	1.7
107.08585	2.1
109.02879	34.8
109.05807	1.0
109.06516	15.3
109.07641	14.8
109.08385	0.9
109.10155	26.9
110.03210	0.7
110.06036	14.9
110.07161	19.7
110.10457	0.8
111.04409	0.7
113.96398	1.2
125.37160	0.5
128.38400	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	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.3
53.03945	16.7
55.01873	3.5
56.96544	0.5
66.98169	0.5
67.04243	1.4
71.50832	0.5
77.03933	3.9
79.05490	28.3
80.05019	2.9
80.05803	1.4
81.03416	3.6
91.05493	3.0
95.04964	29.9
96.05271	1.0
105.04506	9.2
105.07012	0.8
106.06554	0.5
107.04952	100.0
108.04610	0.9
108.05309	2.3
108.08144	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01597	0.5
51.02377	1.8
53.03946	12.8
54.23798	0.4
55.01867	1.7
56.96572	1.5
62.99059	0.7
65.03938	1.8
67.04245	3.7
67.05494	0.6
67.97845	0.4
70.30635	1.4
74.55394	0.4
77.03930	2.9
79.05489	100.0
80.05011	7.9
80.05817	2.3
80.06277	1.7
81.03419	1.6
87.64461	0.4
89.10275	0.4
90.04701	1.2
91.05470	10.1
92.03706	0.5
93.05789	0.8
95.04960	21.1
105.04506	5.8
105.07034	3.0
106.06534	0.6
107.04950	59.8
107.06001	4.9
107.08584	2.3
108.04454	1.3
108.05768	3.8
108.08128	2.5
109.06507	0.6
119.06052	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	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34224	2.5
51.02369	2.3
51.07657	1.9
53.03947	24.3
55.01863	4.6
61.08517	1.9
70.68098	4.8
70.68435	2.2
77.03903	3.0
79.05492	37.6
80.04985	2.7
91.05494	3.5
95.04969	36.2
105.04498	8.4
107.04952	100.0
107.11518	4.5
111.47447	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	1064.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
74.01590	0.1
75.02351	0.1
76.03145	0.2
77.03901	0.4
78.04668	0.1
79.05493	0.1
81.03423	0.5
85.02899	1.9
87.04449	0.1
89.03908	2.3
90.04754	0.1
91.05475	11.5
92.31860	0.1
93.10201	0.1
95.04964	0.2
96.15765	0.1
97.02884	1.0
98.21409	0.1
98.27330	0.1
99.04455	0.2
101.90359	0.1
103.05471	0.4
105.03378	0.4
106.04189	0.1
107.04981	0.2
108.05722	0.1
109.02852	0.4
111.04416	0.1
115.05457	0.1
117.03374	5.1
118.04137	0.2
119.04933	21.1
120.05273	0.3
121.02898	0.2
121.06496	0.1
122.03680	0.1
127.03919	1.2
129.03352	0.3
131.04915	0.3
132.02058	0.7
132.04453	0.2
133.02846	0.3
134.03621	0.3
135.04384	0.7
136.05211	0.2
145.02840	15.3
146.03336	0.1
147.04398	19.7
148.04756	0.2
149.02321	0.6
149.05974	1.6
150.03177	0.1
150.05492	0.7
157.03966	1.9
161.05954	0.1
162.03133	0.2
163.03868	0.3
164.04694	0.7
167.07040	0.3
175.03896	39.7
176.04271	0.4
177.05455	34.9
178.05901	0.5
179.07011	1.8
186.05505	0.4
191.06989	0.1
192.04198	0.4
196.06068	0.5
207.06512	100.0
208.06865	1.0
219.06458	0.2
225.07549	1.2
233.08154	0.1
235.05997	0.3
245.07979	0.2
249.07526	0.1
261.07513	0.1
263.09067	0.1
271.05991	0.1
291.08658	0.5
321.09659	0.1
322.09735	0.1
333.09686	0.3
339.10672	0.3
351.10724	5.5
358.11194	0.1
369.11783	10.8
370.12051	0.1
372.10742	5.2
382.83896	0.1
398.97867	0.1
438.00836	0.1
531.17084	7.5
532.17218	0.1
534.15997	1.2
581.44397	0.1
726.20959	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01585	0.5
50.25716	0.3
51.02379	2.4
51.57490	0.4
53.03946	18.5
53.69143	0.3
55.01878	4.6
57.16275	0.3
71.00790	0.9
71.01142	0.4
77.03925	4.1
78.04712	0.4
79.05493	28.9
80.05029	0.8
80.05824	1.2
80.06254	0.4
81.03436	2.2
82.70936	0.3
91.05473	1.3
95.04965	28.4
95.42872	0.3
96.05289	0.9
100.02446	0.3
105.04516	9.2
106.06530	0.5
107.04952	100.0
108.04560	0.6
108.05302	2.1
108.08131	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	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.5
51.02374	2.2
53.03944	12.4
55.01860	0.4
59.06934	0.3
60.04522	1.1
61.08508	0.5
66.17101	0.3
69.27831	0.3
70.75289	0.4
70.75616	0.7
72.57169	0.3
77.03924	3.0
77.15077	0.3
78.04295	0.4
79.05490	56.4
80.05824	1.2
81.03416	1.3
81.29163	0.3
82.25094	0.3
88.07604	0.4
95.04964	23.5
103.05463	41.2
104.05803	0.9
105.04536	6.6
105.07026	100.0
105.11089	1.1
106.04866	0.3
106.06626	0.5
106.07365	2.8
118.06558	0.3
122.48957	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01599	0.7
51.02370	1.9
53.03946	13.1
55.01866	0.8
60.04526	0.6
60.08147	0.3
67.84131	0.3
70.75570	0.9
77.03919	3.3
79.05492	56.9
80.05836	1.1
81.03411	1.1
95.04967	24.0
96.53353	0.3
98.21597	0.3
101.24236	0.3
103.05466	42.6
104.05791	0.8
105.04531	6.2
105.07029	100.0
106.06646	0.4
106.07355	2.4
112.30701	0.3
113.03035	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01578	0.7
51.02365	2.6
53.03949	15.0
55.01857	0.9
56.02045	0.4
56.07573	0.4
56.96521	0.5
60.04520	1.8
60.08165	0.9
61.08500	1.1
64.35104	0.4
65.03939	1.5
69.35089	4.9
74.17736	0.5
74.39729	0.4
76.30070	0.4
77.03931	3.5
78.04699	0.8
78.80411	0.4
79.05494	51.8
80.05818	1.2
81.03413	1.8
88.04801	0.5
93.62483	0.5
95.04968	26.5
96.04498	1.1
96.05333	0.5
103.05469	36.3
104.05744	0.5
104.12862	0.5
104.90829	0.8
105.03437	2.6
105.04525	10.6
105.07031	100.0
105.11076	3.8
106.06551	4.0
106.07353	2.5
111.13755	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	1034.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02917	0.1
77.33105	0.0
78.04670	0.3
79.05471	0.0
81.03410	0.4
85.02896	1.4
86.33398	0.0
89.03909	4.6
91.03908	0.1
91.05454	0.2
93.07001	0.1
95.04961	0.1
97.02873	0.6
99.04470	0.1
103.05469	0.1
106.04161	0.3
108.99600	0.1
109.02870	0.2
111.04432	0.1
117.03368	12.8
118.03706	0.1
119.04885	0.1
124.05247	0.1
127.03908	1.0
129.04456	0.1
131.04930	0.1
131.91475	0.1
132.04414	0.1
134.03630	0.9
135.04411	0.9
137.06012	0.1
145.02832	41.2
146.03178	0.6
147.04410	0.1
149.05963	4.6
150.05479	0.3
156.05843	0.1
158.06007	0.1
162.03127	0.2
163.03844	0.5
175.07597	0.1
177.05452	100.0
178.05800	1.6
178.63040	0.1
186.05490	0.9
191.07088	0.1
195.06512	1.3
196.06006	0.5
205.04985	0.1
215.07086	0.1
219.06447	0.1
233.08086	0.1
257.08020	0.1
261.07562	0.2
273.07639	0.1
303.08536	0.1
312.08612	0.1
321.09653	3.3
322.09900	0.1
339.10721	7.7
340.10999	0.2
358.11325	0.1
372.10736	3.0
373.11234	0.1
501.15994	4.7
502.16336	0.1
515.15271	0.1
534.16064	0.6
594.50104	0.0
851.73114	0.1
1017.29590	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	4.5
59.07378	1.5
60.08162	48.0
61.08498	0.2
69.03433	0.6
71.04272	0.1
71.04585	0.0
80.58745	0.0
86.06059	0.2
86.09692	0.2
87.04468	1.0
88.07603	0.1
90.86812	0.0
101.45559	0.1
104.10738	100.0
105.10391	0.1
105.11055	1.1
108.91834	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.6
51.02380	8.0
53.03945	57.5
54.04292	0.6
55.01870	3.8
55.87196	0.4
60.04514	1.8
60.08168	0.8
61.08499	0.8
68.99797	0.4
71.09101	0.5
77.03928	10.9
78.23582	0.4
79.05485	4.7
81.03421	5.5
88.07608	0.4
95.04961	100.0
96.05306	1.3
103.05471	3.4
103.76885	0.4
105.03393	52.9
105.04514	32.1
105.07021	8.2
105.11069	2.2
106.03693	0.4
106.04865	0.6
106.06549	1.6
118.06537	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	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	2.3
51.02379	8.9
53.03944	62.2
54.04270	0.7
55.01877	2.9
56.17944	0.4
60.21504	0.4
71.15421	1.0
77.03921	13.4
79.05478	3.5
81.03413	5.9
95.04959	100.0
96.05305	1.5
96.07027	0.4
103.05446	2.4
105.03384	53.4
105.04506	30.4
105.07018	6.7
105.11048	0.8
106.03735	0.9
106.06581	1.0
118.06544	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	105.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	2.5
51.02381	7.5
53.00308	0.5
53.03945	47.6
54.04272	0.6
55.01873	3.1
59.46146	0.2
60.04519	0.4
61.08488	0.3
62.89254	0.3
65.03941	0.2
68.99791	0.4
70.77663	0.3
70.77995	0.4
73.20117	0.2
77.03924	11.2
78.04246	0.3
79.05489	5.8
81.03414	6.3
95.04964	100.0
96.05293	1.9
97.05393	0.3
103.05469	3.0
105.03384	53.4
105.04504	30.0
105.07017	11.0
105.11052	1.3
106.03712	1.0
106.04873	0.4
106.06580	0.6
106.07310	0.2
108.02048	0.3
118.06524	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	1034.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02910	0.0
78.04694	0.3
81.03419	0.4
85.02895	1.4
87.04453	0.1
89.03905	5.9
90.04269	0.0
91.03943	0.1
91.05457	0.4
93.07057	0.1
95.04957	0.1
97.02877	0.6
97.40169	0.0
99.04455	0.2
103.05460	0.2
105.03337	0.1
106.04131	0.2
107.04952	0.1
109.02890	0.3
117.03365	14.1
118.03640	0.2
119.04936	0.4
121.06446	0.1
124.05193	0.2
127.03896	1.0
129.04427	0.1
129.10237	0.1
131.04900	0.1
132.04422	0.2
134.03609	1.2
135.04408	1.1
137.05978	0.1
145.02831	44.0
146.03169	0.7
147.04384	1.1
148.03947	0.1
149.05960	5.2
150.05449	0.5
151.03871	0.1
158.06015	0.3
159.04462	0.1
160.05276	0.0
162.03130	0.3
162.05508	0.1
163.03886	0.6
175.03902	0.3
175.07553	0.0
177.05449	100.0
178.05820	1.7
186.05473	1.5
186.07175	0.1
187.05865	0.1
187.07555	0.1
189.05373	0.1
191.07059	0.1
195.06517	1.2
196.06004	0.6
201.05464	0.1
202.04999	0.0
205.04968	0.1
207.06494	0.7
211.07500	0.1
215.07133	0.1
219.06429	0.1
233.08142	0.1
257.08023	0.0
261.07535	0.2
276.05045	0.1
291.08606	0.1
303.08563	0.2
304.84344	0.0
312.08472	0.1
321.09656	2.7
322.09808	0.1
339.10718	6.2
340.11163	0.2
342.09686	0.1
358.11197	0.1
369.11755	0.1
372.10739	4.3
373.11078	0.2
501.16019	2.4
502.16202	0.1
515.15302	0.1
534.15973	1.0
669.61829	0.0
678.21588	0.1
696.21289	0.0
711.11688	0.0
847.07794	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
72.64563	0.3
76.02224	45.2
76.03969	1.7
79.05489	11.5
80.05011	0.9
81.03413	25.0
81.07050	13.2
83.04971	1.7
83.06106	0.9
83.08619	5.3
84.04500	11.1
85.02886	0.8
85.04024	1.4
86.72521	0.4
86.99044	1.7
88.02209	1.1
91.03939	0.5
91.05476	10.1
93.07034	10.1
95.04377	0.5
95.04964	7.9
95.08599	8.4
97.02887	1.8
97.03487	0.3
97.06531	1.0
97.10170	1.2
99.05609	0.4
102.05489	0.4
105.07025	6.2
106.20547	0.4
107.04956	1.8
107.08589	6.7
109.06527	1.5
109.10167	4.4
111.04458	0.7
111.08067	1.7
112.03924	0.5
114.03752	0.6
115.05415	0.6
116.01673	14.1
117.07022	2.2
119.08572	5.4
121.06477	0.8
121.10133	5.4
123.08041	0.6
123.11679	1.6
125.09580	0.7
129.07068	2.2
130.04997	8.2
131.04449	0.4
131.08569	4.9
133.06487	1.0
133.10147	3.5
135.11691	2.6
137.09598	0.8
142.03215	5.9
142.07768	0.8
143.08546	0.5
144.01137	7.0
145.06087	0.7
145.10126	2.2
147.08043	1.3
147.11656	3.1
149.09599	2.1
149.13242	1.6
149.35660	0.4
153.06686	0.4
157.10120	2.8
159.11681	1.5
161.13196	1.2
162.02194	24.5
163.11122	0.7
163.14851	1.0
165.12744	0.8
170.02710	2.5
171.11644	0.4
173.13255	1.4
175.11145	2.2
177.03291	2.3
179.04845	44.9
181.06087	0.4
185.13359	0.4
187.05370	1.6
187.14801	0.7
193.12242	6.2
215.04810	1.7
216.03322	0.9
227.04897	0.4
227.12825	0.6
233.05908	13.2
235.13333	0.7
243.21021	1.3
245.05885	2.7
249.14885	0.5
261.22107	3.8
262.19370	0.4
267.15909	22.8
268.16266	0.4
290.07880	1.6
291.06433	1.4
301.25238	0.7
308.09082	100.0
309.09344	1.2
309.16672	0.4
335.25793	16.4
336.26050	0.6
395.44232	0.4
435.32648	0.9
452.13211	0.7
453.33704	1.8
470.14090	1.1
471.34637	0.5
527.37274	10.1
528.37390	0.5
545.38354	6.7
646.46460	0.6
834.44434	0.8
852.46252	2.0
1014.53949	0.4
1032.58289	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.1
50.48348	0.6
51.02377	3.4
53.03947	27.2
55.01873	1.1
56.05019	1.0
57.05356	1.2
58.06585	1.8
59.06114	0.9
60.08148	2.6
62.06069	2.4
71.03464	1.1
76.02607	0.6
77.03941	4.5
80.05036	0.6
81.03403	2.7
84.16975	0.6
86.06065	2.4
87.04480	1.2
95.04964	45.3
98.79992	0.7
102.04690	6.1
103.05463	100.0
103.08685	4.2
104.05794	1.5
104.10740	4.1
105.04512	11.9
113.35226	0.6
120.86578	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	1032.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
76.02222	45.8
76.03987	2.1
77.03917	0.4
77.54126	0.4
79.05487	13.7
80.04993	0.8
81.03414	26.4
81.07049	17.3
81.07533	0.7
81.38433	0.4
83.04964	1.8
83.06078	0.8
83.08614	5.2
84.04496	14.3
85.02888	1.4
85.04000	1.8
85.06540	0.4
86.99048	2.7
88.02198	1.1
91.05476	12.0
92.01717	0.6
93.07036	14.2
95.04963	9.1
95.08598	11.2
97.02879	1.7
97.06516	0.8
97.10146	1.2
105.07018	8.2
107.04930	1.7
107.08588	6.9
109.06495	1.5
109.10152	5.9
111.08044	1.6
112.03922	0.5
113.03462	0.5
114.03712	0.7
115.05426	0.8
116.01668	15.2
117.07003	2.4
119.08566	7.3
121.06477	1.1
121.10129	6.4
123.08043	0.9
123.11691	2.1
125.09567	0.7
125.69326	0.5
129.07034	3.2
130.04988	7.8
131.04536	0.9
131.08554	5.8
133.06470	1.1
133.10132	3.3
135.08075	0.5
135.11679	3.4
137.09547	0.6
137.13210	0.5
141.06956	0.5
142.03215	6.1
142.07813	1.0
143.08601	0.5
144.01131	8.7
145.06047	0.9
145.10120	2.4
146.02673	0.6
147.08008	0.7
147.11684	4.1
149.09595	1.5
149.13222	2.1
157.10106	4.1
159.11653	2.1
161.13245	1.1
161.40184	0.5
162.02191	26.3
163.11180	0.9
163.14775	0.9
165.12737	1.2
170.02702	2.6
173.09511	0.6
173.13255	1.9
175.09720	0.7
175.11192	2.8
177.03293	3.0
179.04839	45.1
185.03775	0.6
187.05357	1.7
187.14786	0.6
188.03806	0.5
189.11142	0.5
193.12228	7.2
194.12540	0.4
196.26465	0.4
199.05341	0.5
211.13287	0.9
215.04898	1.9
227.12686	1.0
231.04297	0.5
233.05911	12.7
243.21155	2.3
245.05904	2.9
249.14955	0.8
261.22119	6.7
267.15884	25.3
268.16055	0.7
276.15927	0.5
279.68481	0.6
290.07925	1.0
291.06436	1.2
301.25220	0.9
308.09082	100.0
309.09332	1.5
317.24786	0.6
335.25781	24.8
336.26199	0.5
435.32336	0.6
452.12933	0.7
453.33838	1.6
469.25391	0.4
470.14349	1.2
527.37250	13.4
528.37311	0.6
545.38330	7.6
546.38385	0.7
569.37970	0.9
834.45490	1.0
852.46484	2.1
906.84088	0.4
954.69031	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	1022.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02927	0.2
78.04708	0.2
79.05508	0.4
81.03407	1.3
84.08148	0.3
85.02900	7.0
86.09705	0.3
86.69682	0.2
89.03910	4.4
91.05473	3.9
92.05795	0.2
95.04962	0.4
97.02880	2.8
98.21425	0.3
99.04447	0.7
103.05465	0.3
106.04151	0.3
106.64647	0.2
107.04932	0.9
109.02877	2.9
111.04412	0.4
117.03370	11.2
118.03711	0.6
119.04929	10.5
119.05804	0.4
121.06554	0.3
124.05213	0.2
125.05920	0.3
127.03907	4.9
128.04262	0.2
129.06978	0.2
131.04915	0.2
132.04451	0.5
133.02859	0.2
133.06348	0.2
134.03632	1.2
135.04410	3.6
136.04758	0.4
136.07561	0.2
137.05984	0.7
139.03905	0.3
145.02835	36.7
145.04926	1.2
146.03152	2.1
147.04395	60.8
148.04781	1.1
148.55339	0.2
149.05971	4.9
150.05476	1.7
153.05450	1.0
162.03134	0.3
163.03885	13.0
164.04225	3.3
165.04340	0.5
165.05573	0.4
167.07025	2.7
169.04913	0.2
175.07626	0.2
177.05453	100.0
178.05841	4.1
179.05957	0.6
186.05505	1.0
187.05923	0.4
189.05510	0.2
191.07048	0.3
195.05017	0.3
195.06543	2.7
196.05995	1.2
202.04924	0.6
205.07004	1.9
207.06456	0.3
213.07513	1.0
219.06552	0.2
228.45215	0.2
233.08022	0.2
237.38574	0.2
251.08958	0.2
261.07654	0.2
291.08572	0.5
293.10175	0.3
303.08655	0.3
309.09433	0.8
321.09653	4.3
322.09958	0.3
325.09100	0.9
326.09433	0.6
339.10724	12.1
340.11072	0.5
342.09677	11.0
343.09982	0.3
357.11673	0.6
358.08755	0.3
372.10699	0.3
487.14255	0.4
488.14444	0.3
501.16019	7.8
502.16040	0.4
504.14954	2.2
566.37091	0.2
774.48810	0.2
986.19214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05490	0.5
81.03414	0.4
85.02902	1.8
89.03349	0.3
89.03910	6.1
91.05487	0.4
95.04962	0.2
97.02908	0.8
99.04458	0.2
107.04949	1.0
109.02876	0.3
117.03376	10.2
118.03698	0.3
119.04941	0.2
127.03902	1.3
132.04419	0.2
134.03607	0.5
134.48077	0.1
135.04410	11.2
137.06010	0.3
145.02838	26.9
146.03146	0.6
147.04419	1.3
149.05956	2.1
150.05489	0.7
151.03807	0.2
158.06093	0.2
158.43658	0.1
163.03893	100.0
164.04240	1.9
177.05458	48.9
178.05876	1.1
181.04932	2.2
186.05415	0.7
193.04936	0.2
195.06471	0.3
196.05995	1.0
202.04915	0.1
289.07144	0.2
307.08118	3.3
308.08527	0.2
317.76245	0.1
321.09689	1.5
325.09158	11.2
326.09399	0.3
339.10788	2.9
340.10928	0.1
358.09100	1.5
372.10745	3.6
373.10757	0.2
487.14493	3.8
501.15979	1.9
520.14331	0.2
534.16083	1.1
583.54895	0.1
783.69379	0.1
963.53040	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08169	0.2
78.04697	0.3
79.05502	0.3
81.03413	0.5
84.04484	0.1
84.08134	0.4
85.02894	2.2
86.09698	0.5
89.03910	6.2
91.05463	0.7
95.04946	0.3
97.02879	0.9
99.04450	0.2
103.05506	0.2
107.04961	0.6
108.08082	0.1
109.02882	0.5
117.03370	14.3
118.03690	0.2
119.04921	0.9
121.02872	0.3
121.06525	0.2
124.05250	0.2
127.03909	1.3
128.44240	0.1
129.10338	0.3
131.04922	0.2
131.12082	0.1
132.04465	0.9
133.02831	0.7
134.03609	0.6
135.04408	6.8
136.04808	0.2
136.07509	0.2
137.05971	0.6
145.02835	40.8
145.73106	0.2
146.03148	0.8
147.04382	4.2
148.04745	0.4
149.05975	4.1
150.05493	3.4
151.03894	0.3
156.87694	0.1
158.06075	0.2
159.04475	0.2
161.02350	0.4
161.05930	0.1
162.03101	0.3
163.03889	44.4
164.04266	0.8
165.05518	0.2
173.48978	0.1
175.03801	0.2
177.05457	100.0
178.05908	1.9
181.04942	0.3
186.05490	1.4
193.04950	1.6
195.05084	0.3
195.06546	1.3
196.06029	3.6
202.04956	0.2
207.06468	0.3
217.08565	0.2
231.06461	0.2
238.07054	0.2
261.07568	0.4
303.08432	0.3
307.08090	0.3
311.09100	0.3
321.09653	3.8
325.09012	0.8
339.10760	9.4
340.10965	0.3
342.09665	0.5
355.10391	0.3
358.09048	7.5
359.09259	0.3
372.10678	0.4
487.15314	0.3
501.16028	4.5
502.15683	0.2
520.14520	1.6
652.56573	0.2
696.20886	0.4
747.84729	0.2
831.45038	0.2
858.25757	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	1004.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	1.5
70.51698	0.2
72.08150	0.1
74.06063	0.1
77.03942	0.1
78.04657	0.3
79.05487	0.1
81.03400	0.4
84.04501	0.1
84.08143	1.2
85.02901	2.0
85.08492	0.1
86.09702	0.8
87.04482	0.1
87.05599	0.2
87.10038	0.1
89.03909	4.5
91.05473	3.8
93.07085	0.1
95.04980	0.1
97.02879	0.8
99.04436	0.2
103.05450	0.2
105.26336	0.1
106.04170	0.3
107.04932	0.1
109.02872	0.3
112.07596	0.1
117.03370	12.9
118.03723	0.2
119.04932	8.7
120.05283	0.2
121.06538	0.1
124.05209	0.2
127.03904	1.1
129.10226	0.5
130.04985	0.1
131.04890	0.1
132.04442	0.4
134.03613	0.9
135.04411	0.9
136.07574	0.6
137.05974	0.2
137.07901	0.1
141.06750	0.1
141.10271	0.1
143.11795	0.1
145.02838	40.5
146.03162	0.7
146.05983	0.1
147.04398	48.1
148.04726	1.0
149.05966	4.7
150.05482	1.0
151.03896	0.1
155.04875	0.1
158.06021	0.2
161.05960	0.1
162.03143	0.2
163.03909	0.6
163.07512	0.1
165.05484	0.2
175.07410	0.1
177.05455	100.0
178.05853	1.9
185.09227	0.1
186.05470	1.1
187.07515	0.1
189.05415	0.1
194.04523	0.1
195.06511	1.6
196.06020	0.9
203.07004	0.1
205.04959	0.2
207.06526	0.1
215.07024	0.1
217.08556	0.1
219.06633	0.1
227.11726	0.1
231.06424	0.1
233.08057	0.1
238.06844	0.1
261.07520	0.3
267.60095	0.1
273.07480	0.1
291.08588	0.1
303.08731	0.1
309.09650	0.4
321.09683	4.2
322.10062	0.1
339.10736	8.7
340.11185	0.3
342.09698	7.6
343.10043	0.3
358.11435	0.2
372.10992	0.1
501.16006	3.6
502.16479	0.2
504.14993	1.0
696.21637	0.1
922.43188	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07367	2.6
71.59010	1.3
79.05476	1.2
81.07035	1.8
83.08617	1.4
86.09704	27.3
91.05441	1.0
95.08602	1.2
96.57439	0.9
98.98473	3.6
104.10727	2.5
107.51580	0.7
109.10155	1.6
119.57566	0.8
123.67552	0.8
125.00006	18.6
146.98264	0.8
172.95250	1.8
184.07336	100.0
185.07632	1.7
190.96275	1.1
192.87186	0.8
208.89987	0.7
210.96811	0.7
228.97894	1.2
229.14471	1.0
263.89340	0.8
298.21637	0.7
335.25659	2.2
446.64499	0.8
471.93939	1.0
503.15524	0.8
504.34149	2.1
513.46497	0.8
522.35559	16.9
523.35486	1.1
529.38629	1.1
544.33472	1.7
583.17438	1.0
588.99243	0.9
980.84064	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	1004.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05006	0.1
78.04711	0.2
81.03407	0.4
85.02898	1.8
86.09680	0.1
87.04466	0.1
89.03908	3.7
91.05475	1.9
95.04980	0.1
97.02877	0.6
99.04448	0.2
105.03312	0.1
106.04166	0.2
109.02865	0.3
117.03369	10.3
119.04931	5.7
124.05199	0.1
127.03899	1.3
132.04486	0.2
134.03595	0.8
135.04388	0.7
137.05971	0.1
145.02835	33.6
146.03180	0.5
147.04396	30.7
148.04765	0.6
149.05965	3.3
150.05470	0.6
158.05933	0.2
162.03087	0.1
163.03896	0.4
165.05406	0.1
177.05453	100.0
178.05849	1.2
184.47488	0.1
186.05476	0.8
187.07565	0.1
195.06502	1.7
196.05991	0.6
205.04996	0.2
231.06519	0.1
243.06598	0.1
261.07495	0.3
285.07730	0.1
291.08524	0.1
303.08664	0.2
309.09662	0.2
321.09665	4.8
339.10724	11.3
340.11163	0.3
342.09692	6.4
343.10144	0.1
358.11227	0.1
501.16000	7.9
502.16406	0.2
504.14685	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	991.5786
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	0.2
71.45390	0.1
78.95772	7.9
83.04903	0.3
99.56079	0.1
122.00035	0.3
122.04877	0.1
122.10832	0.1
127.07520	0.2
140.01074	2.7
152.99496	1.0
171.00575	0.1
196.03748	1.5
197.11714	0.1
205.19543	0.2
208.14394	0.1
214.04790	3.7
220.66603	0.1
233.15463	0.1
233.22708	0.5
247.16414	0.1
257.18918	0.1
259.20676	0.6
269.74323	0.1
275.13141	0.1
275.20096	0.5
277.21695	100.0
278.22034	7.4
297.51065	0.1
378.28397	0.1
474.26202	55.4
475.26563	5.3
502.45325	0.1
547.49103	0.1
599.87555	0.1
636.52283	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	991.5795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69511	0.2
71.51022	0.3
71.51434	0.4
75.32681	0.2
76.45590	0.2
78.95773	31.0
110.27480	0.2
112.83284	0.2
119.09425	0.3
122.00023	1.4
127.07547	0.2
134.98396	0.5
140.01071	7.6
152.99489	2.9
166.02658	0.2
171.00517	0.3
196.03728	13.2
206.11987	0.3
214.04788	3.0
217.84720	0.3
233.22653	0.8
259.20679	0.8
268.66385	0.2
275.20166	0.6
277.21704	98.1
278.22040	7.4
282.85400	0.2
403.76187	0.2
474.26215	100.0
475.26544	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	995.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	0.1
71.41415	0.1
78.95773	6.9
83.04891	0.1
87.53783	0.1
87.79586	0.1
88.98665	0.1
94.69356	0.1
122.00003	0.2
140.01080	2.4
152.99500	0.9
171.00467	0.1
196.03711	1.0
214.04796	2.9
215.05135	0.1
261.22302	0.4
262.22650	0.1
279.23270	100.0
280.23608	8.0
476.27792	49.5
477.28131	5.3
690.84778	0.1
760.62659	0.1
873.79559	0.1
899.43750	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	997.5866
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49856	4.8
74.91150	3.0
78.95760	30.5
85.96409	3.1
106.81836	2.8
126.35027	2.8
133.01331	3.7
152.99477	42.2
153.75935	2.9
162.88640	2.9
171.00511	12.7
174.46333	3.4
188.04324	3.0
245.04279	62.2
253.21651	27.4
296.95294	3.2
456.84534	3.6
481.25705	100.0
482.26025	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	988.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49924	8.5
71.01255	6.4
73.02825	2.3
83.01251	1.2
85.02812	2.7
85.40218	1.3
89.02306	5.0
92.04935	1.8
96.14875	1.2
97.02788	1.5
101.02328	7.5
109.02773	1.3
113.02309	3.6
113.03078	1.2
117.03365	12.5
119.03410	1.5
120.04424	1.3
121.02853	1.2
122.05965	1.6
123.04410	1.8
131.03387	1.7
132.02040	4.0
132.04373	2.7
133.02849	42.7
135.04385	9.1
145.02859	40.6
146.02240	1.6
147.03168	3.0
147.60725	1.1
148.03946	53.4
149.04622	5.2
150.05513	93.4
151.05855	3.5
160.01544	1.4
160.03954	1.5
161.02354	100.0
161.04489	4.4
161.48843	1.2
162.02649	3.8
164.03406	1.4
174.05463	3.4
179.03375	5.1
179.05473	1.1
194.04524	81.7
195.04878	3.7
202.05031	1.8
221.06537	3.4
252.09981	1.3
296.09341	10.5
297.09549	1.6
340.08365	1.6
401.18192	2.2
493.58734	1.3
520.18884	1.4
647.18176	11.1
648.18567	1.5
651.51361	1.3
680.20471	32.7
681.20239	3.4
826.24188	35.1
827.24329	7.5
842.23688	61.1
843.23761	9.5
895.84845	1.6
988.27466	30.1
989.27576	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	988.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18670	0.8
71.01257	9.5
71.49185	0.8
71.49640	1.5
73.02815	2.2
73.71880	0.8
77.98874	0.8
83.01228	1.4
85.02827	3.0
87.00739	0.8
89.02308	3.8
92.04945	1.3
93.03326	1.3
95.01248	1.2
97.02853	1.8
101.02334	6.1
102.94054	0.8
104.04911	0.8
105.03316	1.3
108.79995	0.9
109.02821	1.6
113.02353	4.0
115.01807	0.8
117.03365	11.2
119.03365	1.4
120.04433	1.0
120.35062	0.8
121.02815	2.0
122.05965	1.9
123.04375	1.6
125.02314	1.7
131.03560	2.3
132.02045	3.8
132.04440	2.7
133.02855	52.5
134.03189	1.1
135.04420	11.1
145.02856	36.1
146.03239	1.0
146.06006	1.1
147.03152	1.7
147.04495	0.7
148.03947	57.0
149.04758	5.6
149.81667	0.9
150.05511	100.0
151.05862	3.9
160.03891	1.5
161.02350	97.2
161.04266	5.5
162.02686	3.2
162.05450	1.0
164.03450	2.7
164.07079	1.4
172.20955	0.8
174.05573	3.9
176.03403	1.3
179.03392	5.1
179.05379	1.3
192.06557	1.4
194.04515	76.5
195.04854	2.4
202.05020	3.1
203.03377	1.0
221.06673	2.7
262.13751	0.7
296.09265	9.8
340.08105	1.5
481.91803	0.9
518.15063	0.8
647.18451	8.0
648.18964	1.7
680.20404	36.1
681.20758	3.3
826.24225	35.0
827.24164	4.9
842.23651	55.9
843.24084	8.8
988.27307	28.9
989.27362	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	988.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99687	1.0
69.03326	0.8
71.01244	14.4
71.49702	1.3
72.99178	2.1
73.02821	3.9
75.00735	6.1
83.01250	2.8
85.02822	8.7
86.58465	0.9
87.00740	5.0
87.04394	1.4
89.02303	3.1
95.01260	2.1
99.00766	6.5
101.02313	7.6
113.02305	4.8
115.03891	1.2
117.64588	0.9
119.03388	1.4
121.02836	1.0
131.03389	3.3
143.03354	3.5
163.05981	1.5
177.60117	1.0
205.07112	3.0
251.54604	0.8
272.24982	0.8
439.35696	2.9
492.99994	1.0
509.39377	1.5
637.71710	0.9
925.51611	100.0
926.52020	24.5
926.66901	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	987.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	0.9
71.01254	8.8
71.49673	0.4
72.99172	0.7
73.02824	1.7
75.00744	0.3
81.03342	0.3
83.01238	1.2
83.04893	0.5
85.02821	1.4
85.06492	0.3
87.00741	2.1
89.02316	6.8
95.01266	0.6
97.02846	1.6
99.00746	0.4
99.08032	1.0
101.02315	6.5
111.04430	0.3
113.02325	3.3
113.09605	1.1
113.34246	0.3
119.03374	2.6
123.08059	0.3
125.02325	3.6
125.09600	1.2
127.11171	2.0
129.09114	2.0
133.04982	0.3
135.44250	0.3
139.03862	0.3
139.11185	3.1
143.03421	1.7
149.04514	0.3
151.11180	0.6
151.70245	0.3
153.09152	0.3
155.10657	1.2
161.04453	1.5
167.10719	0.7
169.12231	1.2
171.10175	19.1
172.10484	0.5
179.05525	1.5
181.12227	1.4
183.10210	1.6
183.13879	0.5
185.11729	2.9
193.12297	0.6
196.40018	0.3
197.11746	3.4
199.13347	1.7
201.11246	3.6
209.97131	0.3
211.13342	5.8
213.87234	0.3
221.06567	0.6
224.37047	0.3
226.16238	0.3
235.08195	3.8
245.06297	0.4
253.09294	0.7
263.07736	0.4
265.21671	0.4
275.20016	1.6
276.94971	0.4
277.21707	22.0
278.22098	1.9
287.07648	1.5
293.21207	8.7
293.24515	0.5
294.21527	0.6
305.08801	1.6
311.22260	100.0
312.22589	8.3
323.09717	0.6
397.13474	37.1
398.13806	3.1
400.50473	0.3
415.14505	12.0
416.15024	0.9
675.36188	1.5
676.35925	0.5
725.59918	0.3
761.87561	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	991.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	0.2
69.19897	1.5
71.01254	10.4
72.99176	1.1
73.02820	0.3
83.01271	0.6
83.04901	2.3
85.02818	2.4
87.00745	0.4
89.02322	7.8
91.05393	0.4
93.06981	2.1
95.01258	1.0
98.20504	0.3
98.40836	0.1
101.02320	5.4
113.02331	3.6
113.03083	0.3
119.03392	2.7
119.04877	1.0
120.05692	0.1
123.07996	0.2
131.03450	0.2
131.12311	0.1
133.06500	0.2
133.09145	0.2
133.10132	2.6
143.03403	0.3
144.05727	0.5
145.06488	3.2
147.11752	0.2
148.03963	0.2
149.04512	0.2
150.05531	0.2
157.06528	0.2
157.10158	1.4
158.07307	0.6
159.08070	2.9
160.08850	28.0
161.04506	0.2
161.09189	1.4
161.13255	0.4
173.09642	4.7
174.10083	0.4
175.11203	48.6
176.11542	2.4
179.05534	0.7
185.00882	0.2
185.13332	0.1
187.11194	0.6
193.12267	0.2
205.12253	0.6
219.10214	30.0
220.10600	1.6
229.12427	0.2
247.13422	0.2
249.11287	1.0
257.11499	0.1
299.94980	0.1
385.18704	0.5
399.16580	100.0
400.16922	7.4
411.16696	1.1
429.17621	2.6
430.18054	0.1
437.88354	0.1
591.22974	2.3
592.23303	0.3
729.86627	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	976.5905
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88605	0.1
69.23149	1.0
69.23559	0.4
78.95774	30.7
85.64967	0.2
88.33559	0.1
91.43821	0.1
96.96835	2.5
98.16074	0.1
98.20560	0.3
99.21774	0.1
150.97910	0.8
152.99490	43.1
153.99838	0.5
171.00558	12.2
172.01042	0.2
209.11766	0.3
224.69832	0.1
227.03223	2.5
236.88315	0.1
245.04285	57.4
246.04620	1.5
249.75909	0.2
253.21709	24.8
254.22003	1.6
255.23274	0.2
277.21707	2.1
277.24548	0.2
278.22079	0.9
279.23297	0.3
322.12695	0.2
445.23599	0.6
446.23685	0.7
481.25708	100.0
482.26056	9.2
529.30249	0.3
530.30640	0.5
778.02435	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	982.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22469	1.2
69.22868	5.5
74.51014	0.5
78.95779	14.2
79.36159	0.5
96.95870	1.9
96.96867	1.6
104.99326	0.6
125.79447	0.5
133.34390	0.6
152.99501	19.0
153.41284	0.6
171.00598	1.8
227.03232	2.5
235.78661	0.5
245.04295	2.9
266.71411	0.6
277.21725	100.0
278.22055	7.4
279.23267	1.7
476.27759	2.3
486.35101	0.7
505.25754	87.7
506.26062	10.3
536.09790	0.7
983.45923	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	985.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	0.2
69.58224	0.2
69.74143	0.2
71.01249	3.1
71.04888	0.2
71.49506	0.3
73.02808	0.6
79.95582	0.2
80.02567	0.2
81.03334	0.2
83.01257	0.3
83.04885	0.6
85.02837	0.8
87.00746	0.6
89.02314	2.6
95.01217	0.2
95.04820	0.2
97.02815	0.5
97.06483	0.2
99.00793	0.4
101.02325	2.6
109.06474	0.3
111.00755	0.2
111.04397	0.2
111.08028	1.6
113.02303	1.2
119.03412	0.6
123.04460	0.2
123.08080	0.3
125.02341	1.3
125.09612	0.7
127.11195	1.3
129.09120	0.4
135.04469	0.2
135.08008	0.2
137.05978	0.3
137.09596	0.3
141.09064	0.3
143.03354	0.4
149.09622	0.2
151.03983	0.3
151.07574	0.8
151.11182	0.7
152.08301	0.2
153.09125	0.5
153.12741	3.0
155.10641	1.0
161.04459	0.7
163.11200	0.4
165.12744	0.8
167.10646	1.4
169.12285	0.9
179.05505	0.6
179.10666	0.4
179.14267	1.6
181.12245	2.4
193.15900	0.5
197.11734	2.0
199.13359	0.9
207.13841	1.5
209.15326	0.7
211.13445	0.2
211.91727	0.2
213.14861	0.3
215.12749	1.2
217.16040	0.3
225.11444	0.2
226.12082	0.5
227.12877	1.0
228.13582	0.6
231.17422	0.3
235.08128	1.2
237.22133	0.2
247.20633	3.5
252.10132	0.2
253.09203	0.2
263.20135	0.5
265.17938	0.2
265.21667	0.7
267.89349	0.2
273.18585	1.9
275.16983	0.2
277.21722	7.6
278.21991	0.5
281.21243	1.5
287.07788	0.3
291.19650	22.2
292.20139	1.7
305.08801	0.5
308.19223	0.4
309.20685	100.0
310.21033	6.5
323.09775	0.2
397.13474	13.5
398.13913	1.0
404.19839	0.2
415.14557	3.9
416.14975	0.4
889.91040	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	987.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03295	0.1
70.88460	0.1
71.01254	1.4
71.45202	0.2
71.45536	0.1
73.02805	0.2
76.28858	0.1
82.59229	0.1
83.01249	0.1
83.04905	0.1
84.02102	0.1
85.02827	0.3
87.00747	0.3
87.15686	0.1
89.02320	0.9
92.45505	0.1
96.17950	0.1
97.02828	0.3
97.06447	0.2
99.08013	0.2
101.02312	1.0
113.02315	0.4
113.09605	0.7
114.56655	0.1
115.07527	1.0
116.92753	0.1
119.03372	0.2
125.02332	0.4
127.07544	0.5
128.08322	0.5
133.90402	0.1
139.11172	0.3
143.03442	0.1
161.04453	0.3
167.10777	0.1
167.14308	2.2
167.46622	0.1
168.14742	0.1
171.10052	0.1
179.05553	0.3
183.13831	1.9
195.13831	8.9
196.14180	0.4
211.13339	0.7
213.14934	0.9
235.08122	0.4
239.23811	0.3
240.13708	0.1
241.14456	0.5
242.15161	0.9
249.22203	0.4
253.09058	0.1
265.21759	0.5
267.23245	0.7
275.20206	0.4
277.21707	3.2
278.21994	0.4
283.22723	0.4
293.21213	6.7
294.21463	0.4
305.08618	0.2
309.20660	0.3
310.21140	0.1
311.22250	100.0
312.22601	7.5
397.13458	4.5
398.13580	0.5
415.14468	1.7
675.35669	0.2
831.15240	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	972.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	0.7
69.60999	2.5
69.61408	0.8
71.01252	5.3
73.02814	1.1
73.77694	0.5
83.01274	0.8
85.02811	1.5
87.00762	0.9
89.02325	2.4
89.03867	0.7
92.04931	1.2
93.03356	1.4
97.02833	1.2
101.02318	5.6
104.04932	0.5
109.02850	1.3
113.02347	2.4
117.03347	36.7
118.03694	1.1
119.03442	1.6
119.04916	10.6
120.04463	1.4
121.02821	0.9
122.05996	1.6
123.04428	0.9
125.02363	1.4
131.03546	1.4
132.04428	2.9
145.02858	100.0
146.03244	2.9
146.06013	1.6
147.03166	2.0
148.03949	47.5
149.04721	4.7
150.05513	79.9
151.05887	2.7
160.03947	1.7
161.04442	1.5
162.05527	0.9
163.02563	0.6
163.03915	7.4
164.03473	1.7
174.05544	1.6
174.53815	0.5
179.05478	0.9
185.00853	0.7
186.05530	0.5
187.03989	0.5
190.04993	1.1
192.06583	1.4
194.04521	60.7
195.04846	1.9
202.05022	2.4
216.06633	0.5
221.06642	2.0
252.10374	1.0
277.52945	0.5
296.09268	8.7
297.09567	0.6
340.08243	5.3
383.11615	0.6
395.24710	0.6
399.16727	1.4
477.71588	0.6
631.18927	3.3
662.19708	0.9
680.20374	18.6
681.20905	1.9
782.24030	0.7
826.24139	71.0
827.24316	9.8
972.27838	20.3
973.27710	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	972.278
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76247	0.4
69.03299	0.4
69.92343	1.7
69.92709	0.7
71.01254	4.8
73.02814	1.3
77.29626	0.3
80.17831	0.4
83.01257	0.8
85.02831	1.6
87.00746	0.8
89.02307	2.6
92.04929	1.2
93.03340	1.4
95.01279	0.5
97.02839	1.3
99.00793	0.4
99.35283	0.4
101.02324	5.3
104.04947	0.7
109.02814	0.9
113.02344	2.5
117.03352	39.7
117.08535	0.3
118.03691	1.0
119.03412	1.3
119.04918	10.2
120.04446	0.6
120.05254	0.5
121.02843	1.2
122.06025	1.2
123.04414	1.4
125.02340	1.3
130.02834	0.5
131.03564	1.5
132.04451	2.4
138.01892	0.5
143.03406	0.7
145.02856	100.0
146.02222	0.6
146.03252	3.3
146.06023	1.1
147.03142	2.5
147.04314	0.8
148.03946	44.5
149.04749	3.5
150.05510	82.3
151.05844	2.3
159.03020	0.5
160.01501	0.4
160.03937	1.7
161.04474	2.9
161.05853	0.5
162.05540	1.5
163.03917	8.0
164.03403	1.9
164.07063	0.9
167.06842	0.4
171.23996	0.3
173.87595	0.4
174.05542	2.2
176.03410	0.6
179.05533	0.8
179.16171	0.4
187.04002	0.4
190.05054	0.4
192.06544	1.0
194.04518	59.8
195.04828	1.7
202.05014	2.6
204.06705	0.5
204.65689	0.4
205.05029	0.4
216.06679	0.5
221.06537	1.7
236.05600	0.6
252.10320	0.7
268.09708	0.5
278.93393	0.4
296.09277	9.1
340.08215	5.0
350.78149	0.4
372.86469	0.3
401.18335	0.7
590.59351	0.4
631.18805	2.7
662.19342	1.1
680.20398	19.9
681.21179	1.6
782.24921	0.5
808.21967	0.6
826.24127	71.8
827.09845	0.7
827.24353	9.6
972.27740	18.3
973.27985	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	971.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87595	0.6
69.88013	1.0
71.01274	0.3
78.95776	9.7
121.99947	0.4
127.07542	0.3
140.01041	2.5
152.99486	0.6
196.03677	1.6
212.23615	0.3
214.04817	4.1
259.20511	0.4
275.20056	0.4
277.21707	100.0
278.22037	7.5
345.00195	0.3
474.26227	55.4
475.26599	5.9
790.89954	0.4
814.76056	0.4
927.26807	0.4
971.51343	5.6
972.52307	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	971.5958
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84354	2.6
70.84724	8.0
71.01250	25.4
72.99175	3.4
73.02815	4.1
77.09777	2.4
83.46457	2.5
85.02805	7.9
87.00736	4.9
89.02339	15.2
95.96585	3.0
97.02831	3.8
101.02332	15.5
106.34399	2.5
113.02328	11.3
119.03381	7.9
120.11919	2.5
125.02307	12.2
155.41302	3.0
156.95872	3.0
161.04401	5.1
171.10182	4.3
195.13858	4.2
223.13347	5.6
235.08139	11.2
253.09149	3.4
270.83127	3.2
275.20087	14.4
279.23279	66.5
280.23691	5.4
287.07581	3.8
293.18082	2.9
293.21222	77.6
294.21530	5.5
343.22711	2.6
397.13464	100.0
398.13980	5.9
415.14557	34.2
439.92767	3.0
677.37469	7.0
942.50323	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	971.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44360	11.3
71.01250	52.2
72.99169	4.8
73.77193	1.7
77.08878	1.4
81.38828	1.5
83.01262	2.5
85.02826	10.9
87.00740	6.1
89.01758	3.5
89.02314	70.3
93.03300	1.9
95.01252	6.8
96.95872	2.3
98.19880	2.1
101.01709	2.4
101.02325	33.8
108.02058	2.1
113.02331	24.9
116.92718	1.8
117.03318	3.9
119.03385	32.4
121.02822	8.3
122.03635	16.8
123.04391	1.9
125.02250	1.5
131.03368	3.8
133.01326	2.3
133.02803	3.6
134.03625	2.4
135.04457	2.8
136.01558	17.2
137.02299	5.5
143.03435	7.5
145.02837	8.3
146.03604	3.7
147.04417	2.9
149.02353	22.9
149.04417	3.0
150.03125	100.0
151.00290	6.1
151.03918	25.3
161.02391	7.7
161.04489	7.9
161.05812	2.4
162.03128	65.2
163.03667	1.9
164.04666	4.1
165.01825	9.9
165.05470	88.5
166.02625	16.2
166.05824	3.1
174.41843	1.6
177.01918	2.5
177.05479	41.2
179.03743	2.6
179.05536	23.5
179.07019	2.8
180.04221	12.3
181.04977	20.6
193.04971	2.4
195.06554	66.6
196.06871	2.0
205.04910	1.9
207.06505	2.2
357.11948	6.1
372.12122	1.6
380.42233	1.6
387.14536	7.4
388.96439	1.6
417.15582	7.4
425.83978	1.7
565.20502	3.2
577.20660	9.7
613.22510	4.7
718.30084	1.9
725.26050	2.8
748.80786	1.7
773.27832	7.3
775.28333	3.7
809.30292	3.0
971.34381	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	971.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	1.4
71.49983	0.7
79.95235	0.6
82.52336	0.8
93.03316	4.5
95.01273	1.0
96.95850	2.0
101.73038	0.8
108.02065	1.0
109.02830	2.5
120.01140	1.1
121.02832	7.0
122.02827	1.4
122.03625	15.7
123.04425	1.5
124.01545	1.4
132.02048	1.1
132.32567	0.8
133.02831	2.9
134.03615	3.9
135.04395	1.4
136.01595	5.4
137.02345	7.9
138.03070	0.9
139.16068	0.8
145.02792	1.3
146.03630	1.5
147.04356	1.2
149.02341	33.6
149.05994	4.5
150.03125	100.0
151.00261	2.0
151.03918	16.6
151.66528	0.8
152.01044	1.3
152.04645	1.3
154.39183	0.8
159.04359	0.8
160.01521	1.0
161.02330	1.3
161.05952	0.8
162.03084	2.0
163.03830	0.9
164.04706	7.6
165.05476	88.0
166.02649	8.0
166.05824	2.7
167.03340	1.9
175.03899	2.0
177.01854	0.8
177.05450	3.2
178.02586	1.0
179.03477	1.4
179.07047	8.3
180.04179	7.7
181.04965	10.6
184.03647	1.2
193.04903	0.8
195.06544	40.1
205.04918	3.8
206.05772	1.1
206.65767	0.8
217.45222	0.7
219.06563	1.8
220.07347	2.4
315.08792	1.2
329.10593	0.8
369.13263	0.8
371.10947	0.8
387.10556	1.1
402.13474	1.3
403.13907	1.1
416.14914	2.0
417.15591	8.4
535.16052	1.6
550.17938	1.3
564.19891	2.5
565.20795	24.4
566.21008	2.3
595.21808	3.7
613.22925	12.1
619.21869	1.9
667.23987	2.1
713.25922	17.3
714.26385	2.0
725.26727	1.0
743.26971	9.9
744.27557	1.4
761.28088	20.1
762.27991	2.4
773.27850	2.3
791.28973	6.3
809.30096	21.3
810.30316	3.1
820.01282	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	971.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62611	1.2
70.62977	1.5
71.01252	60.7
72.99174	6.4
73.02808	1.7
78.85489	0.7
83.01257	2.3
85.02821	11.9
87.00741	5.3
89.02316	70.9
90.02602	0.9
93.03329	4.4
95.01275	5.1
95.04897	0.8
96.95901	1.4
97.02866	0.9
98.19931	0.7
101.02320	34.9
108.02055	2.2
109.02853	3.1
113.02328	24.4
115.44522	0.7
117.03357	2.2
118.39993	0.6
119.03390	32.8
120.01176	1.1
121.02837	7.0
122.03630	13.4
123.00755	2.1
123.04401	2.5
124.01530	1.9
125.02322	1.6
131.03419	4.5
132.01993	0.9
133.02827	3.9
134.03633	2.6
135.04431	1.7
136.01549	33.0
137.02365	10.6
138.02960	0.7
139.00287	1.0
143.03392	7.0
145.02843	13.1
146.03632	10.6
147.04402	3.1
148.05237	1.0
149.02347	31.1
149.04448	3.6
149.05775	1.2
150.03128	100.0
151.00319	5.8
151.03914	64.4
151.05228	0.8
152.01036	1.3
152.04474	2.1
153.01826	3.3
153.05511	0.9
155.40303	0.7
159.04431	1.1
160.05235	1.1
161.02357	10.2
161.04474	7.4
161.05966	7.1
162.03133	71.6
163.03638	3.1
164.04706	5.5
165.05476	85.8
166.02618	19.0
166.05823	2.9
167.03278	2.0
175.03893	1.9
176.01114	1.6
177.01868	2.1
177.05482	35.1
178.02710	0.8
178.05783	0.9
179.03273	1.2
179.05550	28.4
179.07066	3.4
180.04228	9.3
180.05789	1.3
181.04976	20.3
184.03732	1.5
187.03928	1.2
190.06337	1.4
191.03387	2.6
192.04190	2.8
193.05000	1.7
194.05782	1.1
195.06548	46.6
196.06982	1.6
204.04285	0.8
205.04932	5.1
206.05495	0.9
207.06577	2.3
219.06610	2.3
220.07425	1.6
225.07642	0.7
249.07620	0.8
285.07745	0.9
297.07355	0.7
314.08026	0.9
315.08597	0.9
329.10367	1.3
340.09079	1.0
356.12332	0.9
357.11963	4.8
369.14108	1.0
372.12323	0.9
373.12885	1.2
387.10397	1.4
387.14630	3.1
401.12329	1.0
402.13358	2.1
403.14331	0.9
416.14685	1.7
417.15521	12.8
421.15216	2.1
535.16028	1.2
549.17889	1.3
550.18323	1.2
563.19141	3.8
564.20117	2.1
565.20782	20.5
566.21051	2.3
577.20746	12.0
578.21606	1.0
595.22125	1.8
612.21863	1.7
613.22784	9.5
614.23224	0.9
619.22180	1.3
650.45612	0.8
725.25995	27.5
726.26538	4.6
755.27155	2.0
761.28192	3.7
773.28198	17.6
774.28516	2.7
775.28296	1.5
809.30542	3.1
923.33020	6.1
953.34595	1.7
971.34833	7.1
972.35413	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	963.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99416	0.4
78.95776	30.7
96.96846	2.4
111.25140	0.2
141.95377	0.2
150.97945	0.4
152.99495	47.1
153.99843	0.8
159.38571	0.2
171.00555	13.8
172.00880	0.3
227.03217	2.5
227.71150	0.2
245.04292	62.7
246.04607	2.0
253.21715	25.5
254.21992	2.2
292.34045	0.2
481.25723	100.0
482.26044	10.6
488.44955	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	963.6863
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80505	0.5
81.03329	7.7
82.03619	0.4
83.04895	16.4
84.05208	0.4
91.12581	0.3
96.95915	0.3
107.06072	0.3
107.76230	0.3
108.04417	0.6
115.47324	0.3
125.07085	1.1
126.05489	0.3
126.53095	0.3
128.89259	0.4
143.08170	0.4
157.13390	0.3
176.84392	0.3
201.45013	0.3
207.14948	1.3
224.17624	2.8
225.16037	10.8
226.33423	0.3
234.97139	0.3
242.18738	0.7
285.25052	0.3
301.03561	0.3
309.21844	0.9
324.26477	0.5
333.23019	0.9
341.29239	1.1
351.24429	0.4
367.27023	0.9
433.31882	1.2
434.14432	0.3
450.34390	1.0
451.32846	8.9
452.33304	0.8
516.38989	0.4
550.43445	0.6
567.45648	0.6
643.70471	0.3
676.50629	0.3
677.49396	1.7
736.61877	0.4
776.60345	0.4
848.18909	0.3
885.65631	0.5
903.66479	100.0
904.66815	23.0
904.85547	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	966.659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51056	8.0
69.51488	2.1
69.68121	1.5
71.01269	1.5
81.03326	2.1
83.04893	5.3
89.02316	1.2
96.95878	3.8
100.79279	1.4
123.99447	1.3
135.04414	2.5
148.03941	1.9
161.02324	2.2
207.14833	1.4
225.16019	4.5
226.16248	3.1
399.99509	1.2
451.32443	1.7
453.33490	1.6
663.69220	1.4
904.65942	2.8
905.66827	22.1
906.67316	39.9
907.66479	2.2
966.66034	100.0
967.66101	22.4
967.97369	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	967.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	0.9
71.01252	24.1
71.49783	0.7
72.99183	2.0
73.02828	3.1
81.03322	0.9
83.01269	3.0
85.02843	4.6
87.00748	5.3
89.02316	19.3
91.03905	0.6
91.05709	0.6
95.01279	1.4
97.02825	3.9
99.00746	1.5
101.02325	19.8
113.02327	8.9
115.03861	1.0
119.03405	5.9
125.02332	9.3
129.80035	0.6
131.00610	0.6
131.03427	1.0
133.04932	1.1
139.03831	0.9
143.03410	3.5
145.16124	0.7
161.04474	4.7
165.12753	9.4
179.05571	3.8
221.06659	1.5
234.57242	0.6
235.08183	8.5
247.20590	5.2
253.09315	1.7
263.07687	1.1
273.18640	2.3
277.21722	55.8
278.21967	4.2
287.07642	3.5
291.19656	31.2
292.20096	1.9
305.08759	4.3
323.09952	1.1
379.12808	1.0
397.13495	100.0
398.13779	5.6
415.14572	33.4
416.14731	1.6
675.36194	3.6
925.67981	0.7
950.80292	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	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	0.9
69.79089	4.9
70.67933	0.8
71.01247	15.3
72.49178	0.7
72.99177	1.3
73.02832	3.1
83.01257	1.2
85.02829	4.4
87.00739	4.7
89.02312	13.3
95.01279	1.5
96.95910	1.6
97.02831	2.5
101.02316	11.1
113.02330	6.6
115.88055	1.1
119.03385	3.2
125.02331	5.6
143.03407	1.9
156.56758	0.8
161.04440	3.1
179.05536	3.5
183.13829	6.9
193.12277	1.5
205.54094	0.8
211.13324	100.0
212.13612	4.5
217.07111	1.1
235.08199	3.9
253.09216	1.4
277.21713	57.7
278.22052	3.7
287.07867	1.3
305.08853	1.5
321.67322	0.9
323.09784	1.5
379.12418	14.9
380.12717	1.4
397.13443	45.3
398.13834	3.1
415.14633	7.7
591.26404	8.4
609.27734	5.6
614.48309	0.9
657.34857	2.7
658.33435	1.0
675.35907	5.8
676.36414	2.1
843.16528	1.1
869.49292	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	963.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36153	0.5
71.01254	2.4
73.02821	0.6
80.57578	0.2
83.01252	0.2
85.02830	1.2
89.02336	0.8
95.01246	1.9
99.00758	0.3
101.02309	1.4
108.02035	1.5
109.02838	2.3
109.25739	0.2
113.02343	0.7
115.05418	0.2
115.58721	0.2
121.02847	0.4
123.00768	1.4
124.01492	0.3
133.06485	28.8
134.06815	0.8
137.02322	1.1
138.03125	46.4
139.03490	1.0
149.02341	3.0
153.05476	100.0
154.05800	3.0
161.04477	1.2
177.01875	2.8
191.03410	1.1
192.04213	4.2
207.06560	16.4
208.06892	0.9
224.03217	6.7
225.03534	0.3
239.07108	0.3
313.10806	70.7
314.11151	4.4
315.18103	1.3
319.68094	0.2
355.05997	0.2
357.19162	0.6
457.14777	0.5
475.15930	0.7
517.17126	33.1
518.17426	3.4
638.58740	0.3
646.86475	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	960.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60655	0.4
69.64732	2.3
69.65139	0.9
78.95774	25.3
82.38557	0.4
84.49895	0.4
87.00823	0.4
92.67822	0.4
96.96843	2.1
98.19869	0.6
101.30932	0.4
139.35999	0.4
152.99490	36.6
153.99808	0.7
154.29207	0.4
163.29739	0.4
171.00555	11.4
175.02411	0.8
206.38055	0.4
227.03273	1.9
245.04280	54.2
246.04617	1.3
251.17203	0.5
253.21701	24.4
254.22076	1.6
277.21686	0.5
279.23276	1.1
281.24887	3.4
282.25079	1.9
283.25488	0.7
346.92859	0.4
478.29282	2.3
479.30161	0.7
481.25696	100.0
482.26019	9.4
507.26993	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	961.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	1.7
71.01254	15.2
71.21040	0.7
71.49856	1.0
72.99158	1.2
73.02815	2.1
81.03322	1.0
83.01261	2.3
85.02812	3.4
87.00757	4.5
89.02316	13.1
95.01266	0.8
97.02827	2.1
101.02318	9.1
113.02329	7.6
119.03385	3.3
125.02352	5.9
143.03394	2.3
146.59537	0.8
161.04430	3.5
179.05519	3.5
183.13852	6.9
193.12428	1.7
211.13333	100.0
212.13675	5.7
221.06639	0.8
235.08157	5.3
253.09201	1.0
277.21722	51.6
278.22113	4.0
287.07690	1.9
305.08737	1.7
379.12445	10.1
397.13467	39.4
398.13843	2.1
410.79538	1.0
415.14569	7.0
416.14761	0.8
591.26544	11.5
592.26685	2.0
609.27570	11.3
610.28638	1.3
657.34943	1.9
658.35980	1.1
675.35779	4.4
869.48993	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	959.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	4.0
70.71841	2.7
71.01247	28.1
72.99156	2.4
73.02817	16.5
83.01253	8.0
85.02821	12.5
87.00749	12.7
87.04411	1.3
89.02327	8.5
89.03841	1.7
95.01246	3.0
97.02821	11.7
99.00748	2.6
101.02318	42.9
103.03858	2.1
113.02313	12.0
115.03883	3.3
117.03360	5.4
119.03375	3.6
125.02336	9.8
126.16442	1.2
131.03363	4.2
132.02078	18.8
133.02870	1.7
134.03627	82.3
135.04042	3.5
137.02312	3.5
139.03874	1.6
141.01756	1.0
143.03389	9.0
145.04982	1.3
147.04367	1.7
149.05980	9.8
151.04001	1.2
151.06023	6.7
160.01563	74.6
161.02220	2.1
161.04457	9.3
163.06038	2.5
175.03912	68.2
176.04643	5.4
178.02599	11.5
178.04024	1.1
191.07057	5.2
193.04984	47.3
194.05424	1.5
202.06303	1.2
205.07031	2.7
205.83192	1.0
207.06560	1.4
221.06601	3.7
235.06120	6.8
235.08186	1.6
247.08112	1.9
259.06039	2.9
295.08215	1.2
430.52530	1.1
446.00739	1.3
463.14813	1.0
489.15460	1.8
633.20404	1.2
748.53802	1.1
783.27405	1.4
959.32373	100.0
960.32703	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	954.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19682	1.2
77.12206	0.1
77.14708	0.1
78.95775	56.9
96.96844	6.8
98.19865	0.2
150.97945	2.0
152.99490	100.0
153.99829	1.3
163.16730	0.1
171.00552	4.0
173.85152	0.1
207.40802	0.1
220.58372	0.1
227.80254	0.1
245.04266	0.2
279.23187	0.6
309.36298	0.1
349.28491	0.1
390.03564	0.1
433.23581	35.4
434.18008	0.2
434.23859	3.4
744.89874	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	958.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99707	1.0
69.67747	0.7
69.74901	4.1
71.01252	17.0
72.99178	1.8
73.02810	5.0
75.00748	7.5
80.70496	0.8
83.01250	2.5
85.02822	12.3
85.99981	0.8
87.00735	3.9
89.02310	1.2
95.01266	2.3
96.95926	0.9
99.00758	9.7
101.02299	2.4
113.02345	6.8
113.29939	0.8
115.03894	1.9
131.03421	5.0
143.03383	4.6
143.04408	0.9
149.34021	0.7
163.06049	1.0
195.01973	0.8
205.07162	1.7
249.82268	0.9
302.41458	1.0
332.41757	0.9
338.39905	0.8
376.83792	0.9
439.03818	0.9
439.35931	1.8
895.50610	100.0
896.51056	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	4.1
69.60805	1.4
70.69219	1.3
71.01252	32.3
71.07548	3.0
71.07880	1.7
72.99174	3.3
73.02811	17.5
75.00711	1.5
78.72122	1.4
83.01248	9.9
85.02822	15.1
87.00742	8.6
89.02319	6.7
89.03819	1.8
91.26547	1.6
95.01254	2.1
97.02814	11.8
99.00762	3.9
101.02316	47.4
103.03895	1.5
113.02311	12.2
117.03310	7.0
119.03387	2.1
125.02354	9.4
131.03383	4.1
132.02055	19.5
134.03629	82.4
135.03947	4.2
137.02356	3.3
139.03938	2.4
143.03421	9.1
145.04993	2.3
147.04370	2.1
149.05975	11.0
151.06013	7.7
160.01563	78.6
161.02032	4.4
161.04442	9.5
163.06049	3.1
174.03165	1.6
175.03912	61.5
176.04570	5.3
177.01817	1.5
178.02629	12.6
179.05530	2.7
191.07019	5.4
193.04984	47.0
194.05246	2.6
200.04826	1.5
205.07001	2.7
214.00078	1.7
220.03691	1.7
235.06073	6.9
235.08163	1.6
247.08182	2.6
259.06238	2.3
266.32867	1.4
389.04919	1.6
586.53094	1.8
603.37085	1.6
886.73724	1.8
959.32434	100.0
960.32800	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23306	0.2
78.95776	51.4
83.45824	0.2
96.96846	6.1
116.00095	0.2
150.26202	0.2
150.97928	1.8
152.99490	100.0
153.99817	1.3
171.00558	4.0
277.21756	0.6
431.22006	34.5
432.22336	3.3
432.27731	0.3
543.74213	0.2
881.13507	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	950.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49709	0.1
73.87142	0.1
77.25503	0.1
78.95775	57.2
96.96841	6.9
96.97498	0.1
150.96700	0.1
150.97922	2.2
152.99487	100.0
153.99809	1.1
171.00552	4.4
205.28084	0.1
277.21722	0.6
279.23236	0.1
280.70157	0.1
371.73401	0.1
431.21997	32.8
432.22324	2.7
432.43497	0.1
508.52216	0.1
769.21533	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	950.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34373	0.1
69.34785	0.5
78.95774	58.0
86.84882	0.1
96.96840	7.3
99.83427	0.1
150.97937	2.2
152.99486	100.0
153.99814	1.4
171.00557	4.2
191.67987	0.1
277.21695	0.6
278.22141	0.1
279.23450	0.1
295.24725	0.1
431.21994	33.3
432.22336	3.1
432.28339	0.1
877.38300	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	954.5835
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04080	0.1
71.50362	0.1
73.32889	0.1
73.62443	0.1
76.85308	0.1
78.95773	53.7
96.96839	6.7
100.46321	0.1
104.36294	0.1
106.20743	0.1
107.03256	0.1
150.97926	2.1
152.99486	100.0
153.99820	1.3
171.00548	4.3
192.29323	0.1
279.23297	0.7
326.44641	0.1
433.23578	35.1
434.23901	2.9
565.51367	0.1
572.86584	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	925.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96769	1.0
68.99680	1.4
69.03317	1.1
71.01252	28.6
71.17877	1.4
72.99168	2.5
73.02817	8.9
75.00745	11.4
80.02005	1.0
83.01246	3.2
85.02818	19.1
85.99962	2.5
87.00748	9.4
87.04379	1.7
88.28035	0.9
89.02308	6.5
95.01266	4.3
96.95884	1.0
97.02808	1.5
99.00750	9.9
101.02328	11.7
103.03881	1.3
103.74165	0.8
111.00697	0.9
113.02330	12.1
115.03877	3.0
119.03362	1.2
125.02437	1.1
131.03386	5.3
143.03410	5.9
157.54707	0.9
163.06018	2.0
205.07124	2.9
220.85208	0.8
288.51379	1.1
439.35898	2.6
509.39700	1.6
824.44025	1.1
907.50867	2.0
925.51630	100.0
926.52112	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50732	0.3
78.95778	51.1
96.96850	5.9
96.97379	0.1
96.97490	0.2
112.75455	0.1
112.90561	0.1
150.97920	1.9
152.99495	100.0
153.99854	1.5
171.00569	3.8
245.04283	0.6
253.21681	0.3
254.21912	0.2
279.23325	1.1
314.22675	0.2
317.04126	0.1
418.06458	0.1
433.23596	36.7
434.23950	4.1
434.28629	0.1
481.25519	0.7
482.25940	0.9
670.52368	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	934.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	29.4
87.00751	0.5
96.96847	2.0
107.39415	0.4
115.00230	1.1
120.95695	0.4
151.04225	0.3
152.99495	39.4
153.99884	0.6
159.65512	0.4
171.00558	11.6
175.02377	2.1
178.53732	0.3
213.64616	0.5
213.66713	0.4
221.61676	0.4
227.03270	2.7
245.04286	58.5
246.04633	1.7
249.36833	0.5
253.21715	26.4
254.22026	1.7
255.23293	1.0
452.27792	4.5
481.25723	100.0
482.26071	9.4
915.11273	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	945.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07361	0.2
78.95777	56.1
79.98173	0.1
80.49689	0.1
83.59785	0.1
92.90675	0.1
93.32781	0.1
96.96844	6.9
97.03758	0.1
114.45126	0.1
150.97937	1.9
152.99492	100.0
153.99858	1.2
171.00558	3.8
235.70036	0.1
277.21802	0.7
388.08289	0.1
389.62628	0.1
397.25150	0.1
431.22018	34.9
432.22348	3.0
432.28256	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	908.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07613	0.5
78.95773	84.6
96.96838	8.6
97.96265	0.1
102.17410	0.1
122.00044	0.2
140.01096	1.8
150.97931	1.7
152.85957	0.2
152.99484	100.0
153.99835	1.3
171.00551	10.2
196.03738	2.6
214.04803	0.8
262.99240	0.1
264.85501	0.1
277.21759	0.5
279.23273	26.4
280.23615	2.4
402.24377	1.0
409.11588	0.1
431.21997	29.1
432.22409	2.8
476.27808	47.1
477.28137	5.4
595.28680	0.4
704.90173	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	913.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39754	4.4
78.95773	35.5
92.35573	0.6
96.96833	3.1
118.86426	0.5
119.51475	0.4
143.21529	0.5
147.18721	0.6
152.83798	0.5
152.99483	47.8
153.99741	0.7
158.10947	0.5
171.00557	11.4
227.03192	2.0
245.04274	53.4
246.04662	2.2
253.21692	26.0
254.22017	1.5
265.90347	0.5
268.47693	0.5
277.21722	0.5
431.22141	3.2
481.25696	100.0
482.26004	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	915.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00187	1.6
69.14070	6.0
71.01254	0.9
75.23212	0.5
83.01270	1.7
93.03335	1.2
101.02318	0.6
107.01273	6.9
121.02844	4.7
123.64998	0.6
124.01569	0.7
125.02319	0.8
125.16169	0.6
131.01282	0.6
132.01855	0.4
137.02251	0.7
148.01569	0.6
148.03978	0.8
149.02341	1.0
150.05537	0.7
151.00276	20.1
152.00635	0.5
160.01559	1.6
161.02332	1.4
165.01857	0.7
169.01302	0.9
175.00319	3.6
175.03917	1.7
178.99724	3.2
185.68597	0.4
191.05536	2.2
192.00723	0.5
193.01347	0.9
194.04515	0.9
194.94429	0.5
216.04202	0.6
226.02600	1.8
227.03210	1.1
243.02980	3.8
254.02199	1.8
255.02916	2.5
271.02478	16.2
272.02954	2.0
273.04007	0.8
299.01978	2.1
300.02737	29.8
301.03510	74.4
302.03848	4.7
303.83038	0.6
313.03546	1.0
343.04471	0.8
388.31403	0.6
427.65143	0.6
462.08017	2.1
463.08798	100.0
464.09079	9.0
494.36407	0.6
548.15558	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	917.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10385	0.4
69.44881	3.2
70.67989	0.3
71.01244	1.0
78.95775	11.0
85.60391	0.5
86.68367	0.4
87.00717	0.5
89.02318	0.5
96.96842	1.3
98.19790	0.6
101.02315	0.7
125.51381	0.4
152.99486	22.4
153.99773	0.5
171.00572	1.8
181.12234	0.5
199.13351	3.5
201.11293	0.6
209.11679	0.7
227.03160	3.8
245.04271	3.7
253.21620	1.1
254.22084	0.6
255.23257	93.4
256.23608	7.9
259.15482	1.4
277.21713	2.6
348.54758	0.4
379.12363	0.6
397.13461	2.2
427.38562	0.4
433.23630	2.1
481.25754	3.1
482.25903	3.7
483.27231	100.0
484.20499	0.6
484.27621	11.8
654.14301	0.5
758.42181	0.4
917.48584	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	925.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99680	2.2
69.03314	0.9
69.17897	1.3
69.18302	5.1
71.01252	31.7
71.91514	0.5
72.01595	0.6
72.99178	3.6
73.02822	8.4
75.00749	10.8
83.01263	4.0
85.02824	16.3
85.99968	1.5
86.22837	0.6
87.00225	0.9
87.00746	9.2
87.04381	2.3
89.02309	7.4
95.01272	4.0
97.02821	0.8
99.00757	10.4
100.52673	0.5
101.02323	12.4
102.02613	0.6
103.03868	2.9
110.47586	0.5
111.00769	0.8
112.01530	0.7
113.02322	12.1
115.03918	2.6
119.03361	2.1
131.03397	6.4
136.74321	0.6
139.00230	0.7
143.03397	7.2
145.04962	1.2
157.01349	1.0
161.04457	0.7
163.06075	2.8
205.07109	4.5
232.00749	0.6
439.35825	4.2
509.40051	2.8
510.40747	0.9
553.38458	1.1
599.39697	0.9
907.50201	2.1
925.51630	100.0
926.52008	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.6489
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41612	0.1
67.01759	0.2
69.03323	0.1
71.01252	0.1
71.04864	0.3
80.02546	0.1
81.03323	0.9
83.04404	0.2
83.04897	2.8
84.02036	0.3
85.02819	0.3
97.06458	0.2
111.07974	0.1
123.08065	0.1
125.07104	0.2
125.09618	1.8
127.11172	2.3
128.11548	0.1
155.14317	0.7
163.11208	0.2
164.69125	0.1
165.12755	0.7
167.14308	1.6
168.14685	0.1
171.10167	2.6
183.13843	1.3
193.12251	0.6
207.15001	0.2
209.11774	2.3
211.13329	7.0
212.13657	0.3
224.17589	0.5
225.16023	1.9
229.14400	100.0
230.14740	6.0
309.21820	0.1
333.22964	0.1
351.24142	0.1
367.27139	0.1
433.31683	0.2
450.34467	0.2
451.32886	1.2
452.33054	0.2
550.43262	0.1
659.48688	0.4
677.49658	34.1
678.49994	6.7
678.59369	0.1
864.42822	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	908.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09818	0.4
76.67439	0.1
78.95773	54.1
82.25083	0.1
89.89108	0.1
96.96837	6.8
140.01068	0.7
144.20998	0.1
150.97928	2.1
152.99486	100.0
153.99817	1.5
171.00554	4.2
171.02066	0.1
193.92404	0.1
196.03700	0.4
214.04774	1.0
221.57590	0.1
261.22287	0.2
277.21686	0.5
279.23273	38.9
280.23624	3.9
336.80460	0.1
431.21994	31.3
432.22369	3.6
432.98679	0.2
476.27814	18.5
477.28122	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	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02315	0.4
67.01761	0.5
69.03318	4.3
70.24459	0.9
70.24847	1.4
70.50312	0.5
71.01247	17.3
71.04881	1.6
72.99168	2.1
73.02811	1.7
75.00742	2.8
78.95763	1.7
80.96384	0.7
81.03341	0.9
83.01242	2.7
85.02818	4.0
87.00748	8.2
89.02313	9.7
95.01256	0.9
95.04893	0.6
97.02832	2.3
97.06444	0.5
99.00757	1.1
101.02309	9.8
109.02829	1.1
111.00853	0.7
113.02328	4.6
115.00259	10.2
115.03839	0.6
119.03379	2.3
125.02293	2.7
125.09593	2.2
127.03892	0.6
137.09563	0.6
143.03340	0.8
151.03885	0.6
151.11142	1.9
152.99460	1.2
153.12750	1.1
161.04439	1.5
161.09628	2.2
169.04971	0.6
171.10146	2.9
175.02394	17.1
176.02753	0.7
179.05508	1.3
179.10651	3.7
197.11757	56.6
198.12077	2.1
211.13168	0.6
221.06598	2.0
223.09746	1.6
235.08049	0.9
241.10732	4.0
277.21716	21.8
278.22043	1.7
285.13455	1.2
397.13556	3.3
415.14236	0.6
490.32217	0.6
639.24872	1.3
781.43781	3.2
839.44135	0.6
863.02399	0.6
899.46399	100.0
900.46777	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01828	0.8
69.03321	4.8
71.01252	18.7
71.04885	1.0
72.56127	0.9
72.99175	1.7
73.02819	2.8
75.00756	5.5
77.14012	0.9
81.03357	1.1
83.01257	2.5
85.02830	5.2
87.00751	8.4
89.02316	9.4
95.01265	1.7
97.02796	2.3
97.06439	1.4
99.00782	1.1
101.02312	9.1
107.28371	0.9
107.38241	0.9
111.04465	1.1
113.02326	3.7
115.00235	9.9
119.03430	0.8
125.02322	2.7
125.09565	1.0
127.03906	1.1
135.02945	0.8
151.11165	2.8
161.09618	3.5
169.12265	1.5
171.10217	4.6
175.02385	14.1
176.02800	0.9
179.05565	1.2
179.10742	5.2
180.11099	0.8
197.11754	36.9
198.12128	2.7
221.06657	0.9
241.10771	1.7
277.21713	37.6
278.21997	3.5
285.13403	2.0
292.26822	0.9
397.13583	2.9
516.85272	0.9
710.09955	1.0
781.43518	9.2
782.43878	1.1
821.42841	1.4
899.46411	100.0
900.46790	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	14.7
71.06013	2.1
72.99187	1.9
73.02824	2.0
78.95778	63.4
83.01249	2.5
85.02841	3.6
87.00745	5.1
89.02319	12.1
95.01239	1.9
96.96830	5.3
97.02850	1.2
101.02327	11.5
113.02332	8.2
119.03410	2.5
125.02323	7.1
125.09629	0.9
127.11160	1.6
133.79800	1.0
143.03401	2.3
150.97906	1.7
152.99496	77.2
161.04456	3.6
171.00540	4.7
171.10185	100.0
172.10562	5.0
179.05580	2.9
193.78844	1.0
209.11769	1.7
217.07047	1.2
221.06720	1.1
235.08220	6.2
245.04343	2.5
253.09283	1.2
253.21822	1.1
254.94386	1.5
277.21725	54.3
278.22092	5.9
287.07742	1.6
287.59482	1.0
305.08627	1.4
323.09882	1.7
345.46616	1.0
379.12497	14.6
397.13486	40.2
398.13812	3.2
415.14536	7.9
433.23538	17.7
434.23740	2.0
459.75525	1.0
481.25797	6.9
510.88736	1.0
535.18451	13.6
536.19104	2.4
551.23584	3.6
569.24414	4.6
662.47937	1.1
675.35699	2.1
870.09509	1.1
889.45911	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	895.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99691	1.6
69.03325	1.2
69.74981	3.0
71.01252	35.4
72.99162	2.5
73.02818	9.5
75.00745	14.5
80.16077	0.5
83.01254	4.4
83.49651	0.4
85.02821	24.8
85.99956	1.7
87.00744	8.9
87.04366	2.5
89.02320	3.4
95.01263	3.1
95.95990	0.5
97.02818	0.7
99.00754	14.2
101.02324	4.1
103.03880	1.5
111.00751	0.7
113.02326	10.7
115.03902	3.0
119.03349	0.7
131.03384	8.6
134.32677	0.5
143.03387	5.8
145.04964	1.0
157.01392	0.6
163.06010	1.6
177.66771	0.5
203.59814	0.4
205.07079	3.4
239.49776	0.5
248.66209	0.5
439.35715	3.4
441.37375	0.7
509.39774	1.2
877.50006	1.3
895.50543	100.0
896.50922	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	14.0
72.99184	1.4
73.04078	0.7
79.48101	0.6
83.04881	3.1
85.02811	1.9
87.00709	0.8
89.02320	10.0
93.06970	2.9
95.01270	0.8
98.20658	1.4
101.02331	7.7
113.02314	5.1
115.91322	0.6
117.03352	4.3
119.03417	3.5
119.04887	1.1
127.54827	0.6
133.02840	0.8
133.10103	2.7
135.80624	0.6
145.02853	26.7
145.06505	3.2
146.03250	1.0
148.03932	5.0
150.05522	8.0
157.10121	2.4
158.07306	1.2
158.35822	0.6
159.08087	3.4
160.03842	1.0
160.08847	39.9
161.02344	2.1
161.09175	2.4
173.09631	6.7
174.09929	0.6
175.03954	1.4
175.11192	69.1
176.11525	3.1
177.01862	0.9
190.16293	0.6
194.04507	9.8
202.04921	0.9
219.10205	54.5
220.10561	2.7
229.79930	0.7
238.75914	0.8
252.10368	0.8
296.09253	3.4
340.08243	12.8
341.08377	0.9
399.16580	100.0
400.16895	8.7
440.32730	0.7
502.13510	15.0
503.13870	2.5
518.15088	1.0
544.45093	0.7
588.82257	0.6
736.96497	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	889.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64490	0.8
69.03326	1.0
71.01255	18.7
71.24896	0.9
71.49932	0.8
72.99166	1.5
73.02848	2.1
78.95776	17.1
81.03334	1.1
83.01249	2.0
85.02838	3.6
87.00753	4.9
89.02313	11.9
95.01263	1.9
96.95895	1.2
96.96848	2.0
97.02833	3.8
101.02325	13.7
113.02325	7.6
116.92747	0.9
118.16933	0.9
119.03374	3.3
125.02321	5.5
127.11163	1.8
131.03416	1.1
133.04907	0.9
141.01717	0.8
143.03419	2.9
152.99487	23.9
161.04488	3.7
171.10185	100.0
172.10522	3.8
179.05568	3.8
197.65314	1.0
209.11810	1.6
217.07100	1.5
221.06564	1.6
235.08226	6.1
245.04259	1.5
253.09271	1.5
259.08420	1.3
277.21725	74.6
278.22052	5.6
278.24701	1.0
287.07648	3.2
305.08716	2.6
308.42673	0.9
312.83380	0.9
323.09744	1.5
379.12399	14.2
397.13513	44.3
398.13913	2.9
415.14505	8.0
433.23599	5.4
481.25705	4.0
535.18585	3.3
551.23645	2.7
569.24457	2.9
657.34344	1.7
675.36115	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	885.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	0.7
69.03323	1.2
71.01254	15.0
72.01576	0.4
72.99162	1.3
73.02819	2.4
77.54304	0.4
80.02547	1.0
81.03316	1.6
83.01259	1.6
83.04893	4.8
84.02068	0.7
85.02822	3.2
87.00753	3.1
89.02320	12.1
89.51986	0.3
95.01253	1.3
95.04890	1.0
95.64260	0.3
97.02830	2.1
99.00718	0.7
101.02324	9.1
105.82957	0.4
109.06473	0.4
111.04453	0.6
113.02332	5.7
119.03390	3.5
125.02335	5.2
125.05910	0.6
125.19756	0.3
131.03372	0.8
133.04926	0.4
133.59920	0.4
135.08084	0.9
141.01831	0.5
143.03395	2.6
161.04507	3.0
163.11212	3.6
165.12747	2.5
167.03513	0.4
169.14954	0.4
179.05545	3.1
181.12289	0.6
191.10689	1.0
199.06038	0.8
209.11768	100.0
210.12086	6.9
217.07074	0.6
221.06631	1.7
227.12827	12.5
228.13220	0.5
235.08200	5.0
251.12946	0.9
259.08191	0.6
272.70255	0.4
277.21716	41.9
278.22073	4.6
287.07672	1.9
305.08908	2.0
323.10098	0.9
379.12405	6.1
380.12421	0.5
397.13507	32.1
398.14139	2.0
415.14545	8.9
416.14798	0.7
416.55591	0.4
441.45892	0.4
589.25433	0.6
607.26245	1.1
755.46448	0.4
885.47388	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	886.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25099	0.8
67.17751	0.8
71.01252	1.3
71.20175	1.6
73.02811	0.9
109.02856	3.7
115.36542	0.8
117.03361	0.8
122.05959	0.9
132.02077	1.5
132.04475	1.1
133.02849	24.9
134.03291	0.8
135.04402	1.9
145.02876	1.7
146.02238	0.9
148.03941	18.4
149.02325	3.2
149.04486	0.8
150.05511	57.9
151.05861	2.5
158.06036	1.4
161.02354	100.0
162.02701	3.9
164.03436	0.8
164.04704	2.4
175.00293	2.6
175.03960	1.4
176.01033	2.2
176.03413	0.9
190.02657	9.3
191.03403	2.6
191.05443	0.7
194.04520	49.6
195.04900	1.8
202.05042	23.1
203.05484	1.1
205.04996	7.7
206.05377	1.0
220.02420	1.6
223.05984	3.9
246.04047	48.0
247.04413	2.4
263.39789	0.8
302.81168	0.8
306.98834	0.7
312.08844	2.5
356.07742	85.8
357.08069	7.2
370.08884	0.8
500.14169	1.3
518.15216	14.5
519.15271	1.0
529.15594	5.1
680.18744	5.7
724.20892	22.9
725.20386	4.2
733.99304	0.9
886.24103	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	886.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	0.6
62.96257	0.3
67.66686	0.3
69.03327	0.4
70.10865	1.3
71.01254	5.4
71.35443	0.3
71.97014	0.3
72.99176	0.6
73.02822	0.9
78.95777	57.1
81.03342	0.7
83.01279	0.5
83.04897	1.8
84.05251	0.5
85.02819	1.3
87.00754	1.1
89.02330	4.4
90.02663	0.4
95.01292	0.3
95.04888	0.3
96.96849	7.0
97.02849	0.5
98.20415	0.3
99.00746	0.5
101.02319	3.8
102.02677	0.4
108.34330	0.3
113.02343	1.9
119.03369	1.5
125.02335	1.8
127.03873	0.3
131.06364	0.3
140.01088	1.3
143.03412	1.0
150.97897	2.0
152.99490	100.0
153.99821	1.5
161.04469	1.1
163.11171	0.9
164.11470	0.4
165.12776	1.0
171.00568	4.0
179.05592	1.4
190.36940	0.3
191.10757	0.5
196.03735	2.8
209.11769	29.7
210.12112	11.6
214.04874	0.4
217.07089	0.5
221.06563	0.4
227.12825	3.4
228.13208	1.0
235.08212	1.6
236.08521	0.4
255.23265	27.0
256.23584	2.1
277.21722	11.6
278.22049	6.6
279.23172	0.8
285.20847	0.4
287.07706	0.4
305.08844	0.4
323.09729	0.4
379.12415	1.7
380.12860	0.8
389.37720	0.4
397.13446	9.4
398.13806	4.5
399.13867	0.5
415.14609	2.0
416.15002	1.3
433.23596	39.4
434.23923	3.6
452.27817	23.1
453.28088	2.2
515.39465	0.3
542.42682	0.3
591.33844	0.3
608.25665	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	870.246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41563	1.9
69.41986	2.1
71.01257	2.4
89.02300	1.8
92.04942	0.9
93.03354	2.1
101.02326	1.3
109.02854	1.6
113.02318	0.7
117.03348	27.0
118.03677	1.2
119.01257	1.0
119.04935	1.5
120.04452	0.6
121.02842	2.6
122.06000	1.5
123.04402	1.2
131.03709	1.1
132.04456	2.6
135.04393	0.7
136.03905	0.9
145.02853	95.3
146.03220	3.5
146.06006	0.6
147.00813	0.7
147.03134	1.7
147.04422	1.4
148.03946	32.3
149.02357	10.0
149.04762	6.0
150.05508	100.0
151.05878	4.3
158.06041	0.5
160.01610	0.7
160.03963	2.4
161.02295	0.9
163.03917	0.9
164.03458	0.6
164.04698	8.6
174.05540	1.9
175.00261	9.6
175.03883	1.1
176.01085	4.4
176.03435	1.3
190.02638	22.5
191.03410	6.1
192.06532	0.7
194.04512	81.0
195.04811	3.4
202.05067	4.7
205.04999	21.1
206.05368	0.7
208.03833	0.8
208.06137	1.5
220.02451	0.7
223.06056	9.8
252.10249	1.7
254.08141	0.5
268.09659	0.9
296.09262	15.7
297.09619	0.9
340.08243	23.9
341.08429	1.7
354.09763	2.2
370.09225	0.8
500.13943	2.9
501.15045	0.6
512.54816	0.6
515.13977	1.0
518.15131	29.7
519.15765	3.3
529.15607	12.1
530.15869	0.9
626.46869	0.7
646.17377	1.2
664.18762	22.3
665.19189	3.5
678.20612	1.0
694.19885	1.0
724.20923	36.7
725.20947	5.6
870.24426	5.5
871.24329	1.6
883.84149	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	869.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15159	11.4
69.15460	1.0
71.01250	13.6
73.02805	1.5
76.02100	0.8
80.04935	1.6
83.01258	1.3
85.02822	4.0
87.00740	1.2
88.70034	0.9
89.02320	11.7
94.02872	9.3
95.01244	1.0
98.19703	1.0
99.00746	1.1
100.74029	0.9
101.02326	8.6
106.06470	4.7
108.04448	2.3
113.02303	7.4
119.03416	2.9
120.04466	1.2
122.06027	3.2
124.03950	1.2
132.04401	1.4
134.06009	21.6
136.03954	1.8
138.05539	2.3
145.02904	2.2
147.05617	0.9
148.03915	1.9
148.07626	0.9
150.05525	4.7
152.07069	4.4
168.06529	1.1
172.11313	1.1
175.03917	1.9
186.05522	1.1
190.05081	1.4
194.04498	1.4
201.10294	2.7
213.10213	1.5
225.10371	2.5
227.11874	2.3
229.09779	4.7
237.10161	1.5
239.11865	2.6
249.10400	1.6
250.07446	1.3
251.08278	2.6
251.11812	1.3
252.09027	2.2
253.09856	3.0
255.11385	2.4
262.07370	1.2
263.08194	2.7
264.08871	1.5
265.09769	3.5
266.10556	1.0
267.11340	3.2
277.09732	6.1
278.07178	1.9
278.10513	4.8
279.07709	5.2
279.11182	6.0
283.75952	1.0
291.11255	1.4
292.08594	2.0
292.11911	1.4
293.09311	8.7
294.09940	2.7
295.10898	4.4
301.12012	3.4
305.09296	1.0
306.10031	1.8
307.10892	3.4
309.12466	2.7
314.12451	1.8
319.13025	14.3
321.08804	2.3
321.12381	1.3
337.08246	2.5
337.11957	1.4
339.09943	2.2
351.09729	2.3
372.13452	1.3
374.15030	2.3
392.16061	1.6
410.15079	1.8
416.16122	2.7
418.13629	1.0
425.17545	2.1
428.16837	1.1
432.15421	1.4
434.17142	1.5
446.17056	1.6
475.17627	1.4
486.16422	2.6
517.18054	1.4
570.84332	1.2
620.22400	2.0
621.23260	1.3
638.23615	5.4
648.21954	2.6
666.23096	15.5
667.23474	3.0
680.24866	3.3
701.28320	2.4
712.27570	9.2
713.27887	1.5
743.28900	1.9
745.27667	2.5
761.30688	5.0
762.30048	1.5
777.30225	4.7
787.28046	2.1
805.29419	62.1
806.29688	15.0
819.30579	2.6
837.32013	100.0
838.32233	24.9
869.34778	13.7
870.34595	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	870.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41148	0.6
71.01249	2.8
71.07771	1.2
82.87540	0.5
89.02344	2.0
92.04971	1.2
101.02335	1.7
109.02853	1.4
117.03348	2.0
119.03364	0.7
121.02835	1.3
122.05989	1.1
123.04411	0.7
125.02331	0.6
131.03557	1.0
132.02061	14.2
132.04442	2.5
133.02843	4.1
134.03627	22.0
135.04469	2.7
137.02324	1.6
145.02847	1.7
146.06059	0.8
147.03171	4.6
148.03943	36.4
149.04697	8.5
149.05975	2.9
150.05508	91.6
151.05887	2.7
160.01567	68.9
160.03886	2.1
161.02353	34.1
162.03027	1.7
162.05537	0.7
164.03496	1.0
173.66879	0.6
174.05533	1.7
175.03920	92.6
176.04445	2.9
177.01889	0.9
177.05414	0.6
178.02588	0.9
179.03447	0.8
180.44226	0.6
190.05028	1.5
192.03035	0.9
192.06644	0.7
193.03375	1.2
193.05014	17.6
194.04510	100.0
195.04903	2.9
201.04089	0.6
202.05022	2.4
208.06120	0.9
282.07852	0.7
282.11264	3.0
298.10760	1.1
311.07925	2.0
326.10309	21.0
327.10583	1.2
367.44974	0.6
370.09286	26.3
371.09589	2.9
384.10815	1.8
387.35986	0.6
485.12848	2.0
499.14505	9.6
500.14822	3.4
518.15131	21.4
519.15497	1.5
694.19830	48.5
695.08911	0.9
695.20026	9.5
870.24615	8.9
871.24554	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	869.308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99705	0.4
68.17493	0.4
69.44418	3.3
71.01247	1.2
72.99175	0.4
73.02817	0.7
77.36050	0.4
83.01252	0.7
85.02819	0.8
89.02358	0.4
96.95900	0.5
101.02312	1.1
107.01276	0.7
113.02339	1.0
115.00280	0.5
116.92793	0.4
119.04903	1.1
127.11182	4.3
127.81486	0.4
128.03453	0.5
134.03679	0.5
135.04379	0.5
139.11185	1.2
145.02780	0.4
148.04030	0.6
150.05511	0.9
151.00275	3.4
155.10690	1.7
157.12242	18.4
158.12471	0.9
160.01512	0.6
161.02452	0.5
161.04462	0.6
175.03880	1.1
184.39026	0.4
185.11752	13.5
186.12172	1.1
193.04811	0.4
203.12825	100.0
204.13168	5.6
245.13919	59.8
246.14244	3.6
258.09735	0.5
271.06110	2.4
272.06583	0.4
276.10724	0.5
349.14050	1.1
350.14432	1.7
351.14337	0.6
357.70593	0.5
490.15948	0.5
499.56079	0.4
579.17108	5.0
793.30316	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	869.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.5
67.01761	0.9
69.52922	2.9
71.01262	0.7
85.02803	0.5
89.02338	0.6
96.95894	1.3
97.02840	0.5
97.62807	0.4
98.20529	1.0
101.02330	0.9
103.34377	0.5
109.02832	2.3
121.02855	0.7
122.33701	0.4
123.00778	1.4
123.04360	0.8
135.04419	1.4
136.01556	2.4
137.02338	22.5
138.03014	0.5
139.03868	0.5
147.00717	0.6
148.05112	0.7
149.02335	1.0
149.05884	0.5
150.03139	1.1
151.00262	6.6
151.03928	3.6
152.00993	0.7
152.04666	0.8
153.05467	0.6
161.02388	0.7
162.03117	1.0
163.03889	1.0
164.00995	2.2
164.04721	1.0
165.01842	100.0
165.05511	1.8
166.02635	16.9
167.03201	1.5
175.03871	1.0
177.01849	1.0
177.05463	0.9
178.02663	0.6
179.03423	20.2
179.07004	2.0
180.04199	54.3
181.04979	35.9
182.05347	1.0
184.03711	0.5
187.03882	0.8
190.02654	0.8
191.03351	0.6
192.04237	1.0
193.04932	0.9
194.05818	3.5
194.64296	0.4
195.02921	2.5
195.06555	65.7
196.06873	2.8
204.33365	0.5
205.04994	1.3
207.06572	1.6
209.08128	6.4
209.11659	0.6
210.05298	11.1
210.08566	0.6
211.05969	1.3
213.01598	0.5
219.06683	0.4
220.07390	1.0
225.07631	50.9
226.07994	2.7
312.12485	1.1
313.12820	0.6
359.11435	0.8
373.12802	0.7
387.10727	1.8
387.14618	1.7
402.13495	1.1
403.14017	6.4
416.14648	1.2
417.15524	14.6
418.15884	1.3
433.15079	0.7
451.16113	2.0
565.18781	0.6
581.20044	0.8
594.20459	2.6
595.21808	17.7
596.22284	2.4
625.22607	1.0
643.24133	3.3
644.24335	0.9
773.27789	3.9
774.29529	0.8
821.30585	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	863.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96267	0.2
69.23893	0.1
70.80252	0.3
78.95773	51.8
96.96838	6.7
106.13713	0.1
112.63020	0.1
143.66808	0.1
150.97910	2.0
152.99486	100.0
153.99823	1.6
158.92363	0.2
171.00549	3.9
214.03027	0.1
277.21747	0.5
431.21991	30.4
432.22357	4.0
511.18814	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	867.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96273	0.2
63.97303	0.1
70.52227	0.1
70.98599	0.3
78.95776	55.9
83.02340	0.2
96.96845	6.9
120.11578	0.1
150.97932	1.8
152.99489	100.0
153.99835	1.4
171.00555	4.0
195.53197	0.1
209.11700	0.3
217.43242	0.1
277.21927	0.2
279.23358	0.5
283.69012	0.1
288.62537	0.1
351.20023	0.2
433.23578	37.6
434.23911	3.9
513.20355	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	857.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	5.2
71.01258	13.4
83.01253	1.8
85.02827	7.1
89.02321	3.5
93.03335	4.3
95.01259	1.9
96.21088	1.5
96.95895	5.0
98.19757	2.9
101.02324	5.7
109.02850	2.4
112.01575	1.8
113.02319	5.8
115.00235	2.0
116.11663	1.7
119.03349	2.1
119.04830	1.4
121.02847	5.5
122.03611	12.3
123.00760	2.6
125.02287	2.6
126.85982	1.4
133.02876	2.1
134.03561	1.5
135.04422	2.0
136.01578	2.9
137.02330	22.7
142.59180	1.5
145.02861	1.8
147.04442	1.9
149.02339	20.0
149.06001	1.8
150.03130	78.7
151.00290	7.7
151.03604	4.7
152.01033	1.5
153.01863	2.1
161.02324	4.3
163.03961	2.1
164.01009	2.9
164.04655	3.6
165.01843	100.0
165.05481	65.2
166.02626	22.5
166.05811	2.3
168.04205	24.0
169.04614	1.8
174.03133	1.7
175.03940	13.5
176.04539	2.6
179.03426	19.4
179.06963	2.1
180.04196	58.9
181.04979	51.6
182.05264	2.3
189.05540	2.0
190.06296	8.3
191.07001	2.7
192.04179	1.8
193.04968	5.4
194.05724	4.7
195.02902	2.8
195.06564	88.7
196.06827	4.2
205.08640	10.2
207.06541	4.7
208.07339	3.2
209.08090	4.2
210.05237	9.7
223.09659	5.3
225.07637	41.8
226.07986	2.4
297.03897	2.0
323.07990	1.6
327.08597	4.3
329.10208	2.2
337.09525	1.7
342.11044	4.6
342.51132	1.4
355.11987	1.7
357.13470	8.1
359.11578	1.6
361.29642	2.9
375.14322	1.8
403.13882	1.6
405.15601	11.0
417.15475	2.2
435.16605	3.5
505.33844	3.3
527.28033	1.6
553.20612	9.4
583.21906	14.5
584.21802	2.2
601.23059	2.9
613.22620	1.8
631.24268	7.6
649.38214	15.4
661.24988	7.4
667.38965	15.4
685.40411	3.6
709.40009	6.5
727.41235	7.5
736.65723	1.7
761.28137	10.3
762.28308	2.7
809.30225	13.8
810.30560	3.0
857.32587	17.9
858.32971	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	858.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55707	1.8
61.76422	1.8
61.98696	4.6
71.01241	2.4
71.49915	1.9
72.89930	2.0
78.25519	1.5
78.95782	2.2
89.02354	2.1
96.65925	1.5
101.02322	3.1
106.05643	1.6
113.02349	2.1
121.02816	2.6
135.04419	4.8
137.02235	2.2
137.06024	2.1
137.07320	1.5
138.05475	5.4
147.04414	7.6
151.06230	2.8
159.04399	8.3
160.03955	3.2
161.05995	2.9
172.05272	1.9
174.05499	7.3
175.03951	3.9
175.06303	75.1
176.06731	2.3
183.06517	2.4
189.05473	8.6
201.05586	2.1
203.07037	8.8
211.13333	11.8
219.08957	33.8
220.08998	2.0
277.21725	20.4
278.22018	1.8
289.52420	1.6
300.16055	63.8
300.19482	3.4
301.16403	6.4
316.19214	1.6
318.17072	12.1
319.17178	1.9
320.31635	1.9
326.17548	4.8
327.15970	2.3
344.18665	100.0
345.18967	7.4
362.19714	21.4
397.13217	2.7
497.75348	2.1
554.25830	2.0
580.27429	3.8
598.28699	29.6
599.29156	3.8
785.01807	2.2
814.46918	9.3
858.50055	92.4
859.50305	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	861.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57077	1.4
61.98696	5.8
68.99699	1.7
69.03310	3.6
69.53848	8.7
69.54255	3.8
71.01252	57.6
72.99174	6.7
73.02814	21.4
78.95771	5.8
83.01256	12.5
85.02820	26.3
85.99966	2.2
87.00743	12.8
87.04375	2.2
88.98684	1.7
89.02318	20.4
95.01249	4.0
96.96827	2.4
97.02824	6.9
99.00758	5.4
101.02318	36.2
103.03896	6.3
112.30067	1.8
113.02320	17.5
115.03896	4.3
119.03387	6.9
124.01530	5.9
125.02334	11.6
131.03391	6.3
142.02670	1.6
143.03374	10.0
148.63896	1.5
159.02917	1.6
161.04454	3.4
163.06015	5.2
205.07091	5.2
342.93866	1.5
462.03970	1.8
467.30194	3.1
598.21454	1.5
598.32648	1.8
611.34509	5.5
613.35760	5.3
629.35321	5.1
721.38177	2.2
757.40070	100.0
758.40186	23.9
775.41266	66.9
776.41479	15.5
817.41827	11.0
818.42535	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	856.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31681	0.9
65.74172	0.9
71.01250	3.1
89.02287	1.7
97.94621	1.0
101.02286	2.0
109.02840	2.7
111.73927	0.9
116.47727	0.8
117.03342	2.1
123.04364	1.2
131.03455	0.9
132.02046	3.1
132.04436	1.8
133.02847	34.5
134.03595	2.0
135.04410	12.9
145.02835	1.5
147.03156	1.8
148.03935	21.6
148.05046	1.7
149.04782	5.0
150.05507	69.4
151.05836	2.6
160.01553	14.1
160.03845	1.2
161.02342	100.0
162.02731	4.8
162.05435	1.2
163.02687	1.3
174.05507	1.7
175.03914	17.8
179.03386	5.2
194.04506	63.0
195.04893	1.5
202.05080	4.4
206.70450	1.2
246.03967	6.0
282.11063	1.0
311.07843	1.1
326.10297	10.6
356.07559	9.2
357.08334	1.5
358.52420	0.9
370.09390	5.9
401.18243	1.2
485.12994	12.5
486.13007	1.8
499.14966	1.2
518.15149	22.8
519.15320	2.2
664.18542	1.2
680.18237	40.5
681.18518	6.2
694.19800	28.4
695.20654	4.5
856.22992	16.6
857.22815	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	856.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
60.65301	1.2
71.01253	6.0
73.02821	2.0
89.02309	2.6
97.02821	1.3
101.02302	6.2
103.77366	0.9
109.02830	1.3
113.02312	3.4
119.03352	1.5
120.04456	1.0
122.05979	1.9
123.04377	2.2
125.02325	1.2
131.03452	1.6
132.02065	3.8
132.04433	2.1
133.02858	5.6
134.03676	1.3
135.04364	2.0
139.03963	1.3
145.02843	1.4
146.02293	1.3
146.06015	1.3
147.03207	4.8
148.03941	55.1
149.04733	9.5
150.05507	100.0
151.05847	3.6
160.01567	25.4
160.03873	2.0
161.02357	29.8
161.04465	2.9
162.02898	1.8
162.05290	1.0
164.03423	2.2
174.05501	3.9
175.03920	37.5
176.04306	1.1
178.24559	1.1
192.06763	1.1
193.05190	1.2
194.04518	82.1
195.04837	3.9
202.05013	2.8
220.02455	1.1
221.06618	2.5
246.77315	0.9
282.11304	1.6
311.08002	2.8
326.10291	16.6
356.07538	1.2
369.86597	1.0
370.09183	8.8
393.17508	1.1
635.20508	1.2
680.20416	62.2
681.20331	6.7
694.19147	1.8
856.25079	44.7
857.25458	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	856.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43048	0.4
69.61871	1.2
69.62296	1.4
71.01256	1.8
85.02832	0.5
91.83781	0.4
92.04926	0.7
101.02281	1.0
101.46255	0.4
104.04951	0.5
109.02844	3.3
113.02399	0.4
117.03343	0.9
120.04472	0.8
121.02811	0.7
122.05977	0.8
123.04397	1.1
131.03621	0.6
132.02080	3.9
132.04440	1.7
133.02850	31.0
134.03659	6.5
135.04462	3.0
136.03937	0.5
136.04897	0.4
137.02313	0.4
145.02861	1.4
146.02318	0.4
147.03127	1.1
148.03946	19.3
149.04640	1.5
149.05917	0.7
150.05507	56.7
151.05859	2.1
158.06007	1.2
159.52982	0.4
160.01564	12.5
160.03865	0.9
161.02347	100.0
162.02693	4.4
163.02669	0.5
164.03436	0.7
174.05498	1.1
175.02615	0.5
175.03920	11.9
176.03326	0.7
176.98265	0.4
179.03375	1.1
183.18185	0.4
184.03990	0.7
193.04997	5.6
194.04507	51.4
195.04884	1.3
202.05029	24.6
203.05322	1.1
220.02452	1.0
225.62817	0.4
246.04044	35.8
247.04387	1.7
279.25317	0.4
312.08768	2.4
326.10300	1.4
356.07736	63.3
357.08087	5.9
370.09213	0.9
379.10782	0.4
426.27979	0.4
444.29855	0.5
460.79910	0.4
466.03961	0.4
485.12808	1.5
499.14288	3.2
500.14511	1.0
501.39545	0.5
504.04675	0.4
518.15125	10.9
519.15308	1.0
680.18372	6.8
681.18121	0.7
694.19824	22.4
695.20258	4.0
856.22797	3.6
857.22552	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	847.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01586	1.2
69.03337	0.7
69.13931	2.0
69.14353	2.4
71.01256	29.3
72.99187	2.5
72.99535	0.4
73.02816	9.0
73.03197	0.6
78.95802	0.6
83.01247	4.0
85.02823	5.1
87.00754	2.3
89.02318	29.6
95.01286	1.7
99.04403	1.7
101.02325	21.4
102.02629	0.6
112.04922	0.4
112.51206	0.3
113.02331	15.7
114.02724	0.6
117.03266	0.4
119.03391	13.9
125.02332	0.6
125.99036	0.4
131.03398	3.0
141.75717	0.4
143.03409	5.2
143.04446	0.6
145.02838	0.5
149.04462	5.0
149.95494	0.4
150.05560	0.7
155.03441	0.4
161.02483	0.5
161.04462	9.1
161.13303	1.8
175.03960	0.8
177.05652	0.4
179.05531	17.2
180.87418	0.4
187.11212	0.6
205.12285	1.5
221.06636	2.4
249.11298	24.8
250.11734	1.6
313.16751	0.8
331.17682	2.4
373.18616	8.7
374.19092	0.8
429.17651	17.1
430.18039	1.8
477.10779	0.5
501.63370	0.4
621.11768	0.5
723.14447	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	853.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01235	0.9
71.48904	0.6
81.54294	0.4
83.04887	1.0
89.02303	0.4
90.96842	0.4
91.86501	0.4
94.02843	1.3
101.02322	0.5
106.25746	0.4
108.04446	2.1
113.02305	0.6
120.04451	1.0
122.06004	8.0
124.03932	1.5
133.03990	0.5
134.06003	1.8
135.06731	0.5
136.02992	0.6
136.03938	3.3
136.07568	7.7
137.04742	0.6
137.15347	0.4
138.05501	1.3
147.03151	0.4
148.03928	1.7
150.05510	7.9
152.07053	1.7
159.11665	0.5
160.01552	0.7
161.04541	0.4
162.05446	0.4
163.08589	0.6
174.09109	0.7
175.03839	0.9
176.03513	0.9
186.09100	2.3
187.11183	0.5
188.10722	0.4
190.05028	1.7
191.05431	0.5
192.99573	1.8
200.05699	0.5
201.06470	2.0
202.07312	1.2
202.08881	0.9
202.12262	1.9
211.67621	0.4
212.07191	0.5
212.10759	1.5
214.07257	0.6
215.08118	2.4
217.09734	0.4
228.10344	2.1
229.09773	11.6
229.11929	0.8
230.11957	6.8
231.11363	0.9
240.08949	0.8
243.07693	0.5
243.11537	0.4
244.08569	0.5
245.09225	4.1
245.12958	1.0
255.11423	2.5
257.09338	5.3
258.10074	1.5
259.10907	0.4
273.12433	16.3
274.12991	0.8
275.10416	1.9
291.13516	0.6
299.10266	0.7
317.11389	15.5
318.11594	0.7
334.11673	1.4
335.12460	100.0
336.12903	6.2
337.12000	0.7
378.02777	0.4
387.16379	0.4
517.18323	9.5
518.18488	0.7
717.27435	0.5
749.30096	1.1
761.27185	0.6
793.29730	0.6
821.28760	0.6
853.31085	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	845.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	17.6
59.44287	1.9
61.30489	2.2
61.98711	1.8
63.25587	1.8
69.24513	5.9
69.24937	14.9
71.01260	16.1
73.02813	3.6
77.20251	1.7
83.01263	2.1
85.02848	4.2
87.00774	2.7
89.02327	10.9
89.29918	2.0
96.95858	2.3
97.06462	13.4
101.02294	9.6
113.02329	5.6
119.03375	3.6
123.08049	6.4
125.02265	2.5
125.09608	62.1
126.09950	3.0
141.56053	1.9
186.15857	2.2
187.09680	33.6
188.10016	2.4
277.21707	31.4
278.21887	5.4
290.26474	1.9
397.13513	5.4
418.48376	2.5
533.01282	2.2
565.48022	2.3
595.75873	2.2
845.45392	100.0
846.45593	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.98689	2.4
69.03321	2.0
69.23098	9.2
71.01251	59.0
71.61587	0.8
72.01577	1.1
72.99171	2.0
73.02816	62.7
74.03156	1.4
75.00700	1.7
75.45789	0.9
76.15132	0.9
78.95765	2.3
83.01260	20.0
85.02813	7.3
87.00739	4.3
89.02311	7.4
95.01222	1.9
96.95885	3.3
97.02818	1.7
99.00769	1.3
99.04421	0.9
101.02318	60.3
109.02817	2.0
113.02318	20.5
116.99051	0.9
119.03384	6.3
121.02834	2.7
123.00775	1.2
123.04383	1.2
125.02316	3.3
131.03398	5.2
137.02342	5.2
143.03435	6.7
149.02344	11.0
149.04434	7.0
151.00267	15.3
151.03883	3.4
152.00920	0.9
153.01845	1.7
153.05453	1.6
155.03389	2.8
160.01553	1.4
161.02298	2.5
161.04445	12.0
165.01891	2.4
166.02625	37.8
167.03212	1.7
175.03928	10.9
176.01082	3.3
176.04659	1.4
177.01852	45.1
178.02321	1.6
179.03456	1.3
180.04280	0.9
181.04974	34.0
182.05312	2.0
187.03976	0.9
188.41292	0.9
190.02592	1.3
190.06419	1.5
191.03517	4.2
191.05382	1.2
191.07133	1.5
192.04214	29.3
193.04755	2.8
193.08675	1.1
195.06567	1.1
203.05515	2.1
207.04700	1.8
207.06575	30.5
208.06790	1.8
221.04518	1.1
221.06406	1.9
225.07593	1.9
235.89703	0.8
241.00896	1.3
249.07561	2.0
255.23293	1.4
267.89392	0.9
322.84958	1.0
350.04642	1.1
359.11148	0.9
369.11877	2.5
387.09970	4.9
402.13187	2.6
416.14917	4.6
417.15564	20.6
418.15884	2.3
429.13989	1.2
431.16785	1.6
470.67114	1.2
512.27228	0.9
607.21820	30.5
608.22272	6.2
685.26715	1.2
847.49280	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	843.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63486	5.1
69.63914	5.8
71.01244	4.7
75.07623	1.6
92.04944	4.8
98.20518	3.5
115.07355	1.8
120.04433	2.5
120.71948	1.5
125.02336	2.7
131.03574	1.6
132.02069	5.8
132.04419	3.0
134.03604	9.5
136.29688	1.6
147.03149	5.4
148.03946	100.0
149.04654	12.4
149.05928	2.8
150.05513	67.4
151.05788	1.7
160.01575	17.7
160.03859	2.4
161.02307	5.0
162.05473	3.0
164.03452	2.6
174.05487	3.3
175.03925	24.0
191.07048	3.2
192.06467	2.0
193.05020	11.1
194.04512	37.2
211.06102	1.8
214.22032	1.7
235.06059	9.2
253.09831	7.2
255.11412	11.6
265.07266	2.6
295.08179	2.6
299.10410	8.4
397.11523	7.3
434.55170	2.0
439.12701	2.1
499.14532	16.2
518.15100	15.1
623.20807	13.9
667.20087	3.3
694.19830	52.7
694.31799	3.2
695.20050	7.5
755.26141	6.4
787.72144	2.2
799.25690	20.5
800.26025	2.8
843.24536	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	14.0
61.94770	0.5
67.01750	0.6
69.03323	1.4
69.62907	3.6
71.01251	13.5
71.01620	1.0
73.02831	1.9
81.03350	0.5
83.01258	4.8
85.02819	12.7
85.99979	1.1
87.00755	0.5
90.75555	0.5
95.01263	1.5
96.95907	1.0
97.02834	1.5
99.00666	5.5
100.01122	0.6
101.02329	2.2
104.75735	0.6
106.69507	0.5
112.01509	0.9
113.02328	23.7
114.02676	0.8
123.00502	0.9
123.44133	0.5
124.55822	0.5
125.02213	4.7
139.03714	0.5
141.01608	5.2
142.99495	0.9
143.03406	2.3
148.05197	100.0
148.40544	0.5
149.05508	4.4
153.01585	7.1
155.03383	3.9
163.07549	97.4
164.07896	5.2
165.01630	1.6
166.99515	1.0
167.03168	1.4
173.93219	0.5
177.01602	1.3
183.02701	1.6
195.02693	4.1
203.06833	1.0
207.02740	0.8
225.03755	43.5
226.04086	1.9
232.47591	0.6
243.04863	7.0
245.07906	30.8
246.08347	2.3
247.05934	1.0
257.07916	14.7
258.08359	1.4
259.09497	3.6
269.02774	12.8
270.03073	0.6
285.63458	0.5
287.09024	2.1
299.08853	0.7
341.09998	2.6
347.11053	3.1
349.14230	1.3
389.12012	3.8
391.10080	1.5
407.13287	1.1
409.11041	0.7
426.19080	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	841.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01580	1.6
61.98699	2.7
67.12997	0.6
69.03320	2.2
71.01252	37.1
71.07074	1.3
72.01620	0.8
72.99178	2.3
73.02825	8.5
75.00744	1.1
81.03342	1.6
83.01258	5.3
85.02821	19.1
85.99985	1.0
87.00763	4.5
89.02308	8.7
89.02830	0.6
94.72924	0.7
95.01266	5.7
96.95918	1.7
97.02832	4.6
99.00760	4.7
101.02321	18.8
111.00799	2.5
112.01566	1.8
113.02330	23.7
114.02654	0.7
119.03410	2.2
124.01566	3.9
125.02335	11.2
143.03389	5.1
150.03134	1.1
159.02962	1.0
161.04456	2.9
165.01912	0.7
171.13805	1.2
175.03926	0.9
251.02278	0.7
290.37125	0.7
299.25946	3.0
345.30063	6.1
346.30338	1.1
489.34183	9.3
489.40402	0.8
490.34869	1.9
507.35358	5.7
558.59180	0.7
564.34595	0.6
585.36786	1.4
597.37091	2.0
615.37817	2.8
633.38513	46.0
634.38647	6.8
643.05548	0.8
651.39545	67.2
652.39948	8.2
669.40570	14.9
670.41516	2.2
693.40607	25.9
694.41217	3.4
711.41681	27.9
712.42230	6.0
753.42450	4.3
754.43335	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	839.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01580	1.4
69.03335	2.7
69.52291	5.5
71.01250	43.4
72.99191	1.3
73.02815	50.5
73.74049	0.6
74.03131	0.8
83.01254	14.6
85.02824	7.8
87.00768	2.4
89.02320	9.8
89.02843	0.9
95.01241	1.6
97.02826	1.6
98.20558	0.8
99.00797	1.0
101.02320	44.9
107.63781	0.7
113.02327	19.1
113.03079	1.3
119.03397	6.2
125.02338	2.6
131.03395	3.2
140.65910	0.8
141.88998	0.7
143.03389	4.6
149.04439	7.4
155.03363	1.1
161.04454	14.7
161.05675	1.1
196.36082	0.7
203.05579	1.7
215.20811	0.6
221.06635	2.6
252.30569	0.8
395.28723	0.7
487.32858	1.4
631.37091	7.0
632.37463	1.6
649.37964	10.5
650.38623	2.1
658.07574	0.8
667.39313	2.6
668.39453	1.0
691.38800	3.7
709.40173	7.1
710.40930	1.3
751.41443	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	840.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.5
61.98711	1.4
70.77890	0.9
70.78223	1.2
71.01252	3.5
71.25410	0.5
77.85368	0.5
89.02294	1.6
92.04935	1.4
93.03339	1.6
101.02332	1.8
109.02842	1.7
113.02331	1.4
117.03345	23.1
118.03679	1.5
119.04929	2.7
120.04435	0.9
121.02829	1.3
122.05997	1.4
123.04392	1.2
125.02437	0.6
131.03648	1.1
132.02060	6.0
132.04411	2.1
133.02831	2.7
134.03633	17.1
135.04388	1.0
136.03934	0.6
139.03908	0.7
144.04373	0.8
145.02849	95.6
146.03267	3.4
146.05994	0.6
147.03127	2.0
147.04332	1.0
148.03941	36.3
149.04677	7.3
149.05984	1.7
150.05502	100.0
151.05814	3.4
158.33997	0.6
160.01564	32.6
160.03876	2.3
161.02354	8.3
163.03902	0.8
164.03424	2.4
174.05547	1.4
175.03914	31.8
176.04414	1.0
178.02634	0.8
190.05038	1.1
193.03346	1.1
193.04985	15.0
194.04503	92.1
195.04863	3.9
202.05095	3.9
204.06432	0.6
208.06018	0.9
252.10181	1.9
296.05844	0.7
296.09262	14.3
297.09665	1.4
326.10141	1.3
340.08206	30.9
341.08673	2.9
354.09702	1.5
397.11142	0.7
428.98758	0.6
485.12845	1.4
499.14523	13.9
500.14255	4.3
518.15088	31.3
519.15039	2.7
646.17371	1.2
664.18750	22.8
665.19037	3.9
694.19843	49.2
695.19995	9.8
840.23651	9.8
841.23877	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	840.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.5
71.01241	4.0
71.49136	1.0
76.59378	0.8
89.02303	1.5
92.04942	1.3
93.03345	1.6
96.95912	0.9
101.02322	1.9
103.61777	0.8
109.02830	1.5
113.02316	1.8
117.03346	22.7
118.03664	1.2
119.04893	1.7
120.04475	1.6
121.02826	2.0
122.05971	1.4
123.04422	0.8
125.02335	1.4
131.03616	1.7
131.30946	0.7
132.02049	6.9
132.04427	2.7
133.02852	2.5
134.03630	17.6
135.04408	1.3
137.02344	1.4
145.02850	100.0
146.03226	4.1
147.03154	2.7
147.04343	1.4
148.03943	35.2
149.02324	1.1
149.04681	6.2
149.05890	1.5
150.05505	90.7
150.45107	0.7
151.05838	2.5
160.01567	26.2
160.03822	2.1
161.02351	7.7
161.04483	1.1
162.02660	0.9
162.05486	1.2
164.03438	2.5
164.04636	0.8
174.05522	1.7
175.00284	1.3
175.03917	28.6
176.03409	1.0
179.03383	1.0
185.67876	0.7
190.02646	2.1
193.03342	1.4
193.04990	14.6
194.04504	91.6
195.04858	3.8
202.05025	4.0
205.05013	3.2
208.05975	1.2
220.02446	1.0
221.06667	0.8
223.06107	1.8
235.05933	0.9
252.10254	2.7
254.08127	0.8
296.09241	15.5
297.09842	0.8
340.08206	29.2
341.08569	3.1
354.09897	1.6
355.09988	0.8
357.83630	0.8
474.55365	0.8
485.13617	2.4
499.14603	14.1
500.14438	5.7
518.15137	32.0
519.15350	3.5
616.19250	1.0
646.17731	1.4
664.18799	20.9
665.19141	4.2
694.19849	52.8
695.20001	9.6
840.23352	9.3
841.24530	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	840.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.4
62.57406	0.8
66.57404	0.7
70.52095	2.3
71.01237	2.6
89.03717	0.8
92.04935	0.8
93.03335	1.7
98.20443	0.8
101.02319	1.0
109.02843	1.5
110.35723	0.8
113.02390	0.8
117.03341	24.1
118.03656	0.8
119.04894	1.5
121.02841	1.0
122.05983	1.3
123.04399	1.1
125.02335	1.0
126.01314	0.7
131.03665	1.3
132.02072	5.4
132.04399	2.0
133.02838	1.9
134.03624	17.7
135.04425	0.9
139.62849	0.8
145.02852	94.5
146.03168	4.0
147.03143	2.2
147.04245	0.7
148.03944	34.4
149.04683	6.0
149.05884	1.7
150.05505	100.0
151.05836	3.3
160.01563	27.3
160.03851	1.5
161.02391	6.0
164.03406	1.0
174.05533	1.3
175.03912	26.6
179.03438	0.8
190.04866	1.1
192.02943	0.9
193.03391	1.0
193.04984	13.7
194.04506	75.9
195.04793	2.8
202.05066	4.3
205.71112	0.7
208.05972	1.2
229.62294	0.8
244.49759	0.9
252.06459	1.1
252.10234	2.3
263.90240	0.9
296.09265	19.4
297.09637	0.9
303.81784	0.9
340.08224	36.6
341.08725	4.1
354.09860	2.2
485.12982	2.6
499.07629	1.6
499.14551	20.8
500.14374	6.1
518.15143	42.2
519.15387	5.0
528.75769	0.8
646.17810	2.1
664.18860	29.9
665.18616	4.9
678.20618	1.4
694.19824	69.0
695.20203	13.6
840.23773	13.4
841.23767	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	837.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.2
61.98709	1.8
63.05338	1.2
63.96099	1.8
69.03339	1.4
69.97424	2.8
69.97833	4.1
71.01250	9.7
73.02818	2.7
78.95776	4.0
78.98460	10.6
79.95606	14.7
80.96391	100.0
82.70560	1.3
85.02824	4.6
87.00758	3.3
94.97955	23.5
101.02328	4.1
106.97981	5.9
110.23093	1.2
122.97456	6.0
125.02303	6.6
134.97478	8.5
136.99084	3.2
139.74452	1.2
141.01543	1.2
143.08209	1.2
143.63387	1.3
148.99039	11.0
151.77052	1.4
152.98520	8.8
164.98553	21.7
166.59251	1.4
206.99643	5.0
209.85809	1.3
217.00446	1.7
224.98683	2.4
225.00702	26.1
277.21780	6.0
278.21823	1.4
279.23315	1.8
300.85941	1.4
385.32401	1.4
559.25897	4.1
640.36676	1.5
675.89636	1.6
837.48688	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	839.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	30.1
61.98700	0.8
69.03328	0.5
71.01253	21.4
71.49828	1.0
72.99165	2.4
73.02807	2.2
80.04931	1.3
82.02858	1.8
83.01254	1.7
85.02827	6.1
87.00734	2.3
89.02320	14.0
94.02866	25.0
94.06520	0.9
95.01257	1.7
96.04423	1.5
96.27292	0.6
96.95826	0.6
98.93079	0.7
99.00755	1.0
101.02325	11.8
104.04929	0.9
105.05708	1.2
106.06512	7.3
107.03645	0.8
108.04441	2.5
110.05995	1.2
113.02326	7.8
114.20370	0.6
119.03396	5.7
120.08088	18.5
121.08427	0.7
122.05998	6.5
131.03415	0.7
132.04428	3.1
132.24884	0.6
134.06015	36.2
135.06354	1.1
136.03879	1.4
136.07593	0.7
137.04659	0.9
138.05515	7.5
145.02853	0.8
148.03903	2.1
149.04559	0.7
150.05534	3.7
152.07077	8.9
158.02361	1.5
160.03903	1.7
160.07489	0.5
161.04440	0.7
164.07130	1.0
174.05493	0.7
174.09181	1.0
175.03920	1.0
176.03539	0.6
190.05045	6.1
192.06581	0.9
194.04510	0.7
194.24445	0.6
201.10405	0.6
211.08630	0.8
211.12361	1.0
213.10274	1.3
215.11732	1.5
221.10855	1.1
223.08728	5.2
223.12294	0.9
224.09418	2.3
225.10292	1.7
227.11845	1.0
235.08684	1.8
236.09494	1.6
237.10255	6.7
238.11060	2.9
239.11835	6.8
242.95837	0.6
248.09634	0.8
249.06633	3.1
249.10248	3.7
250.07344	1.2
251.08180	5.0
251.11829	9.2
252.12563	1.3
253.13374	1.5
261.10159	1.1
262.07541	0.9
263.08249	6.5
263.11905	1.9
264.09024	13.8
264.12201	1.1
265.09753	8.8
265.13019	1.2
266.10260	0.8
267.11154	0.8
271.10986	2.0
276.09073	3.7
277.09808	7.9
278.10486	4.2
279.11383	29.2
280.12012	5.5
281.12982	3.3
283.10541	0.7
291.11432	8.9
292.09091	1.0
292.12222	5.9
293.09717	0.8
293.12875	3.3
294.13687	1.7
295.10660	0.8
305.09433	3.3
305.12668	0.9
306.09970	0.9
307.10809	1.7
311.14212	0.7
314.12515	3.1
317.09406	0.9
323.10440	3.1
324.11066	3.6
325.11942	1.8
326.12637	1.8
336.11002	1.2
337.12018	3.2
338.12473	1.0
354.12662	0.8
358.19376	1.0
369.14694	1.2
370.15326	2.8
371.15616	0.8
372.17102	1.2
376.16632	0.8
384.17459	3.3
384.67664	0.8
385.17615	1.2
386.18658	2.3
388.16675	1.5
396.13278	0.9
398.14639	1.2
398.19131	1.0
399.19458	1.4
400.20633	0.8
401.20950	1.3
412.16974	1.0
418.21487	1.2
425.17001	0.8
426.18204	2.4
427.18848	1.7
428.19730	0.7
430.17532	2.0
431.18356	0.8
432.87329	0.7
442.17877	0.8
443.18771	1.3
444.19534	3.0
445.20126	1.3
453.16742	1.2
454.17737	0.9
460.18311	1.1
462.20691	3.7
471.18048	3.0
472.18887	4.5
473.19397	2.8
476.94553	0.7
488.18015	1.4
489.19360	1.0
490.19894	6.3
491.20123	1.6
517.18121	1.1
532.20630	1.1
550.22571	0.9
551.22998	0.7
564.23633	1.0
566.23395	0.7
604.23193	0.8
605.24188	0.9
606.24640	3.3
610.24133	1.4
623.24707	1.8
633.23486	1.1
634.23737	1.0
650.23633	9.1
651.23993	6.1
652.24792	1.0
682.26129	15.8
683.26703	3.6
701.28595	0.9
703.29938	1.3
747.28894	23.3
748.29468	4.9
761.29663	0.9
779.31470	37.0
780.32080	8.4
789.29871	20.8
790.30231	3.9
807.30902	100.0
808.31244	23.2
821.32642	15.6
822.32837	3.4
839.33508	42.7
840.33771	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	837.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	2.4
59.01249	100.0
61.98716	0.7
66.59760	0.6
69.03339	1.0
69.16459	0.6
71.01253	50.1
72.99180	2.9
73.02815	18.9
83.01257	6.3
85.02825	18.7
85.03352	0.6
86.03180	0.7
87.00751	3.7
89.02316	21.4
95.01257	6.4
96.95943	0.8
97.02822	1.1
99.00760	2.8
101.02325	23.9
111.00737	1.0
113.02327	35.7
119.03400	8.3
122.58999	0.6
124.01570	2.4
125.02350	4.8
131.03395	2.2
143.03426	4.3
149.04507	1.7
155.03380	0.9
161.04472	9.3
163.05710	0.6
166.66592	0.6
179.05550	4.3
203.05519	0.8
221.06726	0.8
229.13522	0.8
323.25922	1.0
344.18900	0.7
463.07626	0.7
467.30090	7.7
468.30252	1.4
485.31137	11.9
486.31763	1.8
492.32193	0.8
503.32449	1.8
509.31461	0.8
527.32471	1.8
593.33820	1.0
611.35059	1.5
629.35339	21.4
629.44965	1.2
630.35394	3.9
647.36450	42.1
648.36481	6.4
665.37506	10.3
666.37708	1.4
671.37054	1.1
689.37549	12.8
690.38190	2.5
707.38580	16.0
708.39795	2.6
749.40375	1.5
773.33862	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	837.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	1.6
59.01251	100.0
60.01583	1.7
61.21754	1.0
61.98692	4.0
69.03325	1.3
71.01253	45.2
71.49311	1.1
72.99182	3.9
73.02822	12.6
78.95770	1.0
83.01260	5.6
85.02824	18.9
85.74111	1.0
87.00755	3.3
89.02319	20.4
92.61773	1.0
95.01264	7.5
96.95874	1.6
97.02826	1.9
99.00764	2.7
101.02323	22.0
101.02926	0.7
104.75823	1.0
113.02328	39.5
114.02702	1.0
118.28783	1.0
119.03387	6.6
124.01551	3.0
125.02328	4.2
131.03371	1.6
134.05983	1.0
143.03421	4.8
148.03944	1.2
148.05141	1.7
149.04430	1.3
150.05502	1.4
160.01569	1.6
161.04449	8.6
163.07552	2.7
164.71693	1.0
175.03894	1.2
179.05550	2.9
250.41841	1.0
285.57751	1.1
346.13577	1.2
467.30063	4.0
485.31094	10.2
486.31540	1.4
503.32080	1.8
573.32544	1.1
629.35468	24.3
630.35468	4.1
647.36438	44.9
648.36853	9.0
665.37354	13.0
666.38062	2.1
689.37262	12.3
690.38202	3.6
699.68073	1.1
707.38556	20.7
708.38892	4.0
749.39191	2.4
794.39417	1.1
805.30811	1.7
837.31384	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	837.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	2.7
59.01252	47.3
59.88453	0.9
61.98697	6.3
69.03320	3.5
71.01254	53.3
71.50951	1.6
72.99184	4.0
73.02811	9.1
75.00747	1.3
78.95777	0.9
81.03333	1.8
83.01266	7.3
85.02830	13.1
85.99997	1.4
87.00745	14.5
89.02316	37.5
95.01276	4.5
96.95865	1.2
97.02822	5.8
99.00758	2.6
101.02324	42.0
109.02867	1.0
111.00723	1.3
111.80814	0.9
113.02328	24.2
113.03085	1.7
119.03383	7.1
125.02337	15.9
129.01868	1.2
131.03415	6.8
135.75533	0.9
139.03896	1.5
143.03400	7.1
149.04416	2.0
161.04453	15.3
179.05516	13.4
203.05544	2.0
221.06606	5.4
235.08197	8.2
245.06741	1.3
253.09244	12.1
263.07712	1.7
277.21729	28.6
278.21982	2.6
287.07706	1.8
305.08853	2.3
323.09933	4.1
379.12585	2.5
383.11929	1.9
397.13467	49.9
398.13882	3.4
415.14578	20.8
416.14871	1.7
439.14426	1.7
485.15076	2.0
541.17352	1.4
559.18768	100.0
560.19086	10.3
577.19824	37.9
578.20276	3.2
744.75238	1.0
837.41010	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	837.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	19.3
61.98702	1.4
69.61052	3.4
69.61480	4.0
71.01251	10.9
73.02819	1.3
80.04926	1.2
85.02815	2.6
85.41304	1.0
86.98844	0.9
87.00742	1.5
89.02318	8.8
94.02880	1.8
96.95883	1.2
101.02327	6.7
106.06494	3.8
106.10416	0.9
108.04424	2.3
113.02322	4.0
115.00267	1.0
119.03380	2.5
122.05993	4.4
124.03912	2.0
132.04449	2.9
134.06021	15.1
136.03941	4.1
138.05563	2.5
147.05528	1.8
148.03867	1.3
150.05505	3.9
152.07069	3.7
165.01904	1.0
168.06598	2.2
173.68460	0.9
174.05562	1.5
174.60129	1.1
175.05026	1.9
190.05060	1.6
201.10277	6.8
205.05000	1.6
213.10268	4.1
223.06075	1.3
227.11879	3.0
229.09770	10.2
229.13434	2.7
239.11829	3.8
241.09810	1.3
245.12819	1.1
251.11871	1.1
255.11322	5.7
257.12894	2.5
265.09787	1.6
267.11475	1.4
273.12527	1.8
277.09576	1.5
279.11420	1.8
289.11990	2.4
295.10806	1.1
301.11832	6.7
305.09412	1.6
314.12589	1.8
319.12988	21.5
320.13306	2.3
337.11752	1.3
344.10245	1.2
344.13907	1.4
359.12747	1.5
362.14380	1.1
368.13904	1.1
372.13388	1.6
374.14993	4.2
384.12805	1.0
392.16040	3.0
398.15237	1.3
400.12689	1.7
403.15591	1.1
406.17740	1.7
416.16016	3.5
418.13666	1.3
432.15292	2.0
433.15628	1.1
434.17154	3.1
446.17365	4.2
460.14990	2.2
472.16089	1.1
478.16089	2.1
517.18152	1.4
756.68127	1.1
761.30377	2.1
777.29700	2.5
787.28497	2.0
805.29370	100.0
806.29755	24.4
837.31891	31.5
838.32501	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	837.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.5
59.01247	20.5
60.20982	0.5
61.98685	0.6
62.94617	0.5
69.36835	1.5
69.37254	2.9
70.38737	0.5
71.01252	8.8
72.99185	0.8
73.02831	0.8
77.77619	0.5
80.04913	1.7
83.01245	0.8
85.02828	3.0
87.00745	1.0
89.02314	6.4
94.02870	2.9
94.06466	0.8
95.01234	1.1
98.20564	1.0
99.00697	0.6
101.02319	6.4
104.04064	0.5
104.04937	1.2
106.06495	3.8
108.04428	2.3
113.02320	3.8
118.06508	0.6
119.03390	2.3
120.04464	0.6
120.08089	0.9
122.06013	4.6
123.03136	0.8
124.03925	3.6
130.06470	0.5
132.04428	2.3
134.05011	1.1
134.06004	17.4
136.03918	5.0
137.04700	0.8
138.05504	2.7
147.05513	1.5
148.03902	1.1
150.05527	4.9
151.05823	0.7
152.07085	4.0
157.30525	0.6
158.09570	0.6
160.03918	1.0
161.03448	0.8
162.05464	0.7
168.06543	2.3
174.05486	0.9
175.05051	1.6
186.12730	0.7
186.71881	0.5
190.04993	1.9
192.06599	0.7
197.07211	0.6
201.10251	9.7
213.10283	3.6
215.11821	0.7
223.08667	1.5
225.10254	1.1
227.08128	0.7
227.11852	3.0
229.09773	9.0
229.13335	4.0
230.10129	0.7
235.08714	0.8
237.10280	1.4
239.11870	4.0
240.12134	0.6
241.09789	1.0
243.11343	0.9
245.12950	1.1
247.10835	1.5
249.10065	0.5
251.11829	0.7
255.11259	3.1
257.12866	2.6
258.13239	0.6
263.08228	0.8
265.09839	0.7
267.11398	1.2
273.12448	1.3
277.09793	1.3
279.11313	1.0
285.12460	0.6
287.10397	0.6
289.11945	2.0
291.07724	0.5
291.11203	0.7
295.10938	1.1
301.11920	7.2
305.09219	1.7
308.11328	0.5
314.12695	1.1
316.10880	0.8
318.12433	0.8
319.12976	21.0
320.13342	1.4
330.12555	1.2
332.14151	0.8
337.11847	1.4
342.12177	1.1
344.13922	1.2
346.12170	0.6
356.10410	0.7
356.14136	0.9
358.11996	1.4
359.12589	1.1
370.11801	0.7
370.15854	1.2
372.13419	2.0
374.15018	3.6
386.10974	0.9
386.15137	0.9
388.16699	0.7
390.14371	0.9
391.15323	1.1
392.16208	2.8
398.14917	0.9
400.12875	1.6
401.13525	0.6
402.14172	0.7
403.15024	1.0
406.17914	1.1
415.15176	0.6
416.16013	2.6
418.13611	1.3
418.18372	0.9
419.92072	0.7
428.15985	0.7
430.14157	1.1
431.14813	1.0
432.15494	2.7
433.16101	0.7
434.17242	3.0
446.16995	3.3
447.17816	0.8
460.15039	1.4
472.15051	0.9
475.17316	1.3
478.15894	1.2
484.72076	0.6
490.16138	0.9
506.19897	0.6
517.18103	1.6
521.21729	0.6
539.22119	0.7
579.22900	0.9
625.23181	0.9
719.29297	1.3
743.28668	0.7
759.28632	1.4
761.30164	4.0
762.31268	0.8
777.30426	1.1
787.28192	1.4
793.33026	0.6
805.29327	100.0
806.29663	24.1
819.30237	0.6
837.31885	23.7
838.32373	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	835.361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.6
61.98705	0.5
63.60160	0.3
71.01250	5.0
71.49421	0.7
73.02816	1.8
85.02827	2.0
87.00744	0.4
89.02293	2.5
89.94835	0.4
96.95895	1.8
98.43666	0.4
99.00763	0.5
101.02312	2.5
113.02344	2.9
117.72712	0.4
119.03385	0.7
121.02862	0.6
122.05989	0.4
125.02318	0.4
134.06003	1.2
143.03416	0.5
147.04431	1.5
148.05199	100.0
149.05525	4.2
150.03128	0.4
151.00288	0.7
152.07083	0.7
152.16299	0.4
161.04515	0.7
163.07553	97.9
164.07877	5.0
209.11813	1.3
227.12996	0.6
239.11888	0.5
254.92828	0.4
291.18256	0.6
293.09448	0.5
300.02737	0.9
301.03537	2.6
315.05005	0.5
367.14093	1.2
371.59250	0.4
400.16440	0.5
423.22086	1.9
432.73950	0.5
483.29669	0.7
609.23407	0.5
618.79584	0.4
627.33948	0.7
645.35168	2.5
663.36456	0.5
687.36139	0.7
705.37604	1.3
771.28857	1.9
772.29004	0.5
803.31152	1.6
835.34045	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	835.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00447	1.1
59.01249	35.5
60.36982	0.8
61.98685	1.3
71.01253	20.4
71.04725	1.5
71.05064	1.0
72.99176	1.4
73.02803	2.5
78.67490	0.8
80.04929	2.4
83.01266	1.3
85.02804	4.9
87.00726	2.1
89.02316	13.4
95.01248	2.1
101.02325	12.5
104.04933	1.3
106.06497	5.6
107.03661	0.9
108.04422	1.7
113.02319	6.6
119.03374	4.9
120.04449	0.8
122.05994	11.2
132.04451	2.9
134.06013	28.8
135.06288	1.0
136.07613	1.5
146.05983	1.0
148.03998	1.0
148.07523	1.1
150.05472	1.2
152.07076	6.9
160.06293	1.4
160.93700	0.9
161.04489	1.0
174.05527	1.6
179.05565	1.2
180.04225	0.9
180.06567	2.1
188.07059	2.3
190.05016	2.4
209.11821	6.9
211.08696	2.2
213.10281	7.4
225.10300	2.6
227.11826	1.2
235.08679	2.3
237.10178	2.4
239.11852	7.7
241.13513	4.7
247.08592	1.0
249.10286	3.8
250.07439	2.3
251.08083	4.1
251.11884	4.0
252.08904	2.8
253.09734	4.8
261.10260	1.1
263.08240	3.1
264.08987	2.9
265.09866	6.0
267.11386	5.3
277.09811	6.8
278.06970	3.1
278.10526	8.5
279.07736	6.2
279.11328	7.7
280.08270	1.1
280.11853	1.3
285.12421	11.2
290.10794	1.5
291.11310	2.9
292.08469	3.3
292.11816	1.1
293.09399	11.2
293.12680	1.7
294.10052	4.2
295.10825	6.7
305.09280	3.6
306.10037	2.6
307.10849	6.5
309.12372	2.0
314.12561	2.7
321.08902	5.0
325.12469	1.1
333.08890	1.9
337.08194	2.6
337.11746	1.0
338.08969	1.1
339.09738	3.8
340.14505	1.8
343.13025	1.1
351.09784	4.4
356.13904	1.3
358.15564	3.9
359.16110	1.2
368.13889	1.1
370.11636	1.8
370.15698	1.1
371.16397	1.1
372.17142	1.9
382.15649	1.2
384.13419	2.5
385.13983	1.3
386.14954	0.9
396.13171	1.1
397.13712	2.5
398.14890	2.1
400.16559	7.2
401.17108	1.2
410.14825	1.7
412.16620	4.0
424.16602	2.1
425.17438	1.7
440.16177	1.6
442.17929	1.3
458.17325	2.6
468.15466	2.6
470.17181	1.1
486.16779	3.4
502.16086	1.3
592.19995	1.0
595.09802	1.0
602.20825	1.0
620.22290	3.2
621.22449	1.1
622.23633	1.2
638.23938	6.6
648.21893	6.3
649.22559	3.6
666.22949	30.0
667.23590	5.2
680.24432	3.7
681.24695	1.8
698.25537	1.6
712.27155	11.5
713.27881	2.8
727.30011	7.1
728.30060	1.9
771.28796	54.0
772.29132	12.2
803.31396	100.0
804.31793	22.3
835.34052	21.2
836.34283	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	833.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.6
61.98703	0.8
71.01268	3.0
71.49387	0.5
71.49764	0.7
73.02816	0.8
78.09985	0.4
78.95766	1.0
85.02835	1.0
89.02306	1.2
94.96590	0.5
96.95897	1.7
101.02313	1.4
108.04437	0.5
113.02351	0.6
115.00250	0.5
119.03379	0.6
128.03415	0.6
129.58260	0.5
132.04411	0.7
134.06003	1.9
152.07037	0.7
158.02281	0.7
175.02428	0.5
190.04977	3.1
198.09145	2.1
202.08714	0.8
212.05937	0.8
223.08659	0.8
226.07434	1.7
228.09015	3.4
239.11874	13.7
240.12103	0.7
241.09801	81.8
242.10126	4.2
243.11484	1.0
255.11409	2.3
256.12161	45.9
257.12473	3.3
257.76245	0.5
258.06085	0.5
300.11182	10.6
301.11447	1.2
315.13513	100.0
316.13809	8.8
323.10303	0.5
337.12021	3.7
410.15195	0.6
517.18243	15.1
518.18799	3.7
657.25623	0.5
725.28406	1.8
757.31030	1.4
833.32690	2.8
833.48560	0.8
844.25720	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	835.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	1.7
59.01251	100.0
61.98703	2.3
63.56636	1.2
69.03311	1.8
71.01254	32.3
71.13336	2.4
72.99158	2.2
73.02808	5.9
75.48083	1.2
80.04917	1.8
83.01259	3.6
85.02818	10.2
87.00769	3.4
89.02319	19.1
91.10851	1.2
95.01250	3.7
96.95886	5.5
97.02829	1.7
99.00755	2.6
101.02326	19.4
106.06481	3.8
108.07996	1.3
113.02322	15.9
119.03376	5.8
120.04463	1.8
122.05996	8.9
124.01566	1.8
125.02293	3.8
128.03474	1.8
132.04449	1.3
134.06006	27.5
136.07552	1.6
143.03407	2.3
148.07687	1.6
150.05472	1.3
151.03868	1.2
152.07065	5.8
160.03909	1.5
161.04456	2.9
170.68567	1.4
179.05634	1.3
180.08298	1.2
188.07077	3.0
190.05011	1.8
209.11751	11.7
211.08824	1.8
213.10223	5.2
225.10251	2.9
227.12755	4.5
235.08710	1.5
237.10115	2.1
239.11856	5.6
241.13341	3.1
249.10284	2.6
250.07407	4.3
251.08220	3.7
251.11906	4.6
252.09004	2.5
253.09688	5.1
263.08167	3.6
264.08932	2.7
265.05908	1.3
265.09668	7.0
266.10361	1.7
267.11423	7.1
277.09778	5.9
278.06961	7.5
278.10422	5.4
279.08014	9.6
279.11389	8.1
285.12469	7.3
291.07648	3.3
292.08432	4.0
293.09323	20.4
294.10196	6.1
295.10965	6.2
305.09259	5.4
306.10016	3.5
307.10840	8.7
309.12411	4.5
314.12506	2.7
321.08798	5.0
321.12262	1.8
337.08420	7.2
338.08994	3.1
339.09686	4.8
342.12128	1.3
351.09851	2.6
358.15631	2.5
370.15686	1.7
372.16879	1.5
384.13461	1.9
397.13770	3.5
398.14783	2.4
400.16595	3.0
412.16736	3.8
414.18079	2.6
424.16217	2.0
440.16254	1.6
441.16696	1.5
458.17023	2.5
486.16470	4.4
487.16873	1.8
502.16074	2.7
504.17477	1.9
620.22302	5.5
621.23322	2.8
627.33777	9.1
638.23572	8.5
645.34814	23.6
646.35370	3.0
648.21802	3.4
649.22607	3.0
663.35773	10.8
666.23016	38.1
667.23083	7.3
680.24426	14.2
681.25458	1.9
687.35535	5.2
698.25531	3.6
705.36896	11.3
712.27216	51.1
713.27130	7.7
727.29730	4.9
771.14783	2.1
771.28827	38.7
772.28998	9.0
803.31427	99.7
804.31549	20.5
835.34198	26.2
836.34283	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	827.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.8
61.98703	25.7
69.37511	0.6
70.17324	0.6
71.01258	2.4
71.49570	0.9
78.95771	0.7
85.02842	1.4
88.09906	0.6
89.02310	1.2
93.03327	4.2
96.95901	1.9
101.02317	0.8
108.02029	1.2
108.70998	0.6
109.02810	1.3
111.44915	0.7
113.02357	0.9
116.92766	0.8
121.02852	5.4
122.03635	15.7
123.00764	1.0
123.04509	1.0
124.01502	0.8
133.02861	2.0
134.03627	0.8
136.01543	3.0
137.02328	1.2
138.03206	0.7
139.03940	1.0
142.30267	0.7
145.02888	1.1
147.04395	1.0
149.02345	22.7
150.03128	100.0
151.00288	6.1
151.03484	4.1
153.01917	0.8
159.04407	1.1
161.02353	1.8
162.03169	1.3
164.04707	4.0
165.05479	98.8
166.02634	11.7
166.05763	3.6
167.03276	0.8
168.04190	6.8
174.03090	0.8
175.03917	6.1
177.05409	0.8
178.87820	0.7
179.03381	1.0
179.07016	2.3
180.04205	8.0
181.04980	38.0
182.05264	1.9
189.05505	1.3
190.06313	3.8
191.03346	1.2
191.06952	1.0
193.05006	3.0
194.05782	1.0
195.06554	62.9
196.06917	3.1
199.18927	0.6
202.27333	0.6
205.08606	4.7
208.07332	2.5
223.09695	5.6
225.07651	1.5
230.73573	0.7
245.66951	0.7
255.02600	1.1
266.05841	1.0
281.08112	0.9
282.05521	1.0
283.09747	1.5
295.10306	1.0
312.06329	0.8
315.08734	0.7
327.08810	1.4
329.10217	2.5
342.11166	1.7
355.11655	0.7
357.13510	4.8
375.14508	1.8
377.12354	1.4
405.15469	4.9
417.15451	1.1
460.17841	1.1
553.20654	9.6
554.20862	1.4
601.22845	2.5
623.23761	3.5
631.24060	5.7
632.23743	0.8
641.56830	0.8
767.25946	0.9
767.39716	0.7
779.30652	3.2
780.28815	1.1
803.00085	0.8
827.30988	9.8
828.32184	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	827.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.7
61.98707	2.2
67.99762	0.5
69.42827	0.4
69.43124	4.3
71.01257	1.8
79.57613	0.5
85.02847	0.7
86.25387	0.5
89.02319	0.7
93.03336	5.0
96.95921	1.0
101.02369	0.8
105.03301	0.7
108.02048	0.8
109.02839	0.8
110.35943	0.5
110.59797	0.5
121.02841	7.3
122.03635	15.0
122.14619	0.5
123.00768	0.8
123.04455	0.5
124.01579	1.2
129.03784	0.5
132.02065	0.7
133.02852	1.8
134.03629	1.7
135.04408	1.5
136.01549	2.4
137.02341	2.1
139.03925	0.7
145.02786	1.1
146.03674	2.3
147.04431	1.8
148.01505	0.5
149.02348	28.4
149.05948	0.7
150.03125	100.0
151.00275	5.8
151.03427	4.2
153.01851	1.1
153.05450	1.2
161.02350	1.9
161.06076	0.7
162.03043	0.6
163.03940	1.4
164.04684	6.2
165.01816	2.5
165.05479	93.5
166.02626	17.0
166.05798	3.2
167.03255	1.0
168.04184	15.5
173.02374	0.8
174.03120	0.9
175.03914	8.7
176.01036	1.0
176.04646	1.7
177.01872	1.8
177.05457	1.0
179.03531	2.7
179.07036	4.5
180.04201	8.7
181.04980	35.5
182.05341	1.4
188.04716	1.6
189.05440	1.1
190.06258	8.6
190.07869	0.7
191.03445	1.3
191.07005	2.1
192.04164	1.6
193.04990	4.2
194.05789	2.6
195.06554	45.9
196.06976	2.5
203.07047	1.1
205.08653	6.8
207.06572	3.8
208.07361	3.9
209.08195	2.4
223.06082	1.3
223.09714	6.0
224.06714	0.5
225.07645	2.8
246.45361	0.5
261.05426	0.5
266.05841	0.7
267.03033	0.6
282.05377	1.9
283.06061	1.0
297.04016	0.9
297.07507	1.0
309.07889	0.7
312.06308	1.1
314.07721	0.7
315.08899	1.3
325.07269	0.9
327.08731	2.7
329.10254	3.8
342.11023	3.2
343.11703	1.0
355.11646	0.7
357.13385	5.9
358.13898	0.7
373.12946	2.1
375.14240	1.0
377.12302	0.9
387.15021	0.5
405.15573	5.8
417.15613	0.6
421.14578	1.3
433.15005	0.7
435.16614	1.6
553.12561	1.0
553.20776	14.2
554.21191	1.5
583.21893	1.8
599.21228	0.9
601.22992	2.7
620.43152	0.6
631.23871	8.3
632.24255	0.6
731.27075	6.8
732.27612	1.4
779.29358	7.4
780.29053	1.6
827.31000	9.8
828.31543	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	831.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
62.96289	0.6
63.72361	0.3
66.85535	0.3
71.01260	0.7
71.06767	0.6
74.60970	0.3
78.95776	100.0
79.95617	0.5
80.96386	2.6
93.90394	0.3
94.97986	0.4
96.96841	22.2
134.98438	1.1
137.39001	0.3
137.59552	0.3
137.89886	0.3
141.01598	0.5
152.99496	19.1
170.54237	0.3
177.01646	0.3
223.00072	6.1
241.01161	25.4
242.01477	0.5
253.21559	0.6
255.23265	46.5
256.23657	3.1
259.02246	1.8
259.20789	0.4
277.21725	27.1
278.22128	2.5
297.03726	1.5
315.04965	0.8
391.22467	3.6
392.22754	0.4
409.23624	0.5
413.21014	0.9
553.28009	3.0
571.29028	0.5
575.26233	0.8
642.08862	0.3
831.50275	45.1
832.50684	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	826.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
70.80378	1.9
70.80704	0.9
71.01255	3.3
73.02787	0.9
89.02313	2.4
90.02534	0.9
93.03323	1.0
101.02359	1.5
109.02826	1.0
117.03360	8.8
119.03379	1.0
119.04935	1.7
121.02857	0.8
122.06011	1.0
123.04415	2.0
131.03685	1.0
132.02080	2.0
132.04453	2.5
133.02853	36.1
134.03459	0.8
135.04405	13.5
138.01849	0.8
145.02855	50.7
146.03229	2.4
146.05974	1.4
148.03954	22.5
149.04784	5.1
150.05511	94.0
151.05850	3.1
160.03925	1.3
161.02351	100.0
162.02721	4.3
162.05481	1.3
164.03325	1.4
171.99448	0.8
174.05539	1.7
179.03436	8.2
194.04520	98.4
195.04857	4.1
195.73433	0.8
202.05037	1.9
203.03421	1.7
229.55467	0.8
236.43994	0.8
268.09933	0.9
296.09302	16.5
297.09445	1.0
340.08234	7.3
341.08685	0.9
344.88419	1.1
356.07730	1.9
382.08542	0.9
383.09583	1.2
443.11862	1.0
485.12973	19.6
486.13269	2.6
518.15112	41.6
519.15070	3.7
570.75183	0.8
664.18842	34.2
665.19183	6.0
680.18311	64.0
681.18677	11.0
826.21844	14.4
827.22638	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	826.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.4
71.01268	5.4
71.49165	1.4
73.02824	1.8
85.02820	1.4
87.00749	1.3
89.02309	3.7
93.03344	1.5
93.19612	0.8
96.95884	0.8
101.02327	5.4
101.32278	0.6
107.55408	0.8
109.02858	1.0
111.00705	0.7
113.02343	2.8
117.03346	15.5
119.03365	1.0
119.04961	1.5
120.04475	0.8
122.06031	1.5
123.04366	1.4
131.03557	2.3
132.04437	2.2
133.02922	1.1
136.03941	0.8
138.01871	1.0
145.02858	69.5
146.03221	2.3
146.05983	1.3
147.03168	2.8
148.03955	49.4
149.04727	7.2
150.05513	100.0
151.05861	3.3
160.03931	1.9
161.02359	3.7
161.04474	2.2
162.05492	0.8
163.02678	0.8
164.03416	2.6
174.05551	2.5
176.03534	0.8
192.06593	1.2
194.04520	76.5
195.04811	2.7
202.05049	2.7
204.06464	0.7
220.02475	0.9
221.06665	2.4
252.10513	1.5
293.21191	0.7
296.09277	11.5
297.09811	1.0
340.08176	4.3
367.56808	0.8
374.25409	0.7
518.15320	1.3
562.46698	0.9
661.46136	0.8
680.20416	51.4
681.20386	6.2
725.75208	0.8
826.24146	22.6
827.24188	4.4
848.99146	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	823.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98699	7.8
62.52819	1.6
67.29304	1.8
71.01254	36.2
71.49747	2.8
72.99177	3.5
73.02834	10.2
73.04003	1.8
78.76781	1.5
83.01244	4.8
85.02822	14.0
87.00738	5.3
89.02316	13.6
95.01269	6.0
96.95850	3.3
99.00768	3.0
101.02332	18.2
104.47719	1.6
113.02328	35.6
115.00263	4.0
116.92738	6.1
119.03358	5.0
124.01530	2.3
125.02327	5.1
129.06650	2.0
133.01294	8.5
133.05014	1.7
143.03346	4.2
161.04486	7.2
165.05547	2.3
195.06543	2.9
200.54507	1.6
211.13364	3.2
252.49994	1.7
471.33035	7.6
510.06519	2.1
615.37439	13.1
616.37653	3.2
633.38483	38.3
634.38910	7.2
651.39368	11.4
675.39667	11.4
693.40631	17.0
694.40509	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	824.508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.6
63.92215	1.6
68.50475	1.7
78.95763	9.0
81.03326	4.1
83.01263	7.9
83.04903	3.4
94.45448	1.4
95.00539	1.4
95.04911	2.9
97.02837	3.9
97.06451	8.7
98.19765	3.8
107.04960	2.4
109.06462	1.5
120.60137	1.4
121.06502	1.8
123.04399	7.9
123.08073	3.4
125.09608	15.8
135.08058	2.8
137.09583	9.8
142.02657	1.8
149.05971	2.0
149.89040	1.4
151.11180	1.7
152.99460	2.7
161.09578	2.2
163.07480	1.9
163.11179	12.0
165.12724	4.3
181.12283	2.7
185.11798	9.8
191.10744	3.4
191.14345	15.9
207.10201	8.0
209.11772	73.7
210.12054	5.6
211.13257	1.9
225.11269	7.6
229.99361	2.4
245.19092	29.1
246.19366	2.5
261.57431	1.8
263.20016	2.9
271.17230	2.1
277.21716	93.0
278.22000	8.7
289.18082	100.0
290.18411	7.4
307.19135	91.4
308.19260	7.6
317.82407	1.7
502.29446	40.3
503.29510	3.8
579.47931	1.7
674.36090	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	823.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98700	8.1
69.03323	4.0
71.01253	55.7
71.16875	2.8
72.69955	2.0
72.99181	5.0
73.02825	11.0
83.01266	7.4
85.02826	29.1
87.00742	4.1
89.02322	10.5
95.01250	4.4
96.95892	2.8
97.02836	3.8
99.00747	8.1
101.02313	20.4
112.01543	3.7
113.02335	36.2
116.92761	5.4
119.03425	5.5
124.01570	4.3
125.02315	8.1
125.43320	1.9
141.01610	36.5
143.03410	6.9
143.44171	2.2
161.04430	6.0
164.04890	2.5
166.99484	3.3
171.32802	2.2
183.02643	5.4
211.13245	2.6
221.81404	2.0
287.02307	2.1
449.29007	2.3
549.31812	2.3
593.33258	29.9
594.33844	6.5
611.34296	85.9
612.34460	12.2
615.31000	3.0
633.31543	13.4
651.33417	9.5
652.33533	2.9
653.35358	32.7
654.35999	4.2
693.33136	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	823.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	1.5
59.01249	100.0
60.01583	1.2
61.98703	1.0
67.01758	0.3
69.03328	0.9
71.01251	34.1
71.48574	0.3
71.48928	0.6
72.01594	0.6
72.99164	1.9
73.02819	10.0
75.00753	0.4
81.03333	0.5
83.01251	4.1
85.02822	14.3
87.00739	2.6
89.02313	15.1
90.02646	0.4
95.01263	4.5
97.02824	1.6
99.00759	1.8
101.02320	16.8
102.02638	0.5
111.00771	0.5
112.01550	0.3
113.02328	30.3
114.02681	0.5
115.00274	0.4
115.03906	0.3
116.92763	0.8
119.03393	5.7
124.01543	2.8
125.02341	4.3
131.03409	1.3
141.01889	0.4
143.03400	4.2
149.04497	0.9
155.03453	0.4
161.04453	8.6
179.05528	2.4
201.86501	0.3
203.05589	0.7
221.06638	0.3
296.52469	0.3
309.20801	0.3
329.19843	0.4
357.10104	0.3
453.32407	1.1
454.32761	0.3
471.33240	7.1
472.33878	0.9
489.34616	0.9
513.34546	0.8
525.78882	0.4
541.33722	0.3
567.35425	0.3
579.35815	1.1
584.71533	0.3
597.36743	1.1
615.37463	13.7
616.38037	2.0
633.38519	36.0
634.38977	5.6
651.39581	11.3
651.50739	0.6
652.40533	1.2
675.28131	0.5
675.39575	8.9
676.40057	1.5
693.40613	16.5
694.41272	2.9
735.41614	1.6
736.42645	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	821.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
58.00468	1.4
59.01250	100.0
60.01593	1.1
61.98717	0.4
69.03331	1.3
70.51308	0.6
70.51663	1.0
71.01253	36.2
72.99178	2.2
73.02821	10.9
74.24180	0.3
75.00739	0.7
76.22184	0.3
80.76979	0.4
81.03326	0.6
83.01257	4.7
85.02821	14.0
85.99948	0.4
87.00744	3.3
89.02319	15.0
90.02657	0.4
95.01264	3.9
96.95882	0.7
97.02811	1.7
99.00724	1.9
101.02321	16.9
111.00780	0.7
112.01530	0.5
113.02332	31.4
114.02736	0.4
119.03385	5.5
124.01568	2.0
125.02342	4.5
131.02571	0.3
131.03384	1.6
133.39114	0.3
143.03406	4.7
149.04497	0.9
155.03378	0.5
161.04457	8.5
167.03369	0.3
179.05504	2.6
185.04434	0.4
203.05508	0.5
469.31607	6.2
470.32266	0.4
511.33447	0.6
577.33716	0.8
595.35126	1.2
613.35919	9.6
614.36475	1.6
631.36932	34.3
632.37183	5.6
649.37976	11.0
650.38452	2.0
673.38031	7.3
674.38855	0.9
691.38971	12.5
692.39221	2.8
733.40735	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	821.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.8
58.00447	1.7
59.01250	100.0
60.01576	1.0
61.98700	2.2
63.90707	0.7
64.65302	0.7
66.77068	0.7
69.03304	2.3
69.32893	2.9
69.33318	3.8
71.01254	45.5
72.99165	1.6
73.02817	12.5
73.09974	0.7
75.00714	0.8
78.95771	0.8
83.01260	5.9
85.02829	16.0
87.00717	3.7
89.02319	19.2
95.01258	5.5
96.95882	2.1
97.02821	2.5
99.00755	1.8
101.02325	21.1
111.00766	0.8
112.01564	1.5
113.02329	34.5
116.92776	1.2
119.03391	6.1
120.84518	0.8
124.01542	3.0
125.02341	6.0
131.03362	1.4
138.57100	0.8
143.03416	7.0
149.04446	1.2
155.03380	1.4
161.04468	10.3
179.05498	2.1
185.34578	0.8
191.31998	0.7
201.00273	0.7
250.25093	0.7
276.90274	1.0
391.33716	0.8
451.30646	1.2
469.31616	7.1
470.31473	1.3
487.32678	1.1
577.33368	0.9
595.34692	1.8
613.35950	11.2
614.36029	2.0
631.36993	44.1
632.36945	6.4
649.37970	14.1
650.37994	2.9
673.38062	8.7
674.37878	2.2
691.39148	15.6
692.39221	3.8
733.40363	1.3
755.22168	0.9
782.07513	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	821.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.2
58.00478	1.6
59.01249	100.0
60.01586	1.7
69.03340	0.8
69.61023	4.4
71.01252	45.9
71.23859	0.7
71.33179	0.6
72.99178	2.3
73.02818	14.7
83.01258	3.8
85.02820	14.8
85.03301	1.2
87.00771	3.2
89.02312	17.7
89.02843	1.4
95.01264	5.2
96.95910	1.7
97.02823	1.7
99.00780	1.7
101.02322	26.0
113.01535	1.6
113.02328	33.0
114.02663	1.2
116.92741	0.7
119.03378	8.2
124.01549	2.8
125.02365	3.9
131.03412	2.5
143.03397	4.7
149.04482	1.8
161.04483	9.5
179.05545	5.1
202.56804	0.8
221.06602	0.8
250.29146	0.7
257.12802	0.8
322.14102	0.7
397.13101	0.9
451.30090	1.0
469.31827	2.9
470.32040	0.8
494.53455	0.9
613.35815	9.3
614.36816	1.8
631.36981	26.9
632.37555	5.0
649.38025	9.9
650.38104	1.3
673.37903	7.5
674.38239	2.3
691.39105	14.6
692.39923	2.9
733.40546	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	819.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02142	0.3
59.00969	0.4
59.01252	5.1
61.98710	0.5
63.28493	0.3
67.01756	0.7
70.00180	0.2
71.01256	1.4
71.08330	0.2
71.49548	0.3
71.49963	0.5
72.99176	0.5
73.11979	0.2
79.05389	0.5
85.02815	0.4
89.02333	0.9
91.15710	0.2
95.04907	0.5
96.95873	0.5
101.02332	0.8
106.06520	0.4
108.04401	0.4
108.75954	0.2
113.02338	0.6
116.92785	0.4
119.03410	0.5
120.04462	2.3
121.02827	0.3
121.05222	2.0
122.06013	6.5
132.04446	0.6
134.06007	3.6
135.06808	1.0
136.07579	11.9
146.06061	0.4
148.07581	0.7
150.03194	0.3
150.05493	0.4
151.00249	0.4
152.07014	0.5
158.02396	1.1
160.03960	0.4
160.06317	0.3
161.07129	0.6
162.05475	0.9
165.01933	0.3
171.11731	2.4
172.07686	0.3
176.03546	0.4
184.07657	0.3
186.09195	0.9
189.10275	0.4
190.05035	5.4
192.06596	0.4
193.05048	0.3
198.09204	2.2
199.10016	1.6
212.10738	0.3
214.07443	0.3
214.12312	11.6
215.12589	0.5
225.06708	0.5
226.07449	1.1
227.08163	2.8
228.08948	1.0
229.09796	4.4
230.11870	3.9
241.09781	8.7
242.10567	15.4
243.10962	1.4
255.11359	0.5
256.12173	1.0
257.12927	83.0
258.13269	5.9
283.10745	0.5
300.11148	0.9
301.11920	100.0
302.08951	0.5
302.12250	6.6
314.12466	0.5
337.11862	2.0
338.12231	0.4
359.40210	0.3
381.28040	0.3
389.92032	0.3
517.18250	19.2
518.18573	3.3
715.26813	0.6
743.28821	0.6
775.32758	0.8
787.28302	1.1
819.31000	2.5
820.31067	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	821.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.0
59.01249	29.3
61.98685	4.3
65.17926	1.2
71.01254	17.1
71.04882	2.8
72.99163	2.7
73.02792	1.4
80.04913	3.4
83.01243	1.7
85.02814	3.0
87.00738	1.6
89.02323	13.6
96.95891	4.4
101.02316	8.0
106.06518	7.4
107.03629	1.5
108.04431	3.3
108.08089	1.9
113.02314	5.8
118.06446	1.2
119.03382	5.0
122.06016	9.1
123.04300	1.3
132.04436	1.3
134.06009	27.9
136.07527	2.1
146.05992	2.3
149.02287	1.4
150.03062	1.5
152.07060	7.3
160.04025	1.3
162.05556	1.7
165.01729	1.4
174.05469	2.2
177.01784	1.3
180.06561	5.0
188.07065	6.7
201.11206	1.6
211.08569	3.6
213.10153	1.7
223.08617	1.6
225.10332	6.1
227.11780	1.8
236.09511	1.5
237.10286	2.2
237.13896	1.5
238.07304	2.1
239.11804	3.9
249.10358	2.2
250.07381	1.6
251.08194	4.9
251.12096	3.8
252.08868	3.0
253.09834	8.5
262.07364	1.4
263.08130	1.7
264.08896	3.9
265.09872	6.0
265.81000	1.2
266.10419	2.3
267.11377	6.2
277.09860	6.0
278.10367	2.6
279.07745	5.3
279.11301	9.8
281.08862	1.4
283.09894	1.5
285.12424	1.3
291.07858	1.9
292.08505	4.3
293.09280	10.3
294.10016	2.9
295.10889	16.4
296.11032	1.4
305.09348	3.9
307.10831	10.3
308.11615	1.7
311.10059	1.5
321.08633	5.8
333.08789	3.3
339.09845	6.4
351.09879	4.4
356.85800	1.2
358.15509	1.8
366.71484	1.3
372.17426	1.5
384.92706	1.5
400.16458	2.5
409.05261	1.4
412.16556	2.4
414.18411	2.1
428.24780	1.4
440.16138	4.2
458.16937	3.8
459.17282	1.9
468.15610	3.7
486.16687	3.4
536.19305	1.5
602.21521	1.6
620.22198	4.1
623.24066	10.3
624.23993	1.8
638.23724	8.0
648.22113	2.4
652.20935	1.8
659.23553	2.2
666.22980	100.0
667.23328	18.0
670.26471	1.7
675.55829	1.3
698.25574	85.2
699.25720	15.2
727.28766	1.7
771.28955	11.5
772.28491	3.2
777.35321	2.7
789.29736	17.3
790.30255	4.0
803.31525	7.7
821.30737	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	817.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86898	0.7
59.01249	100.0
60.01588	1.0
61.98705	3.3
69.03339	0.7
69.40749	0.5
71.01253	3.1
85.02831	0.8
89.02296	2.8
96.99287	0.5
97.02866	1.4
101.02335	1.8
113.02340	0.7
125.02392	0.9
141.01601	59.4
142.01961	1.6
209.09288	0.5
235.08162	0.6
243.04832	0.6
277.21756	7.0
323.32007	0.6
359.22058	5.1
397.13480	13.4
415.15005	2.8
415.20038	0.7
419.11893	2.6
437.12750	4.7
675.36212	1.3
697.34424	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	817.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97582	0.5
59.01249	100.0
60.01582	0.8
61.98703	3.0
69.03339	0.5
71.01255	2.2
71.50335	0.9
78.26611	0.5
80.96394	0.9
83.01295	0.6
87.00744	0.7
89.02329	1.8
96.99192	0.6
97.02838	1.0
101.02335	1.6
113.02312	1.2
119.03390	0.7
125.02381	0.8
136.40649	0.5
141.01607	55.4
142.01961	0.5
142.04996	0.8
169.33757	0.5
235.08287	0.8
244.93396	0.5
277.21661	6.3
302.17694	1.2
359.22009	4.9
397.13519	11.4
398.13800	0.7
415.14731	2.6
419.12079	3.2
437.12878	2.3
463.11594	0.6
469.06473	0.6
675.35938	1.0
697.34277	1.4
817.50867	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	818.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
69.74300	0.2
70.16750	0.2
78.95790	0.4
80.95468	0.2
80.96400	0.8
81.71677	0.2
94.98021	0.3
97.49704	0.2
98.19666	0.4
108.88987	0.2
122.97437	0.2
136.57848	0.2
152.99628	0.3
181.20009	0.2
209.11806	0.4
298.92825	0.2
523.99115	0.2
813.37085	0.3
819.42175	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	817.351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.2
58.00474	2.2
58.61389	0.8
59.01249	100.0
60.01596	1.1
60.34547	1.0
61.98708	5.0
62.47211	0.8
69.03334	3.1
69.32730	7.8
70.29512	1.1
70.32745	0.9
71.01254	50.3
72.01596	1.1
72.99183	2.7
73.02824	12.5
74.78918	0.9
78.95782	3.6
79.95596	1.4
80.96394	1.2
83.01270	6.1
83.04917	1.5
85.02818	19.7
87.00756	5.4
89.02316	16.8
95.01270	5.5
96.95890	8.5
96.96842	1.1
97.02843	2.5
99.00759	2.8
101.02325	23.0
102.05486	6.8
111.00760	1.7
113.02330	33.7
114.02669	1.0
116.92744	2.4
119.03397	8.1
124.01546	2.8
125.02343	5.3
127.68639	0.8
128.03444	16.8
131.03427	1.9
143.03424	5.9
143.04385	1.4
146.04485	3.4
150.06747	9.6
158.11723	1.0
161.04480	9.8
163.07585	1.3
164.08365	3.2
165.12759	1.7
179.05489	3.5
179.10693	8.1
209.11842	5.3
226.64835	1.2
227.12883	2.8
312.18314	1.6
321.08600	1.2
389.77756	1.0
445.82535	0.9
465.28381	4.0
466.28882	1.7
483.29291	1.7
493.35004	1.0
591.31403	1.4
609.32727	11.8
610.32874	2.9
627.33868	38.0
628.34235	7.3
644.36627	3.0
645.34949	12.9
646.34814	2.6
655.23535	2.6
655.40570	17.6
656.40814	2.9
669.35028	10.3
670.35199	2.4
687.35962	14.9
688.36163	3.9
730.83771	1.1
755.39874	1.2
773.40826	29.2
774.41156	7.6
817.34924	3.0
817.47754	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	817.384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.93491	1.2
61.98702	10.9
64.84626	0.9
66.20422	0.9
69.03321	2.2
71.01241	4.3
73.02791	1.2
76.36026	0.8
80.96385	0.9
89.02357	1.8
95.01260	1.8
96.99207	2.7
97.02825	4.9
99.38270	0.8
101.02320	2.8
121.03701	0.9
139.00238	1.9
141.01617	63.4
142.01938	1.3
142.05025	2.0
161.95428	0.9
200.31023	0.9
219.02049	0.9
277.21619	6.1
359.21945	5.4
397.13522	14.9
398.13589	1.6
415.14603	2.6
419.11584	2.9
428.94583	1.0
437.12701	4.4
675.36847	1.4
816.49921	7.6
817.50769	18.5
821.99927	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	817.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	1.1
59.01250	100.0
61.98696	3.0
68.99691	1.0
69.03320	2.6
71.01254	51.9
71.49802	2.0
72.99180	2.3
73.02818	52.9
74.03136	1.7
75.00719	1.9
83.01256	19.8
85.02814	6.5
87.00753	4.1
88.98678	1.4
89.02310	9.2
95.01261	2.2
99.00797	1.2
101.02322	54.3
102.23421	0.9
108.02051	1.6
109.02863	1.8
112.63847	0.9
113.02335	21.4
117.03370	1.8
119.03388	5.7
121.02783	2.9
121.95313	1.1
122.06026	1.5
123.04385	2.4
125.02322	2.8
127.04993	1.9
128.03442	2.5
131.03360	5.0
133.02827	3.2
134.03618	2.3
135.04416	1.6
136.01535	2.5
137.02322	4.8
139.03883	1.2
140.34277	1.3
143.03371	4.2
145.02863	9.8
145.06090	1.9
146.03618	2.1
147.04410	2.4
149.02312	3.2
149.04430	6.4
150.03143	2.3
151.00275	9.1
151.03917	5.4
161.02409	8.0
161.04477	12.9
161.05795	1.4
161.18307	1.0
162.03134	78.6
163.03461	4.4
164.04652	1.5
165.01831	2.2
166.02640	27.6
167.03174	1.5
175.00192	1.3
175.03952	3.4
177.01959	9.1
177.05486	60.1
178.05838	2.1
181.04976	22.8
190.02663	2.5
191.03467	2.1
191.05417	1.6
192.04227	5.1
195.06554	4.4
205.04961	2.5
207.06564	4.7
219.06339	1.3
221.06560	2.0
223.06122	2.5
339.11234	1.5
358.87909	1.1
387.10736	3.5
387.14679	3.1
402.13062	2.1
417.15540	15.0
541.52637	1.2
577.20825	18.6
578.21100	3.4
641.25983	2.4
773.42657	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	815.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.5
59.93424	0.4
61.98697	1.7
63.02273	1.6
64.38455	0.5
65.00193	1.1
71.01260	1.5
71.49299	0.6
72.59779	0.4
81.19285	0.5
81.41489	0.4
83.01245	2.1
86.81866	0.4
88.18002	0.5
89.02307	0.7
96.95911	1.0
101.02325	0.9
107.01253	4.2
108.02043	0.7
111.00758	0.6
113.02349	0.5
116.92726	0.8
117.03415	0.5
123.00737	0.5
124.01537	1.0
132.02061	2.5
133.02818	0.4
134.03654	3.0
148.01567	1.4
148.03955	0.5
149.02327	0.6
149.05997	0.5
149.99466	0.6
150.99149	0.7
151.00285	8.1
152.00899	0.6
160.01590	9.2
161.02322	1.0
163.00261	0.7
164.01064	1.4
169.01332	1.1
175.03923	9.0
190.02617	0.4
193.04997	5.3
199.03886	0.5
200.04861	0.6
208.07054	0.4
209.47134	0.4
216.04305	0.6
227.03410	1.3
243.02995	0.8
244.03511	0.5
255.02934	1.7
271.02466	2.5
272.03140	1.0
283.02438	1.4
299.01865	1.1
300.02744	43.7
301.03122	3.2
313.03210	0.6
315.05112	100.0
316.05487	7.9
319.64825	0.4
374.20767	0.4
397.11569	0.7
499.14615	8.5
500.14865	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	815.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.8
61.98719	2.9
63.71922	2.1
69.55059	13.7
71.01250	3.9
75.16710	2.3
78.95773	8.8
81.75706	2.3
89.02326	2.5
101.02312	3.3
113.02342	2.7
163.11237	2.6
171.10187	3.5
209.11790	100.0
209.13803	5.6
210.12129	5.8
227.12866	9.1
235.08159	3.5
241.01016	3.7
253.09283	10.1
255.23286	5.3
259.15448	15.4
277.21738	94.8
278.22046	4.7
433.35031	3.0
462.36096	2.8
725.38904	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	815.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79088	1.5
59.01255	4.4
63.96088	2.2
71.01254	6.0
71.29259	2.8
73.02806	2.1
78.98463	5.4
79.95612	13.0
80.96393	77.2
85.02816	3.7
87.00764	5.7
90.30407	1.7
94.97954	14.7
97.02866	2.0
101.02306	1.8
104.09506	1.7
106.97945	2.9
112.05733	1.6
113.76018	1.7
120.34314	1.9
122.97507	3.7
125.02283	3.6
134.97461	3.4
142.73740	1.8
148.99040	4.9
152.98500	4.0
156.14603	1.8
164.98563	9.5
206.99626	2.5
225.00684	15.5
255.23181	2.5
466.38858	1.8
503.81042	1.8
559.25879	2.1
676.86804	2.2
815.49823	100.0
816.50452	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
70.98421	0.4
71.01247	0.3
72.74575	0.2
78.95774	5.2
80.02541	0.2
90.98589	0.2
95.04913	0.4
97.06456	0.6
109.06446	0.2
119.04879	0.3
125.05960	0.4
141.09030	0.2
148.08820	1.0
150.10445	1.1
151.11131	0.5
152.99467	1.8
160.61542	0.2
163.11180	1.0
165.12761	21.6
166.13060	1.2
168.04236	1.4
175.11189	0.6
176.11928	0.3
177.12733	0.5
179.14371	0.2
187.25027	0.2
191.14323	0.8
202.09932	0.3
217.15898	0.5
224.06850	0.6
233.22638	0.3
242.07945	2.4
247.20648	11.4
248.20949	0.7
252.86562	0.2
259.20636	0.2
273.18604	5.6
274.19040	0.6
275.20020	0.3
277.21710	67.0
278.19009	0.3
278.22049	5.2
284.58109	0.2
291.19650	100.0
292.19986	7.7
437.42801	0.2
502.29401	30.0
503.29697	4.0
749.43414	0.4
808.50360	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	809.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.2
61.98706	4.4
69.32242	2.2
69.32658	4.3
71.01237	1.5
84.30004	0.6
93.03340	5.4
95.01310	1.3
95.04921	0.9
96.95882	1.9
98.20522	1.1
101.02323	1.2
107.56492	0.7
108.02134	0.8
109.02877	1.2
116.92744	2.2
121.02837	7.6
122.03626	14.6
124.01556	0.8
132.02046	0.8
133.02847	1.8
134.03658	3.0
135.04437	0.8
136.01570	5.9
137.02359	6.1
139.03889	0.7
146.03662	2.3
149.01314	0.8
149.02344	32.3
149.05942	3.5
150.03127	100.0
151.00298	2.1
151.03920	18.1
152.00984	0.7
152.04645	1.0
161.02364	1.1
161.06004	1.0
162.03160	1.5
164.04678	6.8
165.05481	94.0
166.02658	5.0
166.05811	3.1
167.03252	1.1
176.04646	0.8
177.05502	2.3
179.03387	0.9
179.07066	8.4
179.75551	0.8
180.04138	5.7
181.04977	8.6
187.03880	0.9
193.04994	1.0
195.06554	51.2
196.06929	2.2
205.05026	2.7
209.11594	0.8
219.06514	1.6
220.07407	0.9
240.31848	0.7
372.12347	1.1
387.14517	2.5
403.14014	1.0
417.15472	7.5
418.15799	1.2
428.03021	0.7
535.16254	0.8
564.19763	2.3
565.20648	23.1
566.21051	2.6
595.21802	2.7
613.22821	4.4
619.21826	1.0
713.26074	9.1
714.26093	2.0
743.27350	4.7
761.27771	2.4
762.28314	1.0
809.30182	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	805.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.0
59.01248	25.5
61.98680	1.7
63.83870	0.9
70.97559	1.9
71.01257	17.3
72.99187	1.9
78.95766	0.9
83.01233	1.6
85.02808	3.6
87.00735	1.8
89.02312	10.9
94.06452	1.5
95.01262	1.4
96.95871	2.5
101.02318	8.1
106.06532	4.5
107.03663	1.7
113.02319	4.3
119.03360	4.3
120.08073	9.8
122.05996	13.6
132.04483	1.6
134.06010	22.8
143.14012	0.9
150.05573	1.5
151.03891	1.0
152.07103	6.0
160.03961	1.4
168.02690	0.9
190.05005	3.7
192.06450	1.2
223.08705	3.3
224.09546	1.2
225.10170	0.9
236.09393	1.0
237.10266	2.7
238.11072	1.7
239.11815	6.3
241.13293	1.4
249.06590	2.6
249.10260	2.2
250.10866	1.2
251.08215	2.7
251.11864	5.7
263.08264	5.1
264.09015	7.4
265.09805	7.4
271.10913	1.3
277.09689	5.7
278.10550	2.0
279.11362	17.4
280.12070	3.9
281.13046	2.3
285.12469	1.1
290.90323	0.9
291.11310	3.9
292.12119	4.5
293.09570	1.0
293.12897	2.6
305.09375	2.1
307.10751	1.3
323.10233	2.1
324.11057	2.7
325.11938	1.3
326.12747	1.2
337.11893	2.1
338.12369	1.0
356.17752	1.2
358.19067	1.0
360.17407	0.9
370.15573	1.7
372.17068	1.3
384.17218	2.2
386.18872	2.1
398.14972	1.1
399.19357	1.0
401.21060	1.2
402.18179	0.9
404.87900	1.0
412.16663	1.2
426.18307	2.0
430.17969	1.0
440.16824	1.1
444.19119	3.3
445.19754	1.4
454.17606	1.5
462.20126	1.8
471.18051	2.1
472.18719	2.3
473.19641	2.1
490.19992	4.9
535.94238	1.0
606.23761	1.4
610.24097	1.3
625.22705	1.9
633.23230	1.6
650.23773	4.1
651.24207	11.6
652.24481	1.9
682.26050	5.0
683.26215	2.2
745.30811	1.4
773.30328	100.0
774.30621	20.4
786.87274	0.9
805.32971	40.4
806.33630	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	805.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00446	0.8
59.01248	26.5
69.43993	1.6
69.44409	2.1
71.01250	16.7
72.99158	1.8
73.02805	1.0
79.26323	0.5
80.04933	0.8
83.01241	1.4
85.02807	4.7
87.00745	1.7
88.90062	0.5
89.02313	14.1
94.06501	0.9
95.01242	1.2
96.95846	1.0
99.00765	0.8
101.02328	8.8
106.06504	4.1
107.03631	2.1
113.02326	5.7
113.57999	0.5
119.03389	4.2
120.08078	11.0
121.05285	0.6
122.05138	0.9
122.06002	18.0
132.04411	1.3
134.06007	24.6
135.06325	1.1
136.07541	1.7
143.03333	0.6
150.05478	1.0
152.07068	6.3
160.03914	1.1
161.04451	0.9
162.05505	0.6
164.07080	0.7
172.07574	0.8
172.52487	0.5
174.05463	0.8
177.79298	0.5
179.05586	0.7
190.05031	3.4
192.06485	0.8
194.08112	0.8
197.10757	0.7
211.12283	0.9
221.10738	1.3
223.08707	4.6
223.12343	0.8
224.09453	2.0
225.10164	1.6
226.10997	0.5
227.11868	0.6
230.85306	0.5
235.08603	0.8
235.12302	1.4
236.09456	1.8
237.08241	0.7
237.10306	5.4
237.14110	0.6
238.10989	2.1
239.11783	5.8
241.13440	1.3
248.09662	0.6
249.06741	2.0
249.10219	2.5
250.07265	1.0
250.10820	0.7
251.08214	2.9
251.11870	7.3
252.12473	1.0
253.13341	1.3
261.10321	1.2
262.07422	0.8
263.08203	3.6
263.11893	1.6
264.09021	10.7
264.12216	0.9
265.09775	7.2
265.13089	1.0
266.10126	1.0
267.11267	0.8
271.10944	1.0
276.09012	1.0
277.09811	6.6
278.07681	0.6
278.10379	2.9
279.11374	24.3
280.12006	4.1
281.12885	3.0
285.12436	1.3
291.11395	7.2
292.11990	4.3
293.12869	2.7
305.09305	2.0
307.10892	1.6
310.09280	0.6
311.10461	0.6
314.12326	2.7
323.10178	3.5
324.11142	3.5
325.11981	1.1
326.12817	0.8
337.11850	2.0
342.16315	0.6
348.11639	0.6
358.15363	0.7
358.19250	1.6
360.17160	1.2
369.14801	1.1
370.15521	1.7
371.16071	1.3
372.17209	0.9
384.17053	2.4
385.17780	1.5
386.18600	2.1
398.14502	1.2
398.19101	1.1
399.19595	0.9
400.16318	1.1
401.21579	0.7
402.18066	2.0
414.18060	1.4
418.21051	1.0
426.18564	2.4
428.15665	1.0
430.17795	1.7
431.17847	0.8
433.19901	1.0
443.18405	0.9
444.19250	3.0
445.19907	0.8
446.16644	0.7
453.17032	0.7
454.17810	0.8
459.17899	0.9
460.18958	1.1
461.20029	0.7
462.20279	1.9
471.17905	1.1
472.18439	3.1
473.19516	2.0
490.19934	5.7
491.20197	0.7
532.20935	1.0
564.23499	2.1
593.23895	1.2
606.24573	2.9
607.25427	1.0
610.24115	2.8
622.24139	0.6
623.25092	1.0
650.23663	11.1
651.24176	14.2
652.24945	1.5
669.25208	0.8
682.26111	14.7
683.26245	3.2
727.28845	0.6
729.31830	2.0
745.30994	1.7
755.29895	0.8
773.30334	100.0
774.30524	21.0
805.32990	53.9
806.33289	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	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
59.01249	1.8
61.98707	0.3
69.03320	0.2
71.01251	0.6
78.95777	0.8
78.98504	0.2
79.95622	0.6
80.96386	3.5
81.21989	0.2
82.08849	0.2
83.04892	0.7
89.02277	0.3
93.03348	0.3
94.97958	0.6
95.04876	0.6
101.02301	0.3
109.06481	0.3
111.07297	0.5
111.08041	8.0
113.09577	0.4
116.92783	0.3
121.02846	0.6
134.97479	0.3
137.09644	0.6
148.99007	0.5
149.09564	0.5
164.98564	0.6
165.12697	0.5
167.10684	1.6
169.12128	0.3
177.12744	1.6
179.09392	0.3
179.10646	1.6
195.13838	4.6
196.14209	0.4
203.14339	0.6
219.17361	0.3
225.00693	1.0
237.37032	0.2
247.20639	2.4
253.09207	1.0
273.18558	1.3
277.21701	5.9
278.22061	0.6
291.19647	100.0
292.20001	8.4
323.65735	0.2
403.01617	0.2
419.08032	0.3
799.86017	0.3
805.40332	4.7
806.40430	1.2
826.93964	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	803.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
58.00454	0.8
59.01250	100.0
60.01582	1.0
61.98705	0.4
69.03329	0.5
70.64481	0.4
70.64823	0.7
71.01252	18.4
71.51092	0.3
72.99181	0.9
73.02816	19.4
75.00751	0.4
81.03342	0.4
83.01260	6.8
83.01724	0.5
85.02817	2.2
87.00764	0.5
89.02320	7.1
89.02847	0.5
95.01272	1.1
96.95895	0.5
97.95882	0.3
101.02321	21.6
102.02657	0.5
113.02334	8.9
119.03379	3.0
121.02866	1.0
125.02366	0.9
131.03389	2.2
143.03409	3.1
149.04465	4.8
154.84952	0.3
155.03427	0.9
161.04451	7.7
162.65463	0.3
179.05565	1.0
203.05618	0.9
209.11760	0.3
215.17409	0.3
221.06592	1.5
357.19440	0.4
401.09012	0.9
641.42816	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	805.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.6
58.00468	5.6
59.01249	100.0
60.01577	0.9
61.98683	1.2
69.74876	0.8
70.98460	1.6
71.01251	76.6
72.01605	1.2
72.99180	7.2
73.02807	1.9
83.01249	2.3
85.02825	13.0
87.00739	7.0
89.02316	92.6
90.02650	1.2
95.01267	4.8
96.95894	10.4
98.19930	0.9
100.24471	0.8
101.02321	37.4
104.80499	0.7
109.02838	1.6
113.02328	29.0
113.57191	0.8
119.03387	42.2
121.02821	1.4
123.00690	1.9
123.04395	0.8
125.02297	1.9
131.03357	4.9
137.02353	4.9
138.03128	0.8
143.03397	7.5
147.04410	1.0
149.02345	8.4
149.04436	3.5
151.00267	13.8
151.03897	2.1
152.00810	1.0
152.04634	1.4
160.01564	1.7
161.02342	1.4
161.04453	6.2
165.01796	2.1
166.02620	33.9
167.02991	3.2
175.03926	6.8
176.01036	1.7
177.01852	46.3
178.02248	2.2
179.03291	1.2
179.03761	1.2
179.05521	18.1
180.04198	1.5
181.04982	36.0
182.05273	1.7
191.03389	3.3
192.04199	31.2
193.04688	3.4
195.02899	2.4
195.06514	1.0
203.03439	1.0
205.04900	2.0
207.06581	26.7
208.06921	1.6
210.05186	1.5
220.07352	1.1
225.07617	4.3
322.68723	0.9
387.10165	3.7
402.13135	2.8
416.14752	4.1
417.15439	13.7
418.15652	1.8
431.17108	1.0
444.06360	0.8
534.87537	0.8
607.21851	18.3
608.22113	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	805.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.4
61.98703	1.3
63.17673	0.5
67.01745	1.3
69.56696	2.3
69.57105	1.4
71.01248	1.5
75.00798	0.5
82.87416	0.5
83.81411	0.5
85.02833	0.9
88.98692	0.8
96.95884	9.3
98.20531	1.3
101.02325	0.6
107.04935	0.6
109.02828	4.0
111.00771	0.6
113.02336	0.5
121.02853	0.9
123.00766	1.1
123.04395	1.2
124.01524	1.1
125.02368	1.1
134.03633	0.8
135.04401	1.6
136.01541	2.3
137.02348	25.5
138.02666	1.0
139.03876	1.2
149.02336	1.6
149.05971	0.8
150.03125	2.3
151.00284	11.3
151.03906	4.4
152.01024	2.4
152.04674	2.2
153.01868	0.5
158.03568	0.5
159.04466	0.5
160.01607	0.5
161.02345	1.5
162.03105	0.6
163.03911	1.1
164.01062	2.3
164.04848	0.7
165.01842	100.0
165.05487	4.1
166.02623	32.6
167.03389	3.6
175.03940	2.0
176.01137	0.6
177.01877	2.6
177.05481	1.8
178.02661	1.1
179.03406	21.7
179.07053	0.9
180.04195	58.0
181.04971	41.8
182.05379	1.7
184.03731	1.4
187.03966	2.3
190.02702	0.9
190.06305	0.9
191.03384	1.1
192.04216	2.0
193.04991	2.5
194.05734	3.5
195.02994	2.6
195.06554	74.7
196.06924	4.2
204.04297	0.8
205.05014	5.0
205.08708	1.0
207.06569	1.6
210.05276	11.8
211.05814	0.6
220.07286	2.6
221.07967	0.8
224.42818	0.5
225.07629	62.2
226.07942	2.7
293.13101	0.6
339.08569	0.9
345.09793	0.8
359.11270	1.6
371.11334	1.3
372.12100	1.4
385.12674	0.7
386.13831	0.7
387.10211	6.1
387.15332	5.0
402.13181	4.0
403.13858	2.6
416.14862	3.0
417.15524	50.9
418.15897	6.0
461.95853	0.6
565.17645	2.5
580.19427	1.8
595.21814	51.6
596.22125	7.9
613.23346	1.0
643.23920	23.6
644.24200	5.1
723.01917	0.7
795.41193	0.6
805.31055	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	803.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
58.00478	0.3
59.01250	100.0
60.01588	1.0
61.61354	0.3
62.36714	0.3
70.98421	0.7
71.01251	11.2
72.01601	0.3
73.02814	2.9
80.69836	0.3
83.01283	0.9
85.02818	4.8
85.03285	0.3
87.00730	0.3
89.02313	2.5
89.26023	0.3
95.01290	0.8
96.68084	0.2
99.00748	1.3
101.02317	5.3
101.02924	0.4
106.06551	0.3
113.02336	4.0
114.80312	0.2
115.27921	0.2
119.03400	0.7
122.06030	0.5
127.45448	0.2
132.75667	0.3
134.06027	2.0
143.03395	0.3
143.52412	0.3
150.05441	0.3
152.07149	0.3
159.02922	0.7
160.06477	0.3
161.04462	4.3
172.97569	0.3
182.86682	0.3
195.66031	0.3
213.10294	1.2
239.11963	0.4
241.13503	0.6
251.11943	0.3
285.12350	1.7
291.38220	0.3
296.23511	0.2
315.18106	10.4
316.18570	0.7
345.80066	0.3
357.19186	3.3
358.15640	0.6
358.19528	0.3
370.15778	0.3
384.13437	0.4
398.15219	0.4
400.16876	0.5
412.16702	0.6
424.46716	0.3
577.19745	0.3
727.30170	0.8
771.28772	10.3
772.29095	2.3
803.30969	2.0
804.32416	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	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96936	0.2
61.96113	0.2
61.98701	100.0
62.90116	0.2
71.54855	0.2
78.95786	0.5
80.96388	0.6
98.19843	0.6
107.83257	0.2
140.32738	0.2
143.02191	0.2
182.07349	0.2
182.09023	0.2
209.02988	0.2
229.19331	0.3
277.21652	0.3
455.14764	0.2
544.11993	0.2
803.39270	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	803.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98051	0.8
59.01249	38.9
71.01252	11.2
80.04923	1.2
85.02816	2.8
86.03215	0.8
89.02321	7.8
101.02315	6.1
106.06502	2.5
113.02354	3.8
119.03389	2.2
120.04432	0.8
120.08061	1.0
121.05219	0.8
122.05991	7.3
123.85876	0.8
132.04433	1.3
134.06001	16.4
135.06306	1.2
138.46381	0.8
152.07095	2.5
160.06305	2.6
161.04547	1.2
174.05472	0.9
177.22408	0.8
190.05070	2.5
213.10269	11.8
214.10611	1.0
226.11131	1.3
239.11862	6.6
241.13362	7.4
251.11960	1.6
267.11386	1.9
277.09866	1.1
278.10538	0.8
285.12445	19.2
286.12820	1.3
305.09351	1.0
315.18100	1.4
328.10962	2.0
330.16000	0.8
337.08282	1.2
337.11804	1.8
340.14365	1.1
342.12436	2.0
343.13193	1.8
344.13980	1.4
344.31076	1.1
356.13965	1.9
357.14752	1.5
358.15466	6.2
359.15698	0.8
369.14737	1.3
370.11691	1.5
370.15909	1.8
383.12518	1.2
384.13452	3.6
384.17654	1.6
385.13892	1.0
396.13522	1.3
397.14246	0.9
398.14999	3.1
399.15741	1.4
400.16721	6.3
410.14911	1.4
412.16644	7.6
426.14474	1.8
444.15408	2.2
471.14703	0.9
490.19479	0.9
505.22314	1.0
506.22958	1.2
517.17822	1.1
573.21356	1.2
685.28827	1.9
726.78369	0.9
727.29907	5.1
743.29736	1.6
753.27203	1.2
771.28778	100.0
772.29108	20.7
803.31409	16.8
804.31781	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	801.189
Annotation	Quercetin 3-(2'''-feruloylsophoroside)
Peak:m/z	Relative Intensity
56.89599	0.2
59.01233	0.4
61.15849	0.2
63.02267	0.9
64.37977	0.2
65.00191	3.9
67.22062	0.2
69.03327	5.4
71.01244	0.3
71.49299	0.3
77.20361	0.2
83.01246	2.1
85.02822	0.2
92.64042	0.2
93.03351	0.5
95.01279	0.4
97.02847	1.2
99.00758	1.4
103.65952	0.2
107.00552	0.3
107.01271	5.5
108.02099	0.2
108.99209	0.2
109.02836	1.6
119.01254	0.2
121.02817	2.1
123.00804	0.2
125.02332	0.6
131.01297	0.3
132.02081	1.3
133.02870	0.4
134.03651	1.7
135.00768	0.4
135.04439	0.4
137.02322	0.5
139.03926	0.5
141.01817	0.4
148.01535	0.4
149.02344	1.1
149.06018	0.3
150.05557	0.2
151.00275	18.8
152.00650	0.8
158.03554	0.2
159.04436	0.3
159.74335	0.2
160.01570	4.1
161.02353	1.5
161.04425	0.2
163.00261	0.7
163.03865	0.2
164.01041	0.6
165.01814	0.4
169.01370	1.1
173.02423	0.3
173.05952	0.3
175.00302	1.0
175.03917	2.8
176.04393	0.2
177.01950	0.3
178.02693	0.2
178.99796	4.8
183.04489	0.3
185.00839	3.9
185.05957	0.2
185.60486	0.2
187.03992	0.4
192.00555	0.4
193.01303	0.6
193.04990	1.2
199.03999	0.3
201.05536	0.4
203.03413	0.6
211.03862	0.7
212.04607	0.2
213.01859	0.4
214.02449	0.3
215.03455	0.2
217.05067	0.4
227.03503	1.1
228.04045	0.2
229.05121	0.3
230.01935	0.2
243.02921	0.3
245.04463	0.4
255.03001	1.5
256.03571	0.5
257.04739	0.2
259.02631	0.2
271.02396	1.0
272.02798	0.5
273.04047	0.3
283.02512	0.3
284.03064	0.4
285.04022	0.2
299.01978	0.6
300.02704	3.2
301.03513	100.0
302.03848	7.8
313.03442	0.3
315.05087	0.6
326.53998	0.2
343.04587	0.3
485.13071	1.0
499.14627	0.5
607.12939	3.4
608.13373	0.4
619.03735	0.2
625.14075	24.6
626.14307	3.4
651.15845	0.3
679.14929	0.4
801.18750	5.8
802.18848	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	803.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	32.9
61.98697	9.9
71.01248	20.6
71.49557	2.6
73.02803	2.6
76.76170	1.5
78.95759	1.4
80.04933	2.8
83.01273	2.7
85.02826	5.1
85.17886	1.3
87.00757	1.4
89.02313	11.3
96.95898	5.2
101.02306	12.3
101.70689	1.5
106.06522	5.3
113.02317	6.9
116.92744	2.2
119.03432	3.7
122.06036	12.2
132.04439	2.3
134.06017	37.4
152.07114	7.6
160.06380	2.9
174.05505	2.8
175.94447	1.6
190.04996	2.8
213.10254	17.3
225.10286	2.5
226.10999	2.0
227.11911	2.0
239.11824	14.5
241.13435	9.5
251.11864	3.7
263.08206	1.6
267.11334	2.2
277.09833	2.7
279.11353	2.1
285.12485	26.9
286.12454	2.2
293.12982	4.1
295.10986	1.8
313.12268	1.8
313.89490	1.7
314.12784	2.4
328.10791	4.0
330.16064	1.6
337.11884	2.3
342.12521	2.6
343.13046	3.0
356.13913	3.1
357.14709	3.0
358.15625	13.7
359.15939	2.4
367.09610	1.7
368.10016	2.1
370.11789	3.1
370.15894	2.9
372.17047	2.4
382.15714	2.6
384.13449	6.7
384.17706	2.3
385.14224	1.7
397.14014	2.3
398.14993	2.3
400.16580	16.1
401.17029	2.9
412.16708	5.9
438.14749	2.0
444.15479	1.9
475.17038	2.5
505.22217	2.0
561.78473	1.5
588.34698	2.2
659.30804	2.5
682.26733	1.6
685.28650	3.9
727.29816	18.4
728.30353	5.2
743.29913	2.5
753.26740	2.0
759.32330	2.5
771.28754	100.0
772.28888	26.5
781.86261	1.9
803.31348	45.6
804.32037	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.2
58.00463	1.1
59.01247	100.0
60.84096	1.1
61.98693	3.1
69.17892	4.8
69.18319	7.7
71.01252	33.4
73.02828	7.2
81.15978	1.1
83.01243	2.7
85.02812	14.7
85.03233	1.4
87.00756	2.9
89.02313	12.4
89.44907	1.1
95.01246	3.6
97.02825	2.9
99.00771	2.7
101.02317	13.6
113.01542	1.3
113.02329	27.7
113.42352	1.3
119.03398	5.0
124.01524	4.5
125.02345	6.8
125.43172	1.2
129.01814	1.3
143.03360	4.9
161.04462	7.3
167.79738	1.2
172.18132	1.1
205.44301	1.1
213.84785	1.3
219.63080	1.1
252.46500	1.2
335.37497	1.2
449.29031	2.1
467.29797	1.3
495.79138	1.4
557.31396	2.2
575.32318	2.3
593.33276	14.5
594.33685	3.2
611.34326	51.5
611.44397	2.8
612.34845	7.3
629.35364	19.6
630.35394	3.4
631.50916	1.3
647.36896	1.3
653.35406	5.5
671.36536	8.8
672.37494	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	801.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.7
58.00474	1.2
59.01250	100.0
60.01583	1.0
67.01714	0.4
69.03342	1.0
70.57163	1.2
71.01254	26.9
72.01582	0.5
72.99193	1.6
73.02812	5.5
75.00765	0.7
83.01251	3.8
85.02824	14.4
86.03139	0.5
87.00758	2.3
89.02319	8.4
95.01266	3.5
97.02822	2.2
99.00753	2.0
101.02324	12.1
102.05481	2.1
111.00776	1.6
112.01540	0.8
113.02334	19.1
114.02651	0.6
115.03894	0.7
119.03381	3.4
123.08187	0.4
124.01548	3.9
125.02347	6.8
128.03427	3.2
129.01869	0.5
130.87975	0.3
131.03386	0.4
134.06036	0.5
142.02652	0.4
143.03400	4.1
146.04510	0.5
158.11766	0.4
159.02946	0.7
161.04459	3.5
167.14349	0.8
168.07953	0.4
179.05556	0.8
211.13388	0.6
449.29053	2.6
467.30197	2.2
468.30676	0.5
506.47110	0.4
509.31155	0.8
545.31000	0.5
547.33636	0.5
557.31122	1.6
575.31818	2.1
593.33313	14.2
594.34033	2.5
607.75256	0.4
611.34320	53.9
612.34747	9.2
628.37744	0.9
629.35376	19.1
630.35791	2.9
653.35388	6.5
654.35754	1.2
671.36450	12.7
672.36707	2.7
698.28186	0.4
713.37671	0.6
725.28485	0.8
757.41376	6.8
758.42206	0.9
759.23297	0.4
801.29669	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	797.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.1
59.01251	100.0
61.98703	5.6
68.37119	1.5
69.03330	1.6
69.66029	7.1
71.01250	32.5
72.01605	1.6
72.99178	1.7
73.02829	9.2
75.00742	1.7
78.95776	1.6
81.03307	1.3
82.43089	1.2
83.01251	5.3
85.02823	13.5
85.03265	2.2
87.00757	4.6
87.68711	1.3
88.98679	2.5
89.02293	5.4
89.90418	1.5
95.01258	4.1
96.95879	4.8
97.02830	2.7
98.19823	2.8
99.00746	4.4
100.30122	1.6
101.02327	18.2
111.00760	3.8
112.01578	1.5
113.02336	19.0
115.67954	1.4
119.03379	3.5
124.01559	3.1
125.02331	10.7
143.03378	3.9
161.02379	1.7
161.04431	2.9
174.01637	1.8
209.08481	2.1
335.49884	1.8
345.29889	1.5
407.74042	1.5
445.31689	3.5
463.32520	4.2
571.34308	2.2
589.35883	27.7
589.45215	1.1
590.36530	4.1
607.36975	47.8
608.37408	9.2
625.38165	15.5
626.38049	2.8
633.38019	4.1
649.38110	14.0
650.38226	3.3
651.39191	6.2
667.39154	21.3
668.39404	3.7
693.40198	2.2
711.42236	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	799.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18687	0.7
59.01250	16.1
71.01242	2.3
71.42085	0.9
87.34264	0.6
89.02322	1.3
99.11949	0.6
101.02322	2.2
113.02367	1.2
119.59564	0.6
122.12275	0.5
161.04413	0.9
175.90938	0.6
179.05502	0.8
183.13820	6.6
184.14156	0.8
193.12296	1.7
211.13342	100.0
212.13641	5.0
235.08228	1.6
253.09293	5.1
277.21722	52.2
278.21967	4.8
429.21497	2.0
447.22330	9.6
470.85211	0.6
545.55756	0.7
607.19354	0.8
707.43799	0.8
722.48969	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	795.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01208	0.2
59.93509	0.2
61.98667	0.3
62.29152	0.2
71.18156	0.4
73.02823	2.1
78.15342	0.2
99.00733	0.6
99.92458	10.4
100.92464	0.3
105.52430	0.2
114.93288	0.5
116.92744	100.0
116.97124	1.8
117.01820	5.1
117.92756	5.2
564.30219	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	795.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.9
58.00454	2.1
58.34317	1.0
59.01251	100.0
59.03704	1.1
61.98698	3.7
69.03328	4.4
70.64960	3.0
71.01253	44.5
72.99175	3.4
73.02820	12.2
83.01247	8.4
85.02824	23.1
87.00748	6.3
88.98702	1.6
89.02315	16.1
95.01281	5.6
96.95906	4.2
97.02830	4.2
99.00770	4.6
101.02319	24.1
109.02810	1.2
111.00761	2.8
113.02332	24.6
114.02697	1.5
116.92717	3.1
119.03419	5.4
120.08073	1.0
121.10049	1.8
122.09074	1.0
124.01543	3.3
125.02338	9.6
131.03304	1.2
143.03366	4.1
151.03854	1.1
159.02867	1.6
161.04477	5.8
162.02173	2.2
165.05518	1.2
175.03902	1.2
179.05531	1.4
253.09212	1.3
329.89774	1.1
392.05630	1.1
394.66080	1.1
469.31683	1.9
487.32724	9.0
505.33698	3.9
631.36957	29.8
632.37189	5.3
649.37994	50.3
650.38397	9.2
667.39117	15.1
668.39362	1.7
691.39142	20.8
692.39581	3.5
709.40118	31.5
710.40497	5.1
751.42236	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	795.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.98699	0.4
71.01237	0.2
71.49279	0.2
72.04436	0.1
73.02817	2.7
74.02342	1.3
75.00755	0.4
87.00778	0.1
99.00761	0.5
99.92454	8.1
100.92492	0.4
114.93292	0.4
116.03405	0.9
116.92743	100.0
117.01814	5.3
117.02941	0.6
117.92750	5.5
118.01392	0.2
161.02301	0.2
261.39764	0.1
275.75943	0.1
299.76462	0.1
677.50000	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	797.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	4.2
59.01249	100.0
61.98697	7.4
71.01254	60.3
72.99180	6.6
73.02825	6.1
78.95744	2.8
80.30115	2.6
83.01262	5.2
85.02813	20.7
89.02316	43.7
95.01261	6.6
96.95909	6.0
98.99326	2.7
99.04396	7.8
101.02308	27.7
113.02330	32.4
119.03369	16.4
121.02795	3.9
125.02281	4.4
127.05067	3.3
128.03368	3.4
131.03455	2.6
135.04398	4.3
143.03394	7.4
149.02344	21.0
150.06676	4.6
157.06372	3.2
161.02271	2.5
161.04434	7.9
161.13249	18.7
163.03929	3.0
164.04739	17.5
166.02640	2.8
175.00259	7.9
179.05507	13.1
179.07014	5.7
187.11206	33.5
190.02644	30.4
191.03313	7.4
202.19777	2.3
204.04318	4.9
205.05022	35.8
205.12273	41.7
206.05667	12.1
217.01335	7.4
221.08179	10.2
223.06137	20.8
229.12231	6.8
232.03745	13.1
237.07668	4.3
247.06085	69.3
247.13281	4.5
248.06525	2.7
249.11255	61.2
250.11626	3.0
265.07193	10.7
277.07016	3.4
315.70126	3.0
367.10315	37.2
368.10672	4.9
385.11411	42.3
385.18726	6.2
386.11649	4.8
411.16614	17.1
423.53909	2.5
429.17612	50.6
430.17908	6.2
573.22900	7.1
574.23492	2.9
591.22913	20.3
592.23456	3.7
617.22308	18.0
618.22272	4.5
633.38812	11.9
651.39899	17.6
669.40497	4.1
693.40594	9.3
711.41553	6.4
797.28638	10.7
797.44592	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	791.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
58.04781	1.0
59.01246	5.2
61.98687	3.4
64.07071	0.9
66.34694	1.0
69.03323	3.2
69.23927	10.8
71.01273	4.9
73.02824	1.3
78.95789	6.1
81.03331	20.3
83.01254	2.9
85.02831	2.4
87.00754	1.1
89.02351	1.3
93.19200	1.0
96.96868	1.1
97.02815	1.3
97.06470	3.8
98.20575	2.4
99.93130	1.2
101.02296	2.2
111.00814	1.1
113.02330	2.0
123.08022	2.8
125.09619	25.2
126.10055	1.0
152.99500	1.9
161.04478	1.8
169.08618	1.5
181.05977	1.0
187.09740	2.5
189.12779	1.3
207.13837	3.8
225.14896	21.5
226.15129	1.6
233.11812	12.7
235.08130	3.9
235.62523	1.0
244.92117	1.4
251.12863	31.0
252.13174	2.3
253.09372	3.2
253.14192	1.2
267.02982	1.0
269.13950	1.3
277.21722	100.0
278.22131	9.1
279.23230	1.6
469.21121	5.4
487.21857	4.3
511.40158	1.2
526.57349	1.1
587.39746	1.4
665.66437	1.2
747.43207	22.5
748.43713	5.1
791.50140	1.5
792.44232	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	791.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01661	16.1
60.56878	15.0
61.98695	52.8
69.91958	14.4
70.64698	33.7
70.65026	30.4
78.95787	100.0
104.88134	14.3
203.17781	15.0
209.11783	61.8
219.89067	15.2
226.08495	16.1
227.12851	21.0
277.21698	81.2
298.08649	14.3
388.46835	17.2
630.25293	21.5
776.59161	16.6
791.47101	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	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.3
60.84828	0.1
61.98687	0.3
71.01251	0.2
71.50230	0.2
72.01908	0.1
73.02820	3.3
73.20348	0.1
75.00740	0.4
78.95772	0.1
80.08944	0.1
87.00757	0.1
89.02338	0.1
99.00735	0.6
99.92463	9.8
100.92461	0.3
114.93292	0.4
115.00247	0.1
116.03434	0.2
116.92748	100.0
116.97105	2.2
117.01819	6.3
117.05457	0.2
117.92753	4.3
120.52895	0.1
158.32320	0.1
224.27026	0.1
397.13583	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	789.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00447	1.6
59.01249	28.2
61.98696	3.4
69.03326	1.0
71.01248	15.3
71.49709	1.1
72.99191	2.3
73.02809	1.7
76.73949	1.0
78.95763	2.2
83.01251	1.4
85.02824	5.5
87.00743	1.8
88.98682	1.3
89.02314	22.3
95.01264	2.4
96.95911	4.7
101.02331	10.9
108.02055	1.3
109.02851	2.4
113.02319	8.3
116.92742	3.6
119.03374	9.8
121.91714	1.1
123.00730	2.9
124.01564	2.3
129.69832	1.0
131.03406	1.2
133.02878	1.3
134.03639	1.0
137.02344	9.0
139.00208	1.0
139.03873	2.6
143.03365	2.5
149.02345	2.6
149.04407	1.5
149.05899	1.1
150.03104	1.9
151.00282	24.0
151.03914	3.3
151.07533	1.5
152.01019	2.8
152.04692	2.7
161.02376	1.0
161.04456	3.7
162.77072	0.9
163.03941	2.0
164.04646	1.3
165.01820	2.1
165.05486	1.7
166.02625	73.5
167.03249	4.9
168.04140	1.2
175.03889	2.6
176.04590	0.9
177.01872	5.7
177.05463	1.4
179.03462	1.4
179.05510	7.7
179.06998	1.8
181.04985	90.7
182.05330	5.4
189.05447	1.5
190.06259	1.4
190.13109	0.9
191.03479	4.6
192.04201	1.9
193.04959	1.8
205.04974	3.5
206.05783	3.4
207.06509	3.0
209.08220	1.0
219.06488	1.2
220.07275	3.1
221.08116	4.0
300.02835	1.6
301.03506	7.9
312.06442	1.2
339.08740	1.8
357.09937	1.3
359.11295	1.8
371.13416	2.8
372.12079	3.0
387.10706	14.7
387.14526	14.2
388.11047	3.1
399.14413	4.5
402.13138	11.2
403.13333	1.8
417.15515	100.0
418.15866	13.8
431.17038	1.9
597.23376	5.8
627.24603	28.1
628.24847	5.3
685.37909	1.2
743.38373	1.3
789.29858	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	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26094	0.1
59.01248	0.5
60.39122	0.1
61.98702	0.3
67.79386	0.1
71.01250	0.1
71.29442	0.2
72.85543	0.1
73.02816	3.6
74.15579	0.1
75.00761	0.5
75.01106	0.1
78.95779	0.2
79.95582	0.1
80.96387	0.3
87.00767	0.1
89.02295	0.1
94.97968	0.1
99.00745	0.8
99.92455	9.5
100.92456	0.5
114.92583	0.1
114.93301	0.6
115.00286	0.1
115.80480	0.1
116.03432	0.1
116.92742	100.0
116.97088	1.4
117.01813	6.0
117.05444	0.2
117.92746	4.7
120.85654	0.1
124.69923	0.1
141.01617	0.2
165.41725	0.1
202.39377	0.1
234.45018	0.1
277.21777	0.1
335.17709	0.1
397.13144	0.1
455.05563	0.1
793.50763	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	785.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07578	0.6
59.01248	4.8
61.98690	2.4
69.43141	0.7
71.01258	3.6
71.45076	0.6
71.45404	1.1
78.95773	1.1
85.02814	1.7
89.02309	1.8
96.95910	1.0
101.02280	1.2
108.02063	2.5
109.02824	7.1
113.02331	1.5
123.04395	1.5
150.03033	1.0
151.03838	0.7
158.03606	1.2
159.04439	7.6
160.01567	1.2
161.02356	0.9
164.07121	0.9
173.05988	2.4
175.03946	1.7
179.14311	0.7
193.04965	1.0
202.05083	1.8
214.05043	9.8
216.06557	1.4
237.05475	0.9
238.06276	0.9
239.07086	1.0
249.05486	1.5
250.06190	0.9
251.06879	0.8
264.07916	1.3
265.05072	1.7
265.62872	0.7
266.05786	3.5
267.03949	1.0
267.06647	11.7
268.07227	4.3
278.08353	0.7
280.07138	0.9
281.08200	7.3
282.08954	6.9
283.09705	13.9
284.10193	0.9
285.04135	3.8
295.09686	1.3
297.11319	4.3
302.11816	0.7
310.07294	0.8
321.06296	0.8
321.09863	1.0
322.07159	3.6
322.10791	4.3
324.08615	0.9
326.10388	2.4
335.11734	0.9
336.08658	2.2
336.12363	9.2
337.12695	1.4
350.13968	1.9
398.61224	0.7
398.88364	0.7
414.13031	0.8
429.12033	2.8
430.12830	2.4
443.13684	4.6
444.14447	17.4
445.15128	8.5
446.15518	1.2
447.18686	0.9
458.16193	5.6
459.16388	1.4
460.17773	23.2
461.18103	3.1
579.33502	2.0
623.23914	100.0
624.24188	17.7
681.36810	1.3
785.28375	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	787.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78711	0.8
55.01769	1.3
57.87072	0.7
58.00447	1.8
59.01249	100.0
60.01567	0.9
61.98705	5.9
69.03313	2.2
71.01251	57.7
71.49358	1.1
72.99174	4.3
73.02815	57.1
74.02355	1.0
74.03152	1.2
75.00727	1.7
78.95800	1.0
78.98480	1.2
79.95597	1.9
80.95991	0.8
80.96385	5.7
81.03345	1.6
83.01255	17.4
85.02815	8.1
87.00744	3.0
88.98643	0.9
89.02318	12.1
93.03325	2.1
94.97959	1.3
95.01256	2.7
96.95876	2.3
97.02837	1.7
99.00755	2.0
99.04350	0.8
99.92473	2.2
101.02321	59.2
102.02628	1.3
108.02037	1.0
109.02829	1.5
113.02325	23.8
114.02668	0.8
116.92738	23.9
117.01810	2.3
117.03316	2.6
117.92780	0.8
119.03397	7.1
119.04872	1.1
121.02829	3.4
122.03596	1.2
123.00739	1.2
124.01555	1.0
125.02322	3.5
128.03365	1.0
131.03378	5.9
132.02055	2.0
133.02840	2.4
134.03633	6.2
135.04456	2.0
136.01559	13.6
136.05258	0.9
137.02367	1.4
137.05936	1.1
139.00307	0.8
139.03882	3.3
143.03435	6.4
145.02866	8.5
146.02371	0.8
146.03525	2.0
147.04414	2.2
149.02362	2.8
149.04448	7.5
149.05608	1.1
149.05974	1.0
150.03078	3.4
151.00240	5.7
151.03900	13.2
155.03366	1.9
160.01563	7.8
161.02412	8.9
161.04443	15.8
161.05869	1.8
162.03131	74.0
163.03636	3.2
163.07495	1.1
164.04727	1.9
165.01784	1.3
165.05463	3.7
166.02629	15.0
172.05132	0.8
175.00250	2.3
175.02507	1.3
175.03902	12.5
176.04456	1.3
177.05481	64.0
178.02583	1.7
178.05774	2.5
179.05499	1.2
180.04170	1.6
181.04977	33.6
182.05330	2.1
184.18588	0.7
189.05473	0.8
190.02602	6.2
190.06300	1.1
191.03386	1.0
191.05475	0.8
193.04977	7.9
195.06516	4.1
203.05464	1.1
204.04233	0.9
205.04956	6.9
207.06404	0.9
208.03674	1.2
209.11769	1.0
219.06577	2.7
221.06554	1.9
222.62146	0.8
223.06070	6.0
225.00682	1.9
247.06129	1.2
287.09247	10.2
339.10846	2.9
357.09406	1.1
357.13568	1.4
367.10321	2.3
372.11993	1.6
387.14444	13.5
388.14917	2.2
499.14551	16.9
500.15085	1.9
547.19714	10.8
548.20422	1.4
628.02100	0.8
695.38477	1.3
787.34241	7.0
788.35059	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	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91092	1.2
59.01245	15.2
63.41488	0.9
71.01258	4.5
71.30704	1.5
78.95782	5.1
80.96381	3.4
85.02808	1.3
87.00747	1.1
89.02317	1.5
90.85012	1.0
97.02843	7.1
99.00751	9.3
101.02329	3.0
109.06472	1.2
110.03578	1.1
113.02349	1.6
125.09617	3.5
136.05199	1.1
142.02594	1.5
144.55449	1.0
150.38777	0.8
152.99510	1.8
161.04552	0.9
163.11227	7.7
178.05171	0.9
181.12259	15.3
185.57820	0.9
186.01472	0.9
202.81311	1.2
207.10205	44.8
208.10539	1.8
213.16150	1.1
225.11275	100.0
226.11650	6.6
235.08199	1.6
243.12361	11.1
249.41165	1.3
253.09268	3.2
277.21713	79.9
278.22079	8.6
281.24896	1.3
295.16129	0.9
318.77652	1.0
318.81717	1.0
390.76910	1.0
419.45572	1.2
443.19193	4.1
461.20282	42.2
462.20517	3.6
542.40491	1.2
721.41675	25.2
722.42548	6.3
781.41907	3.1
808.68701	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	783.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59594	1.2
59.01249	14.8
61.98697	11.9
70.00275	4.4
70.00690	2.6
71.01254	9.1
73.02811	2.9
78.95768	4.7
78.98456	3.8
79.95617	7.6
80.95919	2.7
80.96394	55.0
81.03317	1.4
83.04896	2.5
85.02798	4.5
87.00766	3.3
89.02312	2.2
94.97971	11.7
101.02307	4.0
106.97968	2.4
113.02325	3.1
122.97430	1.6
125.02274	3.2
127.03848	1.7
134.97441	3.9
136.99023	1.7
137.87723	1.3
148.99037	4.0
152.98520	4.0
161.04404	2.0
163.11166	2.9
164.98547	10.4
183.01064	1.4
200.53111	1.3
206.99518	2.2
209.11783	79.2
210.12010	4.0
217.02475	2.0
225.00737	18.6
227.12872	8.7
235.08134	5.9
253.09392	9.8
255.23167	1.7
277.21725	100.0
278.22189	9.9
311.20145	1.5
426.98239	1.4
445.20547	2.0
688.07556	1.6
739.39398	3.1
783.41962	62.1
784.42169	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	785.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41335	0.6
59.01238	0.7
61.82471	0.6
61.98694	1.4
64.28025	0.6
67.17090	0.6
105.91430	0.6
106.65541	0.5
108.90076	2.3
117.20712	0.5
121.02840	100.0
122.03179	3.2
146.96532	0.5
165.01837	2.7
172.72653	0.6
181.06490	2.1
191.03427	2.7
209.04485	68.8
210.04829	4.4
225.05566	2.2
278.41354	0.6
313.07166	4.4
357.06274	1.1
401.08780	10.9
402.08813	1.0
424.27063	0.7
551.96747	0.7
634.18610	0.7
700.27991	0.7
719.99261	0.8
785.16992	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	779.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.9
57.03316	1.5
58.00472	1.0
59.01249	100.0
60.01582	0.9
61.98703	1.5
63.54162	0.4
69.03329	1.2
71.01250	32.4
71.49342	0.4
71.49809	0.6
72.99190	1.7
73.02822	9.5
73.13345	0.4
74.16066	0.4
80.08603	0.4
81.03284	0.4
83.01253	3.7
85.02821	13.1
87.00749	2.8
88.98699	0.7
89.02316	15.1
95.01274	4.4
96.95287	0.4
96.95887	1.2
97.02856	1.3
99.00770	1.6
101.02319	16.0
101.58365	0.4
105.31706	0.5
111.00785	0.9
111.16817	0.4
112.01558	0.6
113.02328	28.6
114.02655	0.8
119.03380	4.3
124.01562	2.5
125.02330	5.2
131.03429	1.3
142.02647	0.4
142.44626	0.4
143.03398	3.5
149.04518	0.9
161.04456	7.6
171.10262	0.6
174.01764	0.4
179.05580	2.3
185.15456	0.5
203.05586	0.6
209.11847	0.4
231.38417	0.5
471.33347	7.3
471.39603	0.8
472.33731	0.5
489.34576	0.8
513.34576	0.8
579.35486	0.8
597.36664	1.3
615.37451	15.7
616.37744	2.7
633.38495	34.3
634.38898	6.0
651.39539	9.5
652.40216	1.8
675.39569	15.1
676.39667	2.4
693.40631	19.1
694.40704	4.2
735.41742	3.5
779.40594	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	781.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09420	0.2
59.01248	2.9
59.31638	0.3
61.98683	0.3
65.22118	0.2
72.98781	0.5
72.99178	7.5
75.00747	4.8
75.73567	0.3
87.00748	1.0
98.19740	0.5
101.02290	0.4
103.00262	2.6
103.03872	1.5
104.00550	0.3
104.03439	1.4
104.04086	0.3
105.01815	100.0
106.02162	1.4
124.34717	0.3
147.30322	0.3
156.79941	0.3
157.62787	0.2
176.36514	0.3
188.36537	0.3
197.34064	0.3
220.93678	0.3
229.84348	0.4
363.46783	0.3
397.13879	0.3
400.13431	0.3
433.96454	0.3
564.15173	0.3
758.40887	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	781.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03317	0.5
59.01250	11.7
61.98684	0.7
65.22317	0.4
71.01260	3.4
71.46028	0.9
73.02818	0.9
78.95773	3.4
78.98416	0.5
80.96386	1.9
85.02826	1.3
87.00746	0.8
89.02308	1.6
93.47959	0.5
94.97970	0.6
97.02813	3.8
97.06480	0.7
99.00759	6.7
101.02332	2.8
109.06465	0.5
110.03594	0.8
111.04412	0.5
113.02336	1.7
125.02304	0.5
125.09602	2.3
139.99069	0.4
142.02591	1.2
152.99554	0.6
161.04453	1.3
162.87666	0.5
163.11165	3.9
163.67505	0.5
181.12279	8.1
199.13499	0.5
207.10204	24.4
208.10577	1.2
225.00719	0.9
225.11269	52.8
226.11606	3.0
235.08128	2.7
243.12331	5.4
253.09241	3.0
277.21713	100.0
278.15509	0.5
278.22058	8.3
443.19305	5.9
461.20346	6.3
462.20740	1.3
513.30829	0.7
577.37256	0.9
717.58405	0.5
721.29022	1.1
721.41681	22.0
722.42267	5.0
738.88776	0.5
759.21790	0.6
781.40710	3.3
782.42139	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	777.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30391	0.5
55.01757	0.9
57.03320	1.2
58.00454	0.9
59.01250	100.0
60.01582	1.7
61.98700	1.8
69.03328	0.8
71.01254	37.0
72.99183	2.3
73.02821	12.0
79.95594	0.6
81.03345	0.7
83.01258	4.1
85.02821	13.0
85.03297	0.9
85.99924	0.7
87.00776	2.6
89.02317	12.3
89.02836	0.7
89.95992	0.5
95.01264	3.9
96.95911	0.7
97.02851	1.7
98.19795	1.6
99.00771	1.6
99.54948	0.6
101.02325	17.1
113.02330	32.8
114.02690	0.7
116.92746	0.7
119.03388	6.1
124.01571	1.4
125.02347	4.2
131.03398	1.5
143.03418	5.0
149.02242	0.6
149.04466	0.9
161.04460	8.4
171.10205	0.7
179.05614	1.7
203.05650	0.7
253.09564	0.7
307.02847	0.6
377.23251	0.6
451.31039	0.8
469.31592	6.9
470.32364	1.2
487.32977	1.1
508.22537	0.7
577.34064	0.8
595.35388	1.6
613.35974	9.8
614.36792	2.5
631.36993	32.0
632.37311	6.7
649.37885	10.5
650.38593	2.1
673.38043	8.3
674.39032	2.2
691.39130	13.9
692.39630	3.0
733.41290	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	779.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.6
59.01258	7.1
61.13645	2.3
69.03325	100.0
69.69256	18.0
71.01260	5.0
72.99174	2.7
78.78564	2.3
80.42288	2.7
89.02266	3.5
91.33552	2.5
97.02828	22.7
99.00758	23.0
122.57225	3.2
123.00843	2.4
130.02460	2.6
134.03633	5.0
141.01820	7.7
145.02876	3.1
149.05974	2.9
160.08810	3.4
162.35616	2.8
165.05562	3.1
175.11147	5.2
185.00854	86.1
186.01085	5.0
193.05049	7.9
219.10216	4.8
251.28528	2.6
331.56305	2.7
379.06656	66.2
380.07056	6.5
399.16620	9.1
557.90991	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	775.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05687	0.1
59.01252	0.6
59.78122	0.1
61.98696	0.3
62.96270	0.1
69.14422	0.8
69.14848	0.4
71.01265	0.3
78.95776	14.7
79.95604	2.6
81.03307	0.1
83.02383	0.4
83.04887	0.2
88.81161	0.1
88.98684	0.2
89.02277	0.1
96.95893	100.0
96.96809	20.5
97.95832	0.4
98.02354	1.9
98.03461	0.2
101.02388	0.1
102.77954	0.1
135.56699	0.1
156.89108	0.1
160.01549	0.3
165.01862	0.1
175.03961	0.4
193.05034	0.2
225.16101	0.2
374.67520	0.1
677.50159	0.3
715.49323	0.2
716.50897	1.2
775.47461	0.7
776.46820	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	777.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.9
57.03322	0.9
59.01248	100.0
59.12409	0.3
60.01565	0.9
60.20867	0.3
60.83153	0.3
61.98692	0.9
62.33243	0.4
69.38178	3.0
71.00848	0.8
71.01250	14.7
72.99180	0.7
73.02824	3.9
75.00748	0.4
75.66690	0.3
83.01267	3.8
84.02040	0.5
85.02823	5.6
87.00767	1.2
88.98685	0.4
89.02304	0.7
95.01283	0.6
96.95910	0.8
99.00761	3.6
101.02322	9.1
107.76627	0.3
111.00612	0.7
112.01548	2.1
113.02339	4.5
113.56689	0.3
122.69896	0.3
123.00528	1.0
125.02220	0.9
125.50758	0.3
127.00261	0.5
127.11177	1.2
129.01807	0.4
129.12769	0.7
135.04431	1.2
140.00833	1.1
141.01611	1.3
143.03427	0.6
150.05620	0.3
151.00002	1.6
151.03900	0.4
151.11253	0.9
159.02907	0.6
161.04439	3.1
166.99521	1.9
169.11974	2.3
183.02663	8.0
183.91373	0.3
185.00584	0.5
187.36420	0.3
213.11104	1.7
227.01674	2.4
235.13129	0.4
253.14116	1.9
291.18146	5.1
292.18509	0.5
297.13132	0.4
313.16434	8.5
314.16986	0.7
331.17401	2.3
333.19092	2.0
355.17560	6.8
356.17981	0.9
357.15317	6.2
358.15454	0.5
373.18384	12.7
374.18945	1.4
375.16315	6.0
376.16840	0.5
397.13498	0.3
399.16760	1.1
407.09622	0.4
417.17838	0.6
575.18823	0.4
575.42365	0.4
578.21954	0.4
616.09131	0.4
687.98309	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	773.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.98692	0.5
71.01247	0.4
78.95776	11.5
79.95609	3.2
89.02342	0.2
94.97974	0.2
96.95889	100.0
96.96802	14.2
97.95805	0.4
98.02382	0.2
100.89448	0.1
101.02300	0.2
144.98111	0.2
254.74951	0.2
274.41312	0.2
277.21716	0.7
291.03998	0.2
397.13504	0.4
407.17682	0.3
433.37451	0.2
435.08194	0.5
453.09329	1.2
461.00415	0.2
619.77734	0.2
713.30719	1.2
714.31482	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	775.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85385	1.1
55.01752	1.3
57.03318	3.2
57.53948	1.0
58.00462	4.6
59.01247	100.0
60.99165	1.0
61.98703	3.0
69.00300	1.1
69.55890	7.7
71.01251	85.1
72.01588	1.9
72.99182	8.7
73.02804	2.5
74.12383	1.1
79.95642	1.6
83.01243	3.0
85.02818	15.4
85.92645	0.9
87.00752	6.8
88.98666	1.3
89.02315	92.0
90.02594	1.3
93.03289	1.9
95.01257	4.7
95.16308	1.1
96.95883	23.7
98.95443	1.3
101.02322	45.0
102.02625	1.4
108.02028	1.1
109.02840	1.8
111.00808	1.2
113.02329	31.9
119.03385	38.2
121.02834	4.4
122.03631	4.9
123.00742	2.1
125.02394	1.8
131.03386	5.7
132.02055	1.7
133.01324	1.4
133.02831	1.6
134.03612	1.6
136.01540	9.0
137.02364	6.2
137.03287	1.1
139.03931	1.3
143.03406	10.5
145.02866	7.0
146.03517	1.6
147.04382	2.2
149.02356	8.7
149.04439	3.3
150.03130	24.4
151.00269	11.4
151.03925	10.6
152.01036	2.0
152.04634	1.2
153.01849	1.1
160.01595	1.5
161.02344	8.1
161.04456	9.3
162.03123	33.1
163.03755	1.4
164.04707	2.5
165.01825	9.4
165.05473	26.5
166.02617	31.6
166.05743	1.2
167.03284	2.5
175.03902	5.0
176.01044	1.7
177.01840	16.4
177.05469	19.6
178.81866	1.1
179.03436	2.2
179.05544	16.5
180.04164	11.0
181.04970	36.2
182.05161	1.1
191.03416	3.0
191.05437	1.1
192.04207	12.3
193.04942	1.5
193.28802	1.1
195.02908	1.4
195.06548	35.1
196.06656	1.0
207.06549	9.3
210.05077	1.3
225.07652	8.3
357.12219	3.4
359.11267	1.9
372.12210	2.1
386.13937	1.9
387.10037	1.5
387.14792	10.8
388.15198	2.1
402.13373	1.7
417.15500	15.5
418.15863	1.7
521.25000	1.1
565.21179	5.2
577.20673	22.3
578.20996	3.6
613.22723	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	775.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
58.00465	5.0
59.01249	100.0
61.72797	0.7
61.98698	1.4
66.82848	0.7
69.17866	4.9
69.18270	1.4
71.01253	77.6
72.01586	1.5
72.99178	6.7
73.02822	2.2
79.85902	0.5
83.01257	2.6
85.02348	1.1
85.02819	12.4
87.00750	6.9
89.02316	88.3
90.02637	1.4
91.51551	0.5
92.21954	0.6
93.03348	0.9
95.01252	4.1
96.95889	2.9
98.19753	1.4
99.00748	0.6
101.02324	40.2
108.02016	0.9
109.02849	1.1
113.02329	29.4
114.02662	0.7
116.92793	0.9
117.03349	0.9
119.03387	34.2
121.02810	2.3
122.03611	3.0
123.00785	1.1
123.04362	0.8
125.02316	1.5
131.03386	4.6
133.02776	1.5
134.03604	1.6
136.01570	6.2
137.02405	3.7
138.03146	0.9
139.03893	0.9
143.03397	9.3
145.02861	8.1
146.03577	1.9
147.04401	1.9
149.02336	5.6
149.04424	3.8
150.03130	18.3
151.00267	9.6
151.03925	7.5
153.01834	0.7
161.02365	7.1
161.04419	6.7
161.05875	1.4
162.03131	31.3
163.03638	1.8
165.01817	1.2
165.04153	1.2
165.05486	22.0
166.02629	31.7
166.05768	1.2
167.03186	1.5
175.03893	2.5
176.00955	1.4
177.01857	13.4
177.05502	17.6
178.02374	0.9
179.03357	0.8
179.03780	1.0
179.05531	18.3
180.04208	4.5
181.04980	32.8
182.05240	1.3
190.02641	0.8
190.06387	1.1
191.03360	2.0
192.04198	8.2
193.04837	1.4
195.02748	0.7
195.06552	22.5
195.08327	1.1
196.06818	0.8
205.04887	1.8
207.06549	8.8
210.05173	1.1
217.04982	0.8
220.07162	0.8
223.05975	1.0
225.07556	2.3
259.56903	0.6
329.09894	0.6
357.11981	1.9
372.11792	0.9
375.30026	0.6
385.12823	1.0
386.13583	1.1
387.10281	2.7
387.15033	6.4
402.12921	2.0
417.15540	15.0
418.15573	1.0
565.20361	1.7
577.20801	19.0
578.20844	3.9
613.22809	4.9
614.22919	1.1
663.83789	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	773.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03317	1.0
58.00464	1.6
59.01250	100.0
60.01587	1.4
61.98698	2.4
63.82042	0.5
69.03339	2.0
71.01254	45.4
71.45518	1.2
72.01613	0.6
72.99182	1.7
73.02818	37.2
75.00761	1.6
78.95831	0.5
80.96399	1.3
81.03366	0.9
83.01260	13.5
83.01724	0.9
85.02821	8.7
87.00768	2.1
89.02319	15.6
95.01261	2.8
96.95893	2.1
97.02856	1.4
99.00745	1.3
101.02322	45.5
102.02641	0.8
102.90763	0.5
103.01582	0.5
103.59346	0.5
113.02335	24.6
114.02663	0.7
115.00315	0.9
116.92773	0.8
119.03407	6.1
121.22050	0.5
125.02351	2.6
127.05048	2.2
128.03464	2.2
131.03406	4.3
133.01346	2.1
143.03407	6.7
145.06169	0.7
149.02408	0.6
149.04431	5.8
150.03194	1.0
151.00194	0.6
155.03459	1.6
161.04460	12.2
162.04839	0.8
165.05566	0.9
175.04053	0.8
179.04018	0.9
179.05515	5.3
181.20906	0.5
195.06503	1.0
203.05621	2.5
221.06755	1.8
301.03519	1.3
329.97955	0.6
533.20209	0.7
583.31561	2.1
609.33154	0.7
625.32788	0.6
627.34534	1.0
632.74915	0.7
639.15295	0.7
643.33270	2.7
644.36053	0.6
772.43085	1.8
773.42963	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	773.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.3
61.98693	0.5
66.94131	0.1
71.01254	0.3
71.50166	0.3
78.95778	10.4
79.95604	2.6
94.92365	0.1
94.97965	0.3
96.95892	100.0
96.96808	14.7
97.95801	0.4
98.02366	0.3
100.47884	0.1
101.02332	0.2
104.99030	0.1
162.56633	0.2
203.81029	0.2
205.97243	0.2
277.21664	0.6
291.04175	0.2
367.52121	0.2
397.13556	0.4
407.17520	0.4
453.09381	0.7
713.31079	1.1
773.42267	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	773.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01217	0.2
61.98693	0.2
71.01236	0.5
71.50125	0.2
71.50484	0.2
77.15795	0.1
78.95775	13.1
79.95602	3.3
94.97952	0.3
96.95889	100.0
96.96806	16.5
97.95822	0.4
98.02362	0.9
101.02338	0.2
118.16997	0.2
118.96577	0.2
146.06189	0.1
277.21774	0.4
379.81839	0.2
397.13556	0.4
407.17340	0.3
435.08337	0.3
453.09335	0.7
713.30023	0.7
714.31165	0.2
722.04083	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	770.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	5.8
59.01250	61.9
59.29829	2.9
60.01571	3.2
61.98690	9.3
70.36357	7.1
70.36691	4.2
70.63356	2.9
71.01256	40.1
72.01614	3.0
73.02822	6.5
78.95766	2.9
80.04922	6.1
83.01273	4.8
85.02824	12.9
85.04414	2.7
87.00774	4.3
89.02317	12.0
91.69109	2.7
94.02861	12.6
95.01250	5.2
96.95889	8.0
99.00744	4.3
101.02331	20.8
101.75363	3.0
102.05589	2.7
106.06519	4.3
108.04472	3.9
113.02365	14.9
114.02693	4.2
116.92792	3.8
119.03418	4.5
122.06026	28.1
125.02305	6.4
134.06023	3.1
135.11923	2.8
136.03941	4.4
138.05492	7.6
148.04041	3.4
150.05492	10.3
151.00240	3.3
152.05859	4.3
152.07077	60.9
161.04474	4.7
188.44376	3.3
201.10112	5.0
213.10258	4.4
227.12070	3.2
229.09767	7.2
229.13252	3.0
245.12975	6.1
253.09641	3.2
255.11415	3.0
265.09882	4.4
267.11295	5.0
270.85355	2.6
273.12390	7.2
278.06982	3.3
279.07797	5.2
281.13126	3.3
293.09396	15.2
295.10876	7.0
297.12149	3.0
301.11841	10.7
309.12103	3.0
319.12952	31.0
320.13513	4.2
323.10294	6.2
327.13098	4.2
337.08163	8.3
374.15054	4.9
392.15881	5.7
416.16458	6.9
459.17749	7.8
486.16949	3.3
492.20853	3.5
503.16461	7.3
504.17828	12.5
504.32651	4.0
507.18878	4.0
518.19208	3.6
550.21844	15.4
557.24243	4.8
581.24304	4.9
599.24951	16.5
615.24664	6.9
643.24182	28.9
644.24286	6.0
665.37085	9.3
666.38171	26.0
667.38794	39.5
675.26703	100.0
676.27051	25.2
683.37958	7.6
684.39020	16.4
685.39764	14.5
689.28485	4.8
707.29291	58.7
708.29437	12.2
725.39178	4.8
726.39319	13.1
727.41187	11.3
756.23236	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	771.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72797	0.5
55.01741	1.5
56.04564	0.5
57.03322	3.8
58.00452	1.5
59.01248	53.1
60.01568	0.7
61.98694	2.2
68.99696	0.5
69.03319	1.5
70.32894	1.2
70.33283	1.3
71.01253	38.1
72.01591	0.9
72.99173	2.8
73.02814	8.0
75.00746	1.0
77.12473	0.5
83.01259	5.5
85.02819	19.0
85.99951	1.1
87.00760	3.8
89.02309	16.7
95.01261	5.1
96.95876	1.3
97.02825	2.0
99.00742	3.9
101.02324	23.1
110.01775	0.6
111.00769	2.3
112.01537	1.1
113.02327	20.1
115.04621	0.6
119.03387	5.5
124.01548	1.8
125.02312	4.2
131.03404	0.9
134.03624	0.6
143.03365	2.5
149.02374	0.8
149.04344	0.7
159.02927	0.7
161.02444	0.7
161.04463	2.3
161.09615	0.7
163.03842	0.9
164.04691	0.8
165.05431	1.3
171.13756	1.2
173.34785	0.5
175.03838	0.7
179.05536	1.7
179.10672	4.3
187.13248	1.1
190.02629	2.4
201.14879	1.6
205.04956	3.3
206.33112	0.5
223.06155	1.0
223.09680	5.2
247.06107	2.3
315.25342	0.9
343.28583	0.8
359.27930	1.5
361.29599	9.8
362.29968	1.3
367.10217	3.2
385.11176	1.0
385.15372	0.9
403.16058	4.8
419.66754	0.6
505.33856	6.3
506.34790	0.8
523.34827	9.2
556.06995	0.8
565.21313	1.1
573.96362	0.6
591.20862	1.7
603.54071	0.6
631.36554	1.1
667.39063	100.0
668.39392	15.2
685.40125	43.6
686.40619	6.3
727.41150	26.6
728.41461	4.6
771.27515	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	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.4
57.03309	5.4
58.00457	3.6
59.01250	90.1
59.46036	1.5
61.98693	6.2
64.48676	1.6
69.43859	4.8
69.44281	8.9
71.01254	65.8
72.99178	4.6
73.02819	10.9
78.95763	2.5
82.00111	1.5
83.01249	6.8
85.02831	26.5
87.00743	5.5
89.02316	33.6
91.16622	1.7
95.01274	8.3
95.01934	1.3
96.95884	6.2
97.02816	3.4
97.06421	1.5
99.00742	6.4
101.02322	33.4
111.00791	2.3
113.02332	32.8
119.03390	9.2
124.01611	1.9
125.02315	4.1
128.03329	2.6
137.09677	3.1
143.03366	5.1
161.02350	2.3
161.04425	5.6
175.03931	2.6
179.05544	3.4
201.14902	2.9
295.10614	1.9
333.35126	1.7
348.35477	1.9
359.28195	2.3
503.32428	12.7
521.33398	9.4
522.33679	2.5
563.34076	5.7
649.37909	2.6
665.37518	100.0
666.38074	16.2
667.38458	3.2
683.38507	56.9
684.38776	8.6
725.39532	36.5
726.39795	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	769.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75832	0.9
54.87131	1.0
55.01745	3.0
57.03324	4.1
58.00460	2.9
59.01250	58.6
61.98698	3.4
68.99685	1.1
69.03330	2.6
70.89227	2.6
71.01252	44.1
72.99186	3.5
73.02820	7.9
75.00731	1.5
78.95775	1.8
82.07475	1.1
83.01260	6.7
85.02825	18.3
87.00767	6.3
89.02317	15.8
95.01263	4.3
96.95882	1.7
97.02808	2.3
99.00746	3.6
101.02321	25.2
111.00779	5.7
113.02330	16.9
119.03365	4.4
124.01556	1.6
125.02324	5.0
129.01846	1.1
134.03603	1.4
141.09003	1.1
141.12694	1.1
143.03345	1.3
159.02859	2.1
160.01575	1.4
161.02339	1.5
161.04459	3.7
169.12190	1.1
171.13821	1.7
175.03954	2.0
179.05550	2.5
201.14888	4.2
249.11217	1.0
310.63492	1.2
341.26468	1.2
356.11148	1.3
359.28140	5.7
360.27780	1.2
401.21310	1.0
503.32175	10.5
504.32596	1.6
521.33295	9.5
563.34875	2.5
665.37494	100.0
666.37830	17.2
667.27667	1.4
683.38501	56.9
684.39276	7.5
725.39722	23.6
726.39484	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	767.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
60.99178	16.4
61.98707	0.5
71.01257	0.5
71.16566	0.8
87.00737	1.7
88.00280	2.7
88.98679	100.0
89.02316	11.6
89.99028	0.8
163.41502	0.3
164.16206	0.3
195.84291	0.3
223.23038	0.3
279.23270	0.6
347.99017	0.3
354.79947	0.3
397.13406	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	767.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.0
60.99175	15.6
61.98694	0.2
71.01250	1.2
71.49267	0.2
71.49671	0.2
72.99175	1.0
73.02815	0.3
75.00751	0.3
81.03333	0.4
82.10017	0.2
83.01266	0.2
83.04915	0.9
85.02816	0.4
87.00220	0.2
87.00745	1.7
88.00279	3.0
88.98676	100.0
89.02309	7.8
89.99014	0.9
90.01850	0.2
90.02648	0.2
98.02312	0.2
99.17091	0.2
101.02319	0.7
113.02308	0.4
224.17641	0.2
225.16040	0.5
283.66214	0.2
398.75629	0.2
422.26804	0.2
451.33389	0.2
537.32739	0.5
663.35846	1.2
664.35736	0.3
673.46735	0.6
675.48059	1.2
677.49628	1.4
678.50446	0.3
681.37213	0.9
689.46429	0.3
691.47681	0.9
707.49152	0.6
723.38464	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	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43349	0.2
59.01239	0.5
60.99177	18.6
61.98696	0.2
71.01252	0.4
79.60315	0.2
87.00752	2.0
88.00280	3.3
88.98679	100.0
89.02316	14.8
89.99015	0.9
90.02650	0.3
95.43465	0.2
101.02332	0.2
113.02322	0.2
125.02321	0.2
147.08138	0.2
213.84367	0.2
229.25494	0.2
235.08195	0.2
271.07379	0.2
276.31607	0.2
277.21741	0.7
341.65808	0.3
349.72906	0.2
353.43658	0.2
397.13504	1.1
415.14655	0.3
446.55118	0.3
789.97723	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.2
59.01248	48.0
61.98709	20.6
69.03289	3.7
69.32526	18.0
69.32948	9.8
71.01250	33.3
73.02802	5.5
78.95764	5.8
83.01250	4.5
85.02810	12.5
87.00765	5.6
88.98687	5.8
89.02325	28.2
96.95884	6.0
97.02854	4.2
97.06444	5.0
97.78378	3.2
101.02325	27.3
113.02359	16.0
119.03365	10.6
125.02335	7.2
125.09605	6.9
127.45420	3.4
134.92975	3.1
137.09671	6.3
137.42145	3.8
143.03339	4.3
153.35139	2.9
154.38794	4.3
161.04480	6.3
163.11203	7.9
179.05577	6.4
185.11763	9.9
191.14374	7.7
209.11717	27.4
225.11217	5.3
235.08194	8.8
237.11382	4.7
238.69362	3.2
245.19119	19.1
289.18088	78.2
290.18457	8.8
292.44220	3.5
297.10870	3.6
307.19131	100.0
308.19574	10.0
397.13519	55.1
398.13763	5.9
415.14536	44.5
416.15100	4.0
705.33496	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	767.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.5
57.03304	5.2
58.00455	4.3
59.01248	100.0
61.98692	7.7
63.39327	1.6
66.85097	1.6
71.01251	70.8
72.99178	5.1
73.02816	10.8
78.95773	3.6
83.01256	8.0
85.02827	22.6
87.00746	5.8
89.02310	37.1
95.01254	5.3
96.95897	11.9
97.02840	4.3
98.19801	5.8
99.00746	4.7
99.04367	3.2
101.02320	40.3
111.00784	2.8
113.02336	31.9
116.92721	1.7
117.03328	3.8
119.03379	18.0
125.02314	3.8
131.03433	2.2
132.02039	7.3
133.02824	2.7
134.03636	41.3
135.04382	3.5
138.96567	1.7
143.03372	5.4
147.04408	5.7
149.05942	6.9
151.03799	2.5
160.01559	44.2
161.02171	2.9
161.04443	9.2
161.09737	2.3
161.13278	12.8
164.44395	2.0
174.03110	5.7
174.13443	1.7
175.03926	56.6
176.04678	8.8
177.01833	2.6
177.05400	2.8
178.02621	3.6
179.05527	8.9
187.11205	27.4
188.11633	3.6
191.07031	11.0
193.04987	41.8
194.05249	3.8
202.02625	14.2
205.12262	22.3
207.06531	2.8
217.05009	57.3
229.12317	8.0
229.36075	1.9
231.10342	2.0
235.06105	16.1
243.12425	2.5
247.13300	2.3
249.11310	23.6
250.11481	1.8
273.11249	2.3
314.13138	2.2
322.06754	2.5
337.09283	28.2
338.09515	2.3
349.14069	2.0
355.10257	31.3
363.20016	2.2
411.16446	8.7
429.17691	13.9
430.17572	2.6
475.25269	2.9
481.20746	2.5
501.30673	6.8
503.32184	2.1
519.31628	2.8
543.22357	12.5
543.29474	2.8
561.32635	14.9
562.33069	2.3
587.21185	17.8
588.21320	5.2
591.22772	8.5
646.36658	2.0
647.35876	4.8
663.35895	39.9
664.36133	5.4
665.37402	7.2
681.36938	27.4
707.38037	2.2
723.38403	12.1
725.39294	2.0
767.28168	11.2
767.39716	2.1
768.27911	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	763.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57285	0.2
59.01253	0.8
67.49955	0.2
68.78428	0.2
71.01255	0.4
75.21021	0.2
84.95020	0.2
86.02365	0.3
86.16247	0.2
87.00749	100.0
88.00271	6.6
88.01059	1.5
89.02333	0.4
98.19740	0.2
101.02348	0.4
143.89857	0.2
277.21698	0.8
397.13547	1.9
415.14566	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	764.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84032	1.0
55.94974	1.1
56.22552	1.0
57.02095	1.0
59.01249	39.2
60.11048	1.0
61.26458	1.4
61.98682	3.1
66.91959	1.2
68.19467	1.0
71.01249	9.3
71.49140	1.8
85.02810	3.7
88.98690	1.2
89.02309	9.8
96.95879	2.3
99.04385	4.2
101.02329	5.0
113.02304	4.9
116.92729	1.3
119.03395	3.4
120.01096	1.5
135.04395	4.6
150.03085	1.7
152.07033	1.4
159.85464	1.1
161.02335	2.4
162.11656	1.1
165.05414	1.3
165.12704	2.2
179.03378	1.4
179.05620	1.4
191.05521	3.1
195.06430	1.5
201.11275	7.7
207.13901	5.5
209.10191	1.3
209.11781	14.3
225.14848	9.8
251.12753	3.7
269.13925	31.9
270.14169	3.1
314.10397	9.0
445.26981	1.2
449.20239	100.0
450.20602	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48715	0.3
59.01250	0.4
59.17067	0.2
59.97417	0.2
60.99179	17.2
68.26160	0.2
70.80972	0.4
70.81321	0.5
87.00767	2.0
88.00278	3.8
88.00856	0.3
88.01076	0.4
88.98682	100.0
89.02319	16.6
89.99036	1.1
133.47496	0.2
147.30499	0.2
207.57018	0.3
231.99426	0.3
277.21826	0.7
324.64642	0.3
397.13577	1.3
415.14801	0.4
605.28235	0.3
739.85657	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	760.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24213	1.6
56.53375	1.4
57.03299	2.1
58.02847	16.2
59.01241	6.8
61.98701	7.6
62.04667	1.6
66.03358	2.7
71.01260	3.8
71.29608	3.5
71.47942	1.9
72.97430	1.7
74.00552	2.3
74.02339	31.1
74.36318	1.6
78.95761	1.5
81.04434	3.2
82.02859	5.3
84.04430	2.3
86.02352	13.4
86.06002	2.5
87.05511	5.7
88.03889	1.9
88.98672	4.3
96.95891	4.2
97.03921	5.4
99.05521	25.7
99.66645	1.7
100.00301	3.9
101.02345	2.3
101.07071	4.8
102.05476	5.9
107.05963	1.8
109.03975	4.4
109.78432	1.7
111.05534	3.3
112.03960	3.3
112.30939	1.5
113.02283	1.9
113.03400	2.0
120.01146	3.3
123.05514	4.5
124.03923	2.9
125.03442	13.0
127.05004	7.2
128.03426	98.2
129.03725	2.5
135.05528	9.5
137.07088	3.2
141.06580	3.5
143.04524	89.3
144.04819	2.2
145.06065	5.2
146.04507	9.7
153.06578	4.1
165.12775	1.8
166.09735	5.5
167.04526	7.9
167.08134	8.8
169.06006	1.9
170.03200	3.5
171.03975	2.4
179.01088	2.2
179.04550	21.3
181.06087	2.1
185.05603	3.0
192.07787	2.9
197.05640	2.9
198.77852	1.9
210.08771	23.3
228.09886	2.3
254.05161	2.8
254.07808	49.0
255.07964	2.5
256.11374	3.4
272.08868	100.0
273.09219	6.1
291.19589	4.8
293.21082	2.6
314.09744	2.1
325.18243	11.9
434.14127	2.1
469.23846	3.1
580.26874	18.5
581.27380	2.8
598.28070	84.4
599.28400	13.8
640.29218	4.7
742.31812	2.9
760.33038	38.6
761.33246	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	760.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06073	2.5
59.01250	23.2
61.98687	23.3
71.01246	19.6
71.49998	2.2
73.02809	2.0
82.95287	56.7
83.02380	48.4
84.00783	100.0
84.01869	11.3
84.02724	3.4
84.94984	29.2
85.00294	13.6
87.00780	2.9
89.02308	11.9
101.02320	13.2
113.02309	6.8
119.03355	4.9
125.02306	5.5
143.03397	2.6
146.17967	2.3
154.29887	2.8
175.47168	2.1
179.05527	4.1
217.09467	2.2
235.08095	8.8
277.21710	38.8
278.22021	4.3
287.08096	3.1
305.08771	3.0
397.13464	60.6
398.13754	4.0
415.14471	23.9
582.41101	3.1
700.33862	4.0
704.78705	2.8
760.31818	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	757.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62822	2.1
59.01242	6.8
61.28121	1.9
67.11364	2.0
70.62809	6.4
71.01262	9.1
72.99186	2.7
75.00742	10.2
75.35605	2.2
85.02814	9.8
95.01254	2.5
99.00746	5.8
103.00208	2.3
113.02331	12.1
117.01845	2.5
117.77555	2.1
121.02846	52.6
121.03700	4.1
177.78421	2.0
206.08270	2.8
231.05115	3.9
249.06113	29.0
271.37457	2.4
371.09814	100.0
372.10321	8.1
639.27386	2.3
751.10724	2.2
787.98132	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	757.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03325	1.9
57.17247	0.5
58.00461	0.6
59.01252	100.0
60.01601	0.7
61.98713	2.9
62.62313	0.5
63.24681	0.6
68.99711	0.8
69.03342	1.4
70.06593	2.8
71.01253	25.3
72.99172	1.6
73.02824	6.2
81.03275	0.7
83.01266	3.1
85.02824	13.4
86.39765	0.6
87.00774	2.0
89.02321	8.0
95.01252	3.3
97.02853	2.7
98.20428	0.6
99.00784	2.5
101.02325	11.8
102.05485	1.6
111.00771	1.2
112.01554	0.9
113.02332	17.2
115.46317	0.6
116.92767	0.7
119.03350	3.1
124.01566	3.7
124.43936	0.6
125.02327	6.9
128.03438	3.9
143.03397	4.5
144.36403	0.6
148.93851	0.7
159.02979	1.0
161.04492	3.2
163.07535	1.4
167.14317	0.6
179.05521	1.4
211.13350	1.5
264.09985	0.7
283.93262	0.7
306.00055	0.6
372.70294	0.6
449.29318	2.6
467.30304	2.1
545.73877	0.7
557.31567	1.4
575.32520	1.4
593.33258	14.4
593.42395	0.8
594.34180	2.5
611.34320	56.1
612.34875	9.1
628.37250	1.1
629.35400	18.8
630.35834	3.4
653.35260	7.5
654.35938	1.3
671.36389	15.0
672.36761	2.8
681.35425	0.7
713.38177	0.8
757.41449	6.3
758.41956	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	755.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63936	0.2
55.01761	0.5
57.03323	0.9
57.83691	0.2
59.01249	100.0
60.01576	1.2
61.98705	0.5
66.45650	0.3
69.53857	1.7
71.01252	7.2
71.01621	0.5
72.99178	0.3
73.02818	2.8
83.01265	1.4
85.02825	4.7
89.02319	0.9
95.01270	0.4
96.95899	0.6
98.20514	0.6
99.00775	1.2
101.02319	7.3
105.09544	0.2
110.31734	0.2
113.02319	3.0
119.49455	0.3
125.84562	0.2
131.11412	0.3
143.03455	0.3
159.02913	0.7
161.04475	2.3
221.00160	0.2
266.44525	0.3
291.18121	12.1
292.18567	1.1
333.19199	3.4
334.19699	0.3
414.87363	0.3
530.37695	0.3
669.40942	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	755.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.1
57.03321	3.7
58.00457	1.3
59.01249	78.9
60.01548	1.5
61.98704	15.6
63.27673	1.0
68.99695	1.3
69.03307	2.1
70.63969	2.5
71.01250	49.0
72.01607	1.3
72.99166	3.8
73.02816	10.3
75.00728	1.8
78.95789	3.2
83.01255	9.7
85.02824	23.1
87.00747	5.1
89.02317	13.5
95.01257	6.5
96.95876	3.8
97.02816	3.1
99.00766	5.5
101.01705	2.2
101.02324	27.5
111.00754	5.1
112.01537	2.0
113.02334	21.6
113.03153	1.6
113.03482	2.8
119.03380	3.8
124.01543	2.8
125.02333	6.9
134.03630	1.2
143.03401	4.1
159.02855	2.8
161.04485	3.3
175.03966	1.4
188.11568	1.3
237.72478	1.3
299.25705	2.5
301.03650	1.6
345.30106	8.0
421.27460	1.2
430.68298	1.4
489.33899	4.1
507.35272	11.4
606.34985	2.0
615.37646	1.4
620.22943	1.3
651.39514	100.0
652.40063	21.3
669.40625	58.3
670.40881	12.4
711.41644	28.2
712.42157	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	755.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	4.6
56.44853	0.8
57.03320	3.5
58.00458	1.7
59.01249	69.5
60.01579	1.1
61.98703	2.1
68.76224	0.8
68.99679	0.9
69.03319	2.1
69.21850	8.9
69.46444	0.8
71.01254	47.3
72.99171	2.9
73.02822	12.3
75.00723	1.0
83.01261	8.5
85.02819	24.8
87.00730	4.4
89.02316	13.1
95.01258	5.7
97.02830	2.6
98.23026	0.9
99.00766	5.1
101.02325	27.7
111.00762	2.9
112.01545	1.2
113.02334	23.7
119.03409	4.5
124.01543	1.6
125.02348	5.2
132.14958	0.9
143.03395	2.8
152.84848	0.8
159.02943	2.2
161.04494	3.4
173.28223	1.0
179.05533	0.9
198.32224	0.9
229.23538	0.9
240.00427	0.8
243.26958	0.9
299.25778	1.7
331.48184	0.9
345.30075	4.5
489.34430	4.9
490.34119	1.0
507.35300	8.3
508.35635	1.7
651.39581	100.0
652.40045	19.8
669.40662	55.6
670.40918	12.4
706.10028	1.1
711.41785	26.1
712.41809	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	753.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10445	0.3
59.01255	2.0
60.75426	0.3
61.98383	0.7
61.98703	13.0
69.03331	0.5
69.49178	1.7
69.49579	0.7
71.01231	0.6
72.99182	3.4
75.00745	100.0
76.00286	0.5
76.01103	0.7
76.97271	0.3
81.03339	1.6
83.04893	4.4
96.95897	1.8
98.02331	0.3
101.02288	0.4
120.79807	0.3
128.61922	0.3
151.03906	0.4
161.02368	0.6
205.05049	0.6
220.13158	0.3
224.17699	0.9
225.16049	2.2
288.93872	0.3
338.24445	0.4
340.26404	0.5
383.29898	0.3
450.34491	0.8
451.33011	0.7
529.15741	0.6
559.40686	0.4
574.42126	0.4
675.48242	1.8
677.49591	4.7
678.49799	1.3
679.50366	0.4
691.47906	0.6
693.49072	18.1
694.49500	4.7
753.50653	0.7
754.47491	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	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44354	0.3
57.36557	0.2
59.01255	1.1
61.98703	100.0
71.01260	0.6
96.95834	0.6
101.02342	0.4
213.17494	0.3
255.14365	0.3
272.59448	0.3
273.00809	0.3
451.26630	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	753.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.9
57.03321	3.2
58.00471	3.4
59.01252	94.2
60.01110	1.1
60.01586	1.5
61.98691	3.6
69.03324	1.8
69.26825	9.8
71.01254	55.8
72.01571	1.5
72.99193	4.2
73.02816	12.7
75.00735	1.3
81.03302	1.1
83.01260	7.8
85.02827	24.6
85.99969	1.1
87.00756	5.2
89.02314	25.8
95.01266	6.3
96.95882	1.3
97.02824	3.0
99.00745	6.2
101.02322	30.7
111.00791	2.3
113.02332	26.6
119.03386	10.6
121.10119	1.4
124.01574	1.6
125.02316	3.4
129.01851	2.2
142.15074	1.1
143.03392	4.0
150.92418	0.9
153.18245	1.1
159.02887	1.8
161.04446	5.1
170.02693	1.0
179.05531	2.6
188.39767	1.0
439.73483	1.0
469.31409	1.2
487.32706	8.5
488.33020	1.2
505.33844	9.8
506.33908	1.3
649.38013	100.0
650.38397	19.9
651.39050	1.3
667.39087	68.7
668.39435	14.7
709.40149	29.6
710.40521	8.1
723.24945	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	753.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67231	1.3
55.01757	4.1
57.03320	4.2
58.00475	2.3
59.01250	100.0
61.98419	1.2
61.98691	6.2
62.52408	1.2
65.18515	1.1
69.26659	10.5
69.27070	1.8
71.01255	69.7
72.01607	1.8
72.99185	3.2
73.02820	16.2
79.54450	1.1
81.03294	1.2
83.01257	11.1
85.02820	32.1
87.00747	4.8
89.02319	22.8
92.43606	1.4
95.01260	9.1
97.02827	2.9
98.20620	2.8
99.00761	5.6
101.02325	36.6
101.61547	1.1
102.02678	1.2
111.00803	4.2
113.02331	36.9
114.02662	1.5
119.03378	9.5
121.10132	2.8
121.21579	1.6
124.01582	2.6
125.02350	4.8
135.76582	1.3
143.03401	5.8
159.02904	3.2
161.04475	9.5
179.05516	2.2
275.60388	1.4
341.27206	1.4
343.28314	2.9
438.39255	1.3
487.32831	14.1
488.33325	1.8
505.33777	12.5
633.38580	4.5
649.38013	97.6
650.38293	15.7
651.39648	6.8
667.39069	62.8
668.39539	11.5
669.40594	2.4
670.39508	1.5
709.40082	29.8
710.40649	5.8
711.41693	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	752.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37703	0.2
58.55545	0.3
59.01241	1.2
61.98702	100.0
64.47617	0.2
67.18792	0.2
71.01250	0.7
71.50105	0.3
77.64702	0.2
78.67387	0.2
78.95776	0.5
89.02306	0.3
96.95889	0.9
101.02320	0.4
177.98679	0.2
187.58650	0.2
236.16039	0.3
291.19699	0.3
292.20105	0.5
368.01614	0.3
537.71277	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	753.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
59.06974	1.1
69.03324	38.8
70.03677	1.9
71.01248	6.1
71.59987	1.1
72.99174	2.4
85.02823	2.1
87.00747	2.2
92.33461	1.2
97.02826	16.4
99.00756	8.7
101.05978	1.4
113.10664	1.3
135.04416	13.7
137.01695	1.2
139.00146	1.2
141.01797	3.2
179.03410	16.7
181.04807	1.2
185.00836	23.5
191.05525	1.3
197.73846	1.2
203.01913	100.0
204.02263	4.7
351.12970	3.3
365.05136	33.5
366.05399	2.8
604.79138	1.2
639.05011	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	753.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.9
59.01248	25.3
61.98703	12.4
69.62276	7.4
71.01256	19.1
85.02831	4.7
88.98643	1.5
89.02322	11.6
95.01143	1.4
96.95893	3.5
97.72289	1.5
98.20454	2.6
101.02309	6.2
107.57867	1.4
113.02348	7.3
119.03340	5.0
128.03387	1.8
132.02057	2.1
133.02855	33.7
134.03577	3.0
135.04417	21.0
147.04381	1.9
149.01167	1.7
150.03130	1.7
161.02350	100.0
161.13272	8.1
162.02704	5.5
175.03923	6.2
177.05475	3.1
179.03435	15.5
179.05489	4.6
187.11116	2.9
203.03395	13.0
205.12270	17.6
229.12242	2.7
231.15964	1.8
249.11227	15.7
259.19669	1.7
323.07697	25.3
341.08771	12.4
364.78958	1.7
385.18765	3.3
411.16635	5.8
429.17572	17.2
529.20660	13.9
530.21674	2.1
573.19714	30.1
574.19806	5.0
591.22864	7.5
753.25964	21.5
754.26312	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	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86269	0.1
59.01251	1.1
70.26695	0.3
71.01260	1.1
72.99176	2.4
73.02811	0.2
73.99501	0.1
75.00744	100.0
76.01081	1.2
78.62070	0.1
82.43991	0.1
85.02797	0.3
87.00754	0.3
89.02330	0.9
92.90257	0.1
97.02795	0.2
97.92937	0.1
101.02325	0.7
113.02345	0.5
119.03423	0.3
125.02328	0.5
143.03368	0.2
161.04486	0.2
179.05524	0.3
221.06657	0.1
235.08229	0.6
253.09317	0.1
273.89337	0.1
277.21725	2.7
278.22079	0.3
284.49808	0.1
287.07843	0.2
305.08887	0.2
397.13470	6.0
398.09167	0.1
398.13681	0.6
411.33746	0.1
415.14618	2.0
416.15482	0.1
426.53888	0.1
675.36243	0.1
696.91730	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	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23217	0.2
57.93014	0.1
59.01245	1.2
59.85242	0.1
61.98695	0.2
71.01262	1.2
71.49517	0.2
72.99181	2.6
73.02812	0.2
75.00745	100.0
76.01082	1.1
78.95795	0.4
85.02828	0.5
89.02323	1.1
95.33286	0.1
101.02322	1.1
103.92126	0.1
105.24158	0.2
113.02322	0.5
119.03426	0.4
125.02338	0.3
161.04448	0.3
179.05524	0.4
199.92064	0.2
235.08183	0.6
277.21732	3.6
278.22064	0.4
305.08810	0.2
397.13498	6.6
398.13852	0.6
415.14584	2.0
416.15070	0.3
431.02936	0.2
590.18988	0.2
640.94543	0.2
675.36823	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	751.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.8
57.03314	3.8
57.68335	0.8
58.00455	1.8
59.01251	100.0
60.01581	1.2
61.98699	10.9
66.75139	0.9
69.03326	3.5
71.01254	48.4
71.49837	1.5
72.99178	3.1
73.02818	11.9
75.00725	1.3
78.95783	2.0
83.01252	9.4
85.02025	1.0
85.02825	24.4
85.99951	1.4
87.00760	4.5
89.02315	15.4
95.01263	6.6
96.95893	7.3
97.02831	4.2
99.00777	4.5
101.02327	23.8
111.00754	3.2
111.04427	1.1
113.02337	29.9
114.02658	1.0
114.86882	1.0
115.03885	1.1
119.03413	6.5
121.10104	1.3
124.01536	2.1
125.02338	8.3
133.02960	0.9
134.03651	1.9
137.02336	0.9
141.01831	1.1
143.03404	5.0
149.02335	1.3
159.02950	1.2
161.04495	4.8
177.01851	5.2
179.05559	1.4
193.04961	2.2
194.05455	0.9
325.27536	1.4
343.28445	1.3
469.31842	2.3
485.31186	1.3
487.32809	11.2
488.33151	1.0
503.32251	1.7
505.33972	4.3
529.34442	1.1
595.34552	1.1
613.34753	1.0
631.37006	29.3
632.36890	5.0
647.36438	13.1
648.36633	2.1
649.37988	55.1
650.38330	9.9
665.37598	10.2
666.38177	2.5
667.38977	16.4
668.39056	2.9
691.39117	14.1
692.39313	2.5
707.38416	2.9
709.27905	1.3
709.40167	21.9
710.40149	5.9
751.41718	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	749.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
59.01252	100.0
60.01590	1.1
60.80270	0.5
69.03345	0.9
71.01254	10.2
71.49631	0.9
73.02829	3.4
83.01257	1.7
85.02820	4.3
89.02327	1.9
95.00007	0.5
95.01289	0.9
96.95917	0.6
97.02885	0.5
99.00775	1.9
101.02328	8.0
111.47752	0.5
113.02321	3.7
127.23760	0.5
128.03433	1.2
131.03407	0.6
139.73036	0.5
143.03525	0.5
143.04594	0.8
149.04469	1.2
150.58012	0.5
159.02890	0.9
161.04471	4.2
269.10315	9.6
307.17606	0.9
311.11353	4.8
349.18866	1.5
393.17773	1.4
491.28137	0.5
512.93079	0.6
548.43848	0.5
559.29425	0.5
748.86584	0.7
749.29919	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	749.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.0
58.00446	0.9
59.01250	19.3
61.98705	5.3
70.24211	2.7
71.01254	17.2
72.99186	1.2
73.02823	2.0
75.00736	1.2
78.95774	1.3
83.01254	2.3
85.02824	3.8
87.00734	4.1
89.02317	15.7
91.69940	0.6
91.96547	0.6
95.01267	1.1
96.95898	0.7
97.02820	2.6
99.00751	1.2
101.02316	13.6
101.31422	0.6
113.02315	7.5
119.03385	3.5
125.02316	5.6
131.03395	1.0
143.03419	1.8
157.80829	0.6
161.04471	2.3
165.12759	17.5
166.13162	0.7
175.61351	0.7
179.05550	3.6
221.06558	0.8
235.08153	5.0
247.20651	10.3
253.09210	1.1
273.18600	5.4
287.07706	1.1
291.19653	100.0
292.19962	8.1
305.08878	2.0
397.13489	52.0
398.14001	3.1
415.09042	1.4
415.14548	26.0
416.14929	2.7
580.32617	0.6
689.33612	1.9
749.36255	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	742.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
61.98704	100.0
62.98399	0.2
69.79166	0.2
69.79585	0.6
71.01268	0.4
78.95796	0.5
83.04882	0.3
87.00758	0.2
88.98683	0.3
89.02328	0.3
98.20582	0.2
101.02368	0.3
145.20203	0.1
152.99522	0.2
158.80725	0.1
161.04439	0.2
165.01407	0.1
165.26186	0.1
192.34030	0.2
201.11270	1.6
202.11671	0.5
209.11769	3.7
210.12135	1.3
227.12885	0.5
228.13260	0.2
235.59166	0.1
253.09332	0.5
277.21686	2.0
278.22089	1.6
281.24759	0.3
282.25351	0.4
327.21075	0.1
336.04565	0.2
398.13986	0.4
399.14209	0.4
400.14508	0.2
546.14697	0.2
546.86157	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	743.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03310	0.8
59.01249	100.0
60.01575	1.0
61.38466	0.5
69.55623	0.5
70.43877	0.5
71.01252	11.4
71.50201	0.9
73.02818	3.8
73.47135	0.5
83.01272	2.1
85.02816	5.7
88.48629	0.6
89.02332	1.9
95.01301	0.6
99.00757	2.2
101.02322	9.4
113.02325	4.3
119.03411	1.0
121.02850	0.8
128.03409	0.8
134.03673	0.8
138.01872	0.9
159.02943	0.8
161.04440	4.9
213.47615	0.5
269.10312	11.6
281.39868	0.6
311.11349	8.3
374.39862	0.6
387.20200	10.0
388.20563	0.9
389.24802	0.6
453.72598	0.7
744.34747	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	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.7
61.98700	10.9
69.03307	1.3
71.01252	4.6
71.50084	1.5
73.02847	1.3
83.60867	1.1
85.02818	1.8
89.02307	2.5
93.03329	5.0
95.01248	1.5
96.95874	3.0
101.02313	2.8
109.02822	2.1
113.02313	1.8
119.03408	1.4
120.01128	17.5
121.02853	11.8
122.03639	13.9
122.06019	1.4
123.04449	1.9
124.01607	1.7
132.02005	0.9
133.02824	3.1
134.03624	2.6
135.04417	8.6
136.01541	21.0
137.02365	4.9
138.03058	1.2
147.04387	2.3
149.02341	32.2
149.05981	2.3
150.03125	100.0
151.00273	5.7
151.03915	24.2
152.01001	1.6
153.05392	1.1
160.01608	2.0
160.05249	1.6
161.02386	1.9
161.05943	1.1
162.03069	2.1
163.03912	4.0
164.04715	6.8
165.05476	97.4
166.02638	15.5
166.05777	5.3
166.13205	1.0
167.03340	2.6
175.03943	5.1
177.05502	2.3
180.04199	6.1
181.04973	19.3
189.05521	3.8
190.02713	1.4
190.06311	8.0
195.06543	62.6
196.06895	2.4
205.05017	2.0
205.08673	1.5
243.34532	1.0
271.05899	1.2
297.07657	1.5
301.11108	1.1
315.08881	2.1
329.10318	3.4
355.38440	1.1
356.12637	2.1
357.09589	5.2
357.13409	10.3
369.13388	1.3
372.12189	3.2
387.14471	50.8
388.14899	3.1
505.18588	3.6
535.19714	65.4
536.19769	10.5
553.20569	3.1
565.20892	3.0
566.11414	1.1
583.21680	39.9
584.22357	9.0
675.26196	1.2
681.21820	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	745.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84413	0.7
55.01760	1.1
57.03324	1.3
58.00473	5.8
59.01250	100.0
60.01589	1.5
60.99157	0.7
61.98706	3.2
69.44133	1.4
69.44540	4.1
71.01251	80.3
71.47832	0.7
72.01587	0.6
72.99174	6.4
73.02823	1.9
83.01269	2.6
85.02826	11.5
87.00741	5.5
88.98692	2.9
89.02316	92.9
90.02653	1.0
93.03328	1.2
94.51385	0.7
95.01269	5.1
96.87927	0.7
97.70442	0.8
99.00762	0.8
99.04402	1.1
101.02322	34.3
102.02692	1.1
106.65753	0.6
108.02063	1.1
109.02862	1.7
113.02334	27.3
114.02761	0.7
117.03358	1.5
119.03387	36.3
120.03766	0.8
121.02864	3.4
122.03668	3.3
123.04415	0.8
125.02326	1.9
131.03407	4.8
133.02821	2.0
134.03622	2.0
135.04427	1.6
136.01563	17.3
137.02333	2.5
143.03394	7.8
144.74387	0.7
145.02853	10.1
146.03612	2.8
147.04500	0.8
149.02357	4.8
149.04482	2.8
150.03125	22.6
151.00305	6.4
151.03925	17.2
159.81168	0.9
160.05240	1.2
161.02368	7.5
161.04443	6.0
161.05765	1.1
162.03136	38.1
163.03717	2.2
165.01768	1.0
165.05482	26.2
166.02632	16.7
166.05730	0.7
167.03224	0.8
175.03969	2.0
177.01990	1.0
177.05481	20.0
179.05525	20.9
180.04248	3.3
181.04964	16.7
189.05502	1.0
190.06299	1.8
193.23686	0.7
195.06554	24.6
301.03458	4.9
311.09311	0.7
329.10306	1.1
357.09830	2.7
357.13327	2.7
372.12222	2.3
387.14511	14.6
388.14923	1.1
547.19781	9.1
548.20502	1.1
583.21851	4.5
648.27130	0.8
745.15778	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	741.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72050	1.0
59.01243	4.6
59.32599	1.1
61.98703	58.5
71.01253	4.6
78.95772	3.9
80.02553	1.2
83.04904	4.2
87.00735	3.7
89.02332	4.0
95.01129	1.1
99.62850	1.0
101.02326	3.9
106.91727	1.0
125.09595	1.6
127.11160	3.0
134.83174	1.1
135.08073	1.3
142.96696	1.2
147.73889	1.2
152.99481	2.5
155.10582	1.1
161.04433	1.2
163.11134	2.2
165.12730	1.1
171.10141	2.0
181.12302	1.2
201.11261	43.1
202.11574	2.0
209.11775	100.0
210.12131	5.1
226.74426	1.0
227.12852	11.4
235.08205	3.1
253.09280	14.2
253.21642	1.9
277.21725	72.0
278.22021	9.8
281.24780	1.9
358.16653	1.2
364.19727	1.1
397.13782	1.3
399.14114	2.4
437.20160	1.7
443.31754	1.5
445.20654	2.2
461.32645	1.6
505.25671	4.4
707.94598	1.2
741.46765	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	741.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.9
60.13835	0.4
71.01226	0.5
78.95776	36.5
83.04898	0.4
96.02520	0.3
96.96835	3.2
97.28947	0.3
98.19829	0.7
120.46381	0.4
126.76763	0.3
141.01608	1.9
144.16599	0.4
150.97939	0.6
152.99493	54.0
153.99808	0.5
168.39076	0.4
171.00569	4.4
181.42862	0.4
209.02156	0.6
217.00247	0.9
227.03214	5.7
231.21239	0.6
232.97484	1.4
233.22838	0.7
240.07129	0.4
245.04208	1.9
250.72798	0.4
253.21709	22.8
254.22002	2.2
255.23271	7.5
256.23712	0.8
259.20557	0.4
275.20111	2.4
277.21722	100.0
278.22083	8.3
279.23282	1.4
280.23605	1.2
281.24734	1.3
314.98114	0.6
319.41364	0.4
413.20786	2.1
414.21600	0.5
443.79886	0.4
483.27219	3.5
487.25082	1.0
505.25732	72.4
506.26010	9.1
566.26758	0.5
596.62341	0.4
647.69250	0.5
741.47101	20.3
742.47626	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	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
61.98700	100.0
62.98391	0.1
63.15296	0.1
71.01263	0.2
89.02302	0.2
95.62579	0.1
97.84227	0.1
99.98293	0.1
101.02336	0.2
126.32592	0.1
161.04549	0.1
279.23407	0.3
280.23703	0.3
281.24036	0.2
345.29584	0.1
398.14001	0.3
399.14145	0.3
417.15005	0.1
694.06573	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	740.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04893	0.1
54.94427	0.1
59.01247	0.3
61.98701	100.0
62.98407	0.1
81.03345	0.1
83.04899	0.3
86.15342	0.1
112.58546	0.1
124.47925	0.1
128.85986	0.1
156.63220	0.1
202.23338	0.1
224.17592	0.1
226.16443	0.1
227.16608	0.1
229.15721	0.1
316.69363	0.1
678.50702	0.2
679.49780	0.7
680.50568	1.6
740.49237	1.7
740.61334	0.1
741.49969	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	741.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19354	1.4
59.01248	4.1
61.95872	1.2
61.98705	14.3
71.49931	1.3
71.50381	2.0
77.03861	2.2
78.95777	3.1
80.20674	1.2
99.08166	1.2
121.02844	100.0
122.03176	3.4
127.05231	1.2
130.03278	1.3
141.01590	2.4
151.63528	1.2
152.99483	2.6
165.01848	81.4
166.02197	3.2
174.30476	1.3
174.77977	1.2
181.06511	2.2
191.03412	1.4
209.11798	3.7
253.21593	1.7
277.21674	5.7
286.73221	1.4
293.21347	1.3
313.07013	1.9
344.26022	1.5
357.06219	14.1
505.25705	6.7
549.10895	1.4
741.14154	4.9
742.14166	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	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.2
61.98729	0.6
67.35545	0.5
71.01254	5.2
71.05486	0.9
71.05820	0.8
78.95775	5.0
83.04905	1.0
87.00771	1.2
89.02322	2.3
95.01227	1.0
95.04893	2.4
97.02832	1.2
101.02300	3.0
109.06470	2.0
110.03651	1.2
110.59042	0.6
111.04422	0.7
113.02327	1.9
119.03394	1.0
127.11172	1.1
143.03377	0.9
150.14502	0.5
152.99501	2.5
153.09036	0.7
153.13016	0.5
161.04456	2.0
161.09650	0.7
163.11169	3.4
169.12189	0.7
171.10173	100.0
172.10507	4.6
179.05583	0.7
181.12262	1.4
189.09116	1.8
197.11757	2.3
199.13354	1.3
201.11264	0.8
207.10197	7.2
225.11266	43.1
226.11702	1.4
235.08228	3.8
243.12268	2.7
253.09273	9.2
277.21707	78.4
278.22037	6.9
293.21384	1.2
407.19141	2.8
429.20480	0.7
443.19089	2.7
444.19611	0.7
445.19971	0.7
461.20377	8.6
721.41705	3.2
722.41821	0.8
739.42218	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.6
61.98693	2.8
69.00713	0.6
71.01250	3.9
71.20885	1.3
73.02795	1.3
78.95776	5.2
83.01234	0.8
84.87292	0.6
87.00726	1.2
89.02319	2.1
95.04898	1.1
97.02817	0.9
101.02326	3.1
107.21876	0.6
109.06467	0.7
110.03627	0.6
113.02362	1.3
125.09602	0.7
127.11172	0.8
145.04901	1.3
152.99454	2.3
161.04480	1.8
161.09685	0.7
163.11145	1.6
171.10182	63.1
172.10530	2.7
189.09122	0.8
197.11816	1.5
207.10135	4.2
211.65715	0.6
225.11267	23.6
226.11646	1.2
235.08168	7.4
243.12384	2.5
253.09219	9.2
254.09598	0.7
275.47659	0.6
277.21713	100.0
278.22089	9.5
279.23358	1.5
280.23386	0.7
407.19336	1.4
443.19214	2.9
461.20065	1.7
513.30780	0.9
713.06445	0.8
721.41809	2.7
739.41541	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	738.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
61.98700	100.0
62.98409	0.1
62.99141	0.1
71.01259	0.1
72.25752	0.1
73.71815	0.1
78.95789	0.1
87.00782	0.1
89.02316	0.1
99.35911	0.1
101.02338	0.1
130.43507	0.1
130.53511	0.1
276.73495	0.1
277.21884	0.1
278.22122	0.2
279.23172	0.4
397.13278	0.1
398.13864	0.2
399.14029	0.2
417.15308	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46210	0.1
59.01259	0.3
61.98704	100.0
62.98389	0.2
63.75080	0.1
71.01216	0.1
71.27118	0.3
79.58212	0.1
94.40826	0.1
104.21851	0.1
155.16670	0.2
191.27744	0.1
195.45866	0.1
267.01627	0.2
278.22321	0.3
344.87500	0.2
399.14172	0.2
416.15338	0.2
453.29984	0.2
629.48669	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	738.5085
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
59.01244	5.1
61.98690	1.8
70.71872	1.3
70.72278	1.5
77.49464	0.6
78.95778	19.3
80.96371	1.0
81.30283	0.6
95.21815	0.6
96.96822	1.7
116.49815	0.6
141.01611	4.4
152.98328	1.3
152.99489	14.9
171.00533	0.9
233.94344	0.6
246.91905	0.7
255.23264	1.8
266.89825	0.6
277.21725	11.4
278.22177	1.1
279.23273	100.0
280.23630	9.5
281.24814	9.9
409.98959	0.8
458.26563	3.0
476.27835	1.5
502.66937	0.7
738.50775	38.8
739.51257	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	739.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19884	1.2
59.01255	12.3
61.98703	8.0
62.86731	1.1
65.00182	1.3
71.01254	12.0
71.50371	1.9
72.99184	4.8
73.02821	2.8
75.00757	7.1
75.36325	1.3
78.95782	6.5
83.01273	2.2
83.53676	1.3
85.02840	7.9
87.00759	4.5
88.98723	1.9
89.02292	2.0
94.94061	1.4
95.01315	1.5
96.95892	11.2
96.96835	2.8
98.95475	1.6
99.00755	4.4
100.52697	1.3
101.02322	2.3
101.06502	1.1
103.00248	1.7
107.01276	1.8
109.02836	9.7
111.00745	1.3
113.02340	12.9
115.00264	1.5
117.01815	1.8
124.01558	58.0
125.02232	1.3
131.04848	1.8
131.16684	1.2
136.01582	3.6
139.03908	100.0
140.04214	2.6
143.42615	1.2
147.04434	2.1
149.05956	7.0
165.01872	2.1
171.10202	1.3
175.02394	5.4
175.03900	42.6
177.01747	1.4
178.02657	9.2
190.02707	1.3
193.03540	1.9
193.04991	33.1
193.06766	1.6
194.05165	1.3
209.11766	3.4
210.01601	5.0
279.23041	1.4
297.07858	1.6
315.08734	39.2
316.09036	2.9
428.31711	1.4
519.15051	12.7
520.14685	1.5
555.13135	1.9
633.32538	1.5
663.31976	1.5
695.18323	43.7
696.18750	8.2
738.34888	1.6
739.34326	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	737.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39288	1.4
55.82970	1.5
56.10100	1.3
57.03307	3.3
58.00468	2.8
59.01251	100.0
61.98703	6.7
69.24490	15.8
71.01254	53.6
72.99172	4.5
73.02813	5.5
78.95782	3.7
83.01258	4.1
85.02819	18.1
87.00765	4.2
89.02316	32.6
95.01254	7.4
96.95885	2.4
97.02811	1.6
98.19794	2.8
99.00787	2.1
101.02322	28.1
101.02939	2.6
111.00752	1.4
113.02331	29.3
119.03375	15.2
125.02343	3.0
131.03476	1.9
138.72276	1.5
143.03381	4.6
145.47783	1.4
149.04419	1.8
159.02774	1.3
161.04491	8.7
179.05534	7.3
223.07213	1.7
256.85388	1.3
353.10074	1.5
375.87668	1.5
471.33246	6.7
489.34451	2.6
499.91006	1.5
633.38531	54.0
634.39233	9.2
651.39575	47.2
652.39954	7.7
693.40527	17.6
694.40479	3.1
738.33954	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	737.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
58.00461	2.2
59.01251	100.0
61.98702	4.7
63.79291	1.1
71.01254	49.0
71.20515	1.0
71.29549	1.8
72.99179	4.0
73.02811	6.0
77.76541	1.3
78.95771	4.7
83.01264	2.9
85.02821	16.9
87.00750	3.6
89.02321	33.3
95.01267	5.1
96.95879	2.6
97.02811	1.2
99.00719	1.7
101.02326	24.8
111.00800	2.5
113.02330	28.6
119.03387	11.4
125.02341	2.5
125.46497	1.0
131.03397	1.6
143.03423	3.9
149.04405	1.4
161.04478	7.0
179.05530	6.9
181.52483	1.0
471.33237	7.1
489.34607	2.3
632.22388	1.4
633.38586	59.9
634.38867	10.6
651.39594	52.1
651.50659	2.6
652.39832	4.9
693.40552	18.9
694.41138	2.7
738.34521	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
55.20799	0.5
57.03309	0.9
58.00472	0.5
59.01247	8.0
61.98693	0.6
69.03323	4.2
69.86903	2.1
69.87321	1.0
71.01254	6.9
71.04889	2.1
72.99169	0.6
73.02810	1.5
78.95781	0.9
83.01229	0.5
83.04881	0.6
85.02831	1.9
87.00747	0.8
88.98677	1.4
89.02326	4.0
95.01247	0.6
97.02802	0.6
97.06480	0.9
99.00795	0.7
101.02324	4.0
109.06419	0.6
113.02324	2.1
123.08054	1.5
125.09618	2.3
137.09660	0.7
151.11211	2.3
153.12735	2.1
161.04469	1.1
161.09592	2.8
169.12257	1.3
179.10695	7.4
180.11070	0.5
197.11765	100.0
198.12117	5.9
202.64087	0.5
205.08691	1.1
223.09695	2.2
235.08073	0.7
241.10828	4.8
253.09328	3.8
277.21735	30.5
278.22122	3.9
279.23312	1.2
459.18774	1.4
477.19638	1.9
719.40454	1.0
737.41150	99.9
738.41467	21.3
741.66931	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83601	0.4
53.33674	0.4
55.01736	0.5
57.03318	0.9
58.00451	0.4
59.01247	6.6
59.51001	0.4
61.98690	0.8
63.11804	0.4
63.80791	0.4
63.96674	0.4
64.82378	0.4
69.03323	5.4
71.01244	5.6
71.04885	1.8
71.05645	0.9
72.99159	0.7
73.02807	1.0
78.95761	0.8
83.01254	0.7
83.04874	0.7
85.02834	1.5
87.00740	1.0
89.02329	2.1
91.83792	0.5
95.01282	0.8
97.06470	1.2
99.00726	0.7
101.02315	4.2
104.45786	0.4
107.14887	0.4
108.09772	0.4
109.06435	0.4
111.04436	0.5
113.02318	1.7
119.03406	0.7
123.08037	1.3
125.09592	2.3
129.45042	0.4
138.49632	0.4
143.03453	0.6
145.04939	0.6
149.09587	0.6
151.11176	3.2
153.12727	1.2
161.04437	0.8
161.09616	5.0
169.12262	1.9
179.10699	9.1
180.11011	0.8
197.11757	48.8
198.12019	3.1
203.96248	0.4
206.75850	0.4
218.85454	0.5
223.09706	1.7
235.08214	1.1
241.10814	1.7
253.09232	3.6
275.19955	0.5
277.21704	60.5
278.22064	6.2
279.23169	0.5
287.56354	0.4
424.21011	0.4
459.18826	1.2
475.27252	0.4
477.19724	1.5
575.35809	0.4
737.41144	100.0
738.41455	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
55.77386	0.2
57.03309	1.2
58.00463	1.4
59.01249	100.0
60.01584	1.3
61.98700	2.6
62.74919	0.2
66.64090	0.2
69.03340	0.8
71.01252	32.1
71.49422	0.2
72.01578	0.6
72.99181	2.1
73.02818	7.3
74.03162	0.3
75.00747	0.4
78.95790	0.7
81.03324	0.3
83.01258	3.4
85.02821	12.7
86.03165	0.3
87.00755	2.5
89.02316	13.5
90.02661	0.3
95.01262	3.9
96.95898	0.6
97.02823	1.7
99.00739	2.0
99.04384	0.3
101.02319	15.4
103.03890	0.2
109.02772	0.2
111.00752	0.7
111.89365	0.2
112.01591	0.3
113.02329	27.5
114.02637	0.8
115.03900	0.3
119.03400	5.1
124.01559	2.4
125.02346	3.6
131.03372	1.2
139.00264	0.3
142.02605	0.3
143.03401	3.5
149.04434	0.8
161.04469	6.7
175.03868	0.3
179.05557	2.5
179.53490	0.2
185.04379	0.3
185.15321	0.3
203.05536	0.4
221.06485	0.3
221.15974	0.2
223.69733	0.3
227.12712	0.2
266.87097	0.3
347.20612	0.3
419.10733	0.3
437.22861	0.2
453.31735	0.8
471.33279	6.2
472.33411	1.2
489.33701	0.9
491.11084	0.3
495.32742	0.5
513.33795	0.6
567.34723	0.3
579.34607	0.6
597.36377	1.1
615.37390	9.4
616.37683	1.8
631.36371	0.4
633.38544	28.5
634.38824	5.3
651.39532	9.5
652.39697	1.9
669.98737	0.3
675.39600	7.2
676.40204	1.6
693.40656	11.1
694.41028	2.6
735.41089	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	736.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	16.6
61.98703	17.8
62.58847	1.8
70.06676	8.9
71.01252	8.3
80.04939	6.1
84.03942	1.9
85.02816	3.7
89.02323	3.2
94.06510	1.9
96.95885	9.4
101.02332	3.6
105.96303	1.6
106.06510	3.5
107.03641	3.3
107.84151	1.6
113.02354	3.8
122.06004	30.2
134.05975	10.0
145.72116	1.8
148.03934	3.4
152.07083	43.3
160.06299	2.9
174.05415	2.4
180.06569	2.0
188.07095	4.2
188.19582	1.8
190.04990	3.1
212.47443	1.9
213.10289	7.5
225.10358	2.8
225.27357	2.2
226.11078	2.5
227.11682	1.8
239.11824	6.6
241.13432	5.8
245.12964	5.5
248.03094	1.9
253.09808	4.4
265.09866	5.1
267.11612	2.4
278.06821	3.6
279.07773	3.2
279.11490	2.2
285.12436	23.6
286.12994	2.0
293.09311	13.1
293.12909	7.1
294.10010	3.2
295.10828	10.8
307.10815	2.4
313.11752	2.7
323.10327	4.7
337.08325	7.2
339.09680	3.5
343.13361	2.3
358.15659	4.3
400.16650	8.1
412.16718	4.1
424.16321	1.9
432.19159	2.2
444.15247	2.2
459.17838	5.1
460.18704	10.3
474.20602	2.7
476.18106	2.7
503.16940	2.3
504.17792	12.9
505.18762	2.6
518.19202	7.8
536.19946	2.4
550.21985	11.7
565.24481	23.4
566.24579	3.3
597.26971	6.8
609.23633	15.4
610.23578	2.6
632.37000	2.2
641.26111	100.0
642.26611	20.5
649.51001	1.9
650.38538	2.8
673.28796	47.8
674.29108	13.9
692.38879	2.0
704.26349	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	734.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.01600	0.4
57.03325	0.5
58.00462	1.2
59.01250	30.7
60.01578	0.7
61.98705	2.5
71.01253	12.8
71.49350	0.7
72.99181	1.4
73.02819	1.7
75.00743	0.5
83.01249	1.3
85.02823	4.4
85.15664	0.4
86.07782	0.4
87.00755	0.4
89.02321	9.5
89.02852	0.7
95.01266	0.7
96.95883	1.1
97.02798	0.4
99.00775	0.5
101.02327	6.4
102.05452	0.9
113.02329	4.2
119.03398	3.3
121.02867	0.6
127.04944	0.5
128.03423	1.1
130.08632	87.3
131.08949	2.6
135.04395	1.2
136.01587	1.0
137.02332	0.4
143.03400	1.0
146.03545	0.6
146.04578	0.5
147.04497	0.5
148.04111	0.5
148.05188	2.6
149.02374	1.3
150.03130	3.1
151.03954	2.1
161.04478	0.9
164.04668	0.5
165.05486	2.1
166.02614	1.1
166.86565	0.4
178.04976	1.7
179.01526	0.4
179.03133	0.4
179.05502	1.3
180.04179	0.8
181.04985	1.3
190.05023	0.8
195.06538	1.3
297.10089	0.6
301.03555	0.8
306.20853	0.4
312.09131	0.6
312.12430	6.5
313.12827	0.6
324.21832	0.6
356.15045	1.0
378.22974	0.5
468.25851	3.9
469.26385	0.6
486.27078	7.5
487.27615	1.5
508.19864	0.6
510.27130	7.2
511.27435	1.2
528.28119	100.0
529.28461	13.4
690.37946	1.5
731.49750	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	735.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.8
57.03314	3.3
58.00465	3.0
59.01250	100.0
61.98703	18.4
67.13380	1.5
70.94819	1.6
70.97675	2.9
70.98006	3.2
71.01251	57.8
72.01598	1.6
72.99155	4.9
73.02831	8.9
78.95761	3.9
83.01247	3.0
85.02824	22.4
87.00751	5.0
89.02322	38.6
95.01259	5.1
96.95872	4.1
101.02322	27.8
113.02325	37.4
119.03378	16.0
125.02312	3.9
128.56599	1.8
143.03395	6.4
150.02965	1.8
161.04468	11.2
179.05524	10.1
299.89996	1.6
398.59521	1.7
469.31506	5.0
505.33701	1.9
631.36926	52.8
632.36932	10.4
633.39130	4.3
649.38013	49.9
650.38422	8.1
691.39142	12.6
704.97791	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	729.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98701	4.0
69.69882	4.4
69.70294	2.0
71.01250	18.6
72.99200	1.1
73.02822	9.6
74.55824	1.1
75.17189	1.0
77.01864	1.1
78.95794	1.8
78.97959	1.0
83.01256	3.7
85.02833	6.7
88.98740	1.1
89.02317	5.4
95.01296	1.8
96.95886	2.4
98.20465	1.5
99.00780	1.9
101.02326	11.3
113.02328	8.6
119.03386	2.8
130.76501	1.2
137.05988	1.7
151.07570	2.1
159.02954	1.3
161.04433	5.8
204.17532	1.1
315.18094	5.5
327.21719	2.7
357.19214	3.1
372.88568	1.1
515.99689	1.2
583.31067	1.7
619.04602	1.5
628.93726	1.4
669.38409	1.5
685.38068	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	730.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61249	0.3
59.01240	0.3
61.98703	100.0
71.49912	0.3
71.50306	0.3
73.09536	0.3
78.95774	0.3
80.96404	1.2
84.50400	0.2
101.02293	0.3
103.22235	0.3
113.97515	0.3
125.09651	0.3
171.10204	1.6
172.10574	0.8
173.10811	0.4
178.02458	0.3
225.00845	0.5
244.87584	0.2
277.21732	0.5
278.22095	0.5
279.22458	0.4
292.23145	0.3
293.18002	0.3
332.83368	0.3
439.70334	0.3
504.11588	0.3
571.22058	0.4
731.36365	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	730.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64745	0.2
59.01240	0.5
61.98702	100.0
71.41686	0.5
78.95792	0.4
80.96401	0.7
113.02995	0.3
127.92036	0.3
133.57396	0.3
171.10178	1.3
172.10490	0.8
173.10725	0.3
188.19731	0.3
255.23212	0.3
277.21811	1.0
278.21985	1.3
279.22366	0.7
730.46423	0.3
731.36310	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	733.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71907	2.2
59.01243	44.2
61.98696	6.9
64.93736	2.2
71.01249	35.8
71.49653	4.2
73.02828	4.3
75.00764	3.8
78.95773	9.5
82.41650	2.8
83.01242	3.3
85.02821	5.9
87.00754	5.2
89.02317	28.3
97.02834	5.9
99.00725	2.8
101.02316	28.6
113.02328	15.2
118.23989	2.5
119.03396	7.9
125.02338	8.4
143.03435	3.5
152.99464	4.2
161.04448	7.1
179.05531	5.2
211.13333	20.1
221.06549	3.3
235.08170	13.4
253.09081	3.7
255.23375	5.4
267.56180	2.8
275.20151	65.9
276.20535	7.0
287.07578	4.0
305.08646	4.4
397.13446	100.0
398.13809	10.2
415.14511	38.7
424.50940	2.6
541.40924	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	733.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29171	0.2
51.58975	0.2
55.01755	0.9
57.03318	1.4
58.00460	1.2
59.01247	100.0
60.01582	1.1
61.98695	1.6
63.43937	0.2
69.03322	0.8
71.01250	34.8
71.49686	0.3
72.01600	0.6
72.99164	1.9
73.02814	9.6
74.03137	0.2
75.00738	0.6
78.95772	0.6
81.03322	0.6
83.01260	4.0
84.02028	0.3
85.02820	13.6
86.03178	0.3
87.00748	2.9
89.02316	14.8
90.02687	0.2
90.38972	0.2
95.01258	4.5
96.95885	0.2
97.02828	1.7
99.00750	1.7
101.02319	18.4
102.02670	0.3
105.92056	0.2
111.00748	0.7
112.01550	0.7
113.02327	31.2
114.02684	0.6
115.03854	0.3
116.92748	0.3
118.36108	0.2
119.03385	5.8
124.01577	1.6
124.73973	0.2
125.02329	4.4
127.91640	0.2
129.01860	0.2
131.03377	1.4
141.01778	0.3
142.02551	0.3
143.03398	4.9
149.04434	0.9
155.03372	0.4
161.04462	9.0
179.05519	3.3
203.05573	0.6
209.11691	0.3
221.06715	0.3
253.09222	0.2
274.03525	0.2
451.30688	0.7
469.31677	7.3
470.31961	0.8
487.32587	0.6
493.31616	0.2
511.32944	0.7
553.33881	0.3
559.57263	0.2
565.33624	0.3
567.35205	0.3
577.33679	0.7
595.34894	1.1
604.33582	0.2
613.25903	0.4
613.35870	7.8
613.85297	0.2
614.36426	1.5
629.35187	1.2
631.36951	33.5
632.37292	5.5
647.36432	1.0
649.37976	12.7
650.38287	2.2
673.20282	0.3
673.37939	4.3
674.38776	1.0
691.39020	9.2
692.39166	2.2
733.39911	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	727.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69496	0.8
55.01764	0.8
56.23703	0.7
57.03308	1.4
58.00454	1.4
58.73996	0.8
59.01251	22.1
61.98693	2.6
66.63416	0.6
69.03328	2.0
71.01254	16.7
71.49202	0.8
71.49609	0.8
72.99172	2.4
73.02826	1.4
80.86640	0.7
81.03312	1.0
83.01279	1.1
83.04929	1.0
85.02823	6.2
87.00788	1.2
88.98730	0.7
89.02327	7.2
95.01251	3.2
96.95889	4.4
101.02335	6.4
108.02052	45.4
109.02856	11.6
113.02316	4.5
113.27076	0.7
119.03381	2.0
120.01155	4.7
121.02860	1.1
123.00748	1.1
125.02350	2.9
133.02814	1.1
134.03632	1.2
135.04376	2.5
149.63489	0.8
151.00290	1.0
151.03836	1.9
152.01056	80.4
152.07059	1.5
153.01855	14.1
161.04451	1.0
161.13257	2.5
163.03880	2.4
165.01819	1.8
175.03932	1.9
181.05022	1.2
187.11208	2.8
205.12224	2.1
208.88043	0.7
297.06183	3.1
309.20706	0.9
310.21170	0.8
313.11560	0.9
315.07239	15.2
315.10843	0.6
316.07413	1.1
321.42831	0.9
335.12448	0.8
369.76044	0.8
376.40875	0.8
412.71851	0.7
503.19073	5.6
547.18103	8.1
565.19482	1.0
617.49701	0.7
620.96301	0.8
667.38812	2.7
685.39801	1.1
691.47144	0.8
727.24542	100.0
728.24982	19.0
728.34723	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	729.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.7
57.03349	1.5
58.00470	1.0
58.85028	1.0
59.01250	100.0
60.01568	1.4
61.98702	4.2
69.48800	6.3
69.49202	1.4
71.01251	20.7
71.94838	1.0
73.02813	10.0
78.95766	1.6
83.01276	3.2
85.02824	7.6
87.00737	1.2
87.29391	1.0
87.59075	1.0
89.02308	5.8
95.01270	2.1
96.95918	3.3
98.19898	1.4
99.00781	1.5
101.02328	11.3
110.66437	1.1
113.02319	10.8
119.03384	1.9
136.05205	1.5
137.05959	1.4
149.06075	1.0
151.07535	2.2
161.04472	5.4
211.13518	1.0
276.38565	0.9
315.18015	7.6
327.21793	2.8
328.21765	1.1
357.19046	2.1
481.35422	1.3
549.89368	1.0
583.31006	1.7
627.33545	1.6
628.34546	1.3
669.38190	1.8
729.39752	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	727.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
55.40425	0.3
56.79234	0.3
59.01249	18.1
61.62313	0.4
71.01243	1.8
71.38605	0.3
71.40379	0.6
71.47054	0.4
73.02817	0.5
73.99486	0.4
78.95781	0.7
85.02825	0.9
87.00718	0.7
89.02327	1.6
93.59324	0.4
101.02329	1.6
107.01021	0.4
113.02323	1.4
125.09621	1.3
127.11182	1.3
145.04996	0.6
152.99501	0.6
161.04445	0.9
171.10182	87.1
172.10515	4.2
179.05492	0.6
193.69829	0.4
209.11748	3.4
235.08237	3.7
253.09264	7.6
277.21713	100.0
278.22055	9.4
281.24847	4.3
282.25085	0.6
407.19232	0.9
496.69672	0.5
513.30609	0.9
750.39215	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.6
70.24660	0.7
71.01256	1.7
73.02792	0.2
77.65405	0.2
85.02839	0.3
87.00733	0.3
89.02331	1.2
96.96799	0.2
101.02325	1.6
113.02332	0.9
119.03404	0.3
124.67033	0.2
125.09590	0.8
127.11182	1.6
133.04919	0.2
153.09082	0.5
161.04466	0.8
171.10179	100.0
172.10539	4.9
179.05592	0.4
209.11726	0.4
218.45668	0.2
220.97357	0.2
235.08189	1.4
253.09276	5.4
277.21719	46.1
278.22043	4.8
281.25006	0.4
407.19223	2.8
513.30609	0.4
548.15015	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	727.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.6
58.00477	0.9
59.01251	19.5
61.98701	3.1
69.03330	2.2
69.51147	2.2
69.51550	1.4
71.01257	15.1
72.99178	2.1
73.02803	1.0
75.00772	0.6
77.02767	0.5
81.03337	1.0
83.01283	1.0
85.02824	6.4
87.00774	0.5
89.02324	6.2
93.03335	1.4
95.01257	3.3
95.04932	0.5
96.95906	1.6
97.02826	1.2
99.00757	1.1
101.02319	6.0
107.04948	0.8
108.02052	44.7
109.02867	14.4
111.00753	0.6
113.02329	5.0
116.92757	0.6
119.03407	1.5
120.01120	3.4
121.02901	1.0
121.43216	0.4
123.00784	1.7
123.04389	0.8
124.30937	0.5
124.76855	0.5
125.02332	2.0
127.96992	0.5
133.02864	0.7
134.03633	1.5
135.04414	2.0
137.02400	0.5
145.02867	0.6
149.05998	0.7
149.98611	0.6
151.00229	1.1
151.03928	1.1
152.01059	80.1
152.07053	1.1
153.01851	13.9
154.02231	0.9
160.01556	0.6
161.02306	0.9
161.04446	0.9
161.13261	3.3
163.03925	1.8
165.01810	1.8
172.08879	0.5
175.03920	1.0
177.01883	0.9
179.03423	0.8
181.04970	0.6
187.11235	3.1
191.05585	0.9
205.12317	2.4
207.02988	0.8
234.96947	0.5
297.06149	3.2
309.20767	0.6
315.07220	16.7
315.10666	0.8
316.07419	0.9
331.38107	0.5
335.12589	1.3
476.15128	0.5
477.63986	0.6
503.19238	6.9
547.18018	6.6
548.18506	0.9
565.19708	1.6
566.20874	0.7
606.32349	0.7
623.37250	0.6
727.24530	100.0
728.24896	19.4
728.37927	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	725.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	36.7
61.98702	7.5
69.29438	1.0
71.01254	20.1
71.50196	1.4
73.02820	5.8
74.23945	1.1
79.95603	2.7
83.01267	3.0
83.12203	0.9
85.02834	6.6
86.12473	0.8
87.00748	2.6
89.02322	12.0
95.01266	2.5
96.00824	1.4
96.95884	19.0
97.02819	3.1
99.00752	1.7
101.02322	17.9
113.02328	11.0
117.03323	1.6
119.03374	4.5
125.02357	2.4
127.04994	1.9
128.03413	1.1
130.08611	1.5
131.03392	2.0
132.02060	8.4
133.02811	2.8
134.03645	9.4
135.04474	1.3
143.03394	2.1
148.03854	1.0
149.05992	1.2
160.01567	26.2
161.02367	10.2
161.04417	5.8
163.11182	3.0
175.03926	20.3
179.05487	2.1
193.04980	3.7
199.04254	1.0
207.10271	5.1
221.06604	3.6
245.04555	1.9
257.04593	2.1
273.07907	1.0
287.05621	2.3
288.06213	1.1
289.07217	2.3
315.05093	2.9
369.15268	1.1
387.10974	1.1
387.16559	3.3
409.08405	0.9
483.10226	1.0
503.31815	1.1
531.20978	2.9
547.12573	1.2
549.21863	100.0
550.22235	13.1
562.14709	2.4
563.15570	7.4
564.16107	1.2
605.17450	1.3
665.37689	7.7
666.38000	1.5
683.38190	4.8
703.33710	6.5
703.83472	2.7
725.27441	40.3
725.38702	1.5
726.27179	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.8
58.00452	3.9
59.01250	66.2
71.01258	51.2
71.01604	1.0
71.01661	1.7
72.61491	1.3
72.99179	4.6
73.02835	3.2
79.05371	1.9
82.10733	1.4
83.01249	2.5
83.04884	1.3
85.02831	10.6
87.00736	3.5
87.18230	1.5
89.02316	49.2
95.01273	3.7
98.19758	2.5
99.04422	3.9
101.02320	23.8
107.04889	2.5
113.02332	18.2
115.00295	1.8
119.03391	19.7
128.03435	2.4
133.01326	3.4
133.04961	2.2
135.04482	2.1
142.29817	1.4
143.03395	3.6
143.04472	3.0
150.05475	1.5
151.06030	15.0
159.11662	1.6
161.04486	3.2
161.13252	16.2
175.11357	1.5
179.05592	12.3
185.13246	3.2
187.11218	32.7
203.14355	3.7
205.12274	20.4
206.12630	1.5
217.07082	1.7
219.13837	2.3
229.10335	1.4
229.12276	9.1
229.95325	1.9
247.13333	4.9
249.11334	8.3
279.78879	1.5
291.12338	4.2
295.10361	4.3
306.07657	4.7
307.07993	2.2
313.11417	26.6
314.11847	1.9
414.35245	1.5
441.79874	1.3
501.23364	4.2
545.22412	100.0
546.22675	12.7
690.50891	1.6
725.28711	83.0
726.29388	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	725.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.4
57.03311	1.4
57.33465	0.8
58.00458	4.0
59.01250	69.1
61.98695	1.1
69.34871	1.7
69.35275	6.6
71.01253	53.2
72.99174	5.9
73.02805	3.0
75.00726	1.0
78.78828	0.8
83.01250	3.2
83.04900	1.2
85.02825	12.9
87.00747	3.7
89.02319	53.3
93.03323	1.2
95.01266	3.1
95.04911	1.1
96.95885	2.1
97.02850	1.1
99.00708	0.9
99.04391	5.3
101.02320	28.2
107.04943	1.8
111.04380	2.2
113.02325	17.4
113.05982	0.9
119.03388	18.9
131.03369	2.0
133.04955	2.6
134.03630	1.2
135.04401	2.5
138.15343	1.0
143.03400	2.6
149.04515	1.5
149.05914	1.2
151.06032	17.2
156.60014	1.0
161.02393	1.5
161.04462	3.8
161.09625	1.2
161.13264	15.1
162.13568	1.4
172.08789	1.4
175.06036	1.5
179.05515	10.8
185.09755	1.6
185.13263	3.1
186.25363	0.9
187.11217	28.1
187.12871	2.0
188.11494	1.6
193.04871	0.8
201.12698	0.9
203.14357	3.9
205.12285	20.0
206.12535	1.1
219.13858	2.1
225.38972	1.0
229.12267	7.9
230.12575	0.9
231.10272	2.4
247.13303	5.4
249.11339	11.1
259.94495	0.9
291.12396	3.9
295.10397	3.4
313.11401	17.8
351.13895	1.1
501.23593	2.7
534.81476	0.9
545.22388	100.0
546.22723	12.9
552.21185	0.8
563.22479	1.3
725.28729	87.7
726.28979	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	721.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	14.2
61.45900	0.8
66.91318	1.0
71.01243	7.9
71.16486	1.3
73.02807	1.4
83.04897	0.9
85.02834	1.8
87.00763	2.1
89.02311	5.4
89.19583	0.8
95.01281	2.3
95.04903	4.4
97.02826	5.3
97.06537	1.0
98.19836	0.9
99.00723	0.9
99.04398	1.1
101.02326	6.3
106.04139	1.2
109.06483	8.5
110.03622	2.2
111.04420	1.7
113.02351	2.3
113.09610	0.8
116.13016	0.7
116.49054	0.8
116.92776	1.5
119.03378	1.0
135.08043	1.7
138.07509	0.9
149.09647	0.9
150.99695	0.9
151.11172	1.0
161.04468	2.0
161.09607	2.4
163.11205	10.7
179.05513	1.5
179.10713	1.9
181.12325	1.8
189.09094	5.3
197.11749	2.0
207.10205	37.3
208.10532	3.0
221.29968	1.0
225.11275	100.0
226.11630	6.0
235.08188	7.5
253.09267	10.7
258.15106	0.8
277.21713	69.0
278.22070	6.9
381.07120	0.9
399.38464	1.0
443.19135	8.3
461.20288	16.4
462.20453	1.6
484.58517	0.9
721.30029	1.6
721.41754	13.6
722.42157	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	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83426	0.2
52.77935	0.2
55.01766	0.2
57.03334	0.2
59.01251	4.8
64.66916	0.2
68.41258	0.2
69.51810	0.9
69.52219	0.4
71.01255	3.4
72.99190	0.2
73.02796	0.8
80.02572	1.0
81.02917	0.2
81.03314	1.1
82.33540	0.2
83.01270	0.5
83.04898	4.2
84.02046	0.6
84.65820	0.1
85.02833	0.7
87.00745	0.9
89.02315	2.3
95.01238	0.2
95.04910	0.6
97.02800	0.2
97.06441	0.2
98.20537	0.3
99.00804	0.2
101.02324	3.0
109.06526	0.2
113.02349	1.5
118.30993	0.2
119.03383	0.5
125.05968	0.5
131.03352	0.2
135.08072	0.8
143.03436	0.4
145.04973	0.6
161.04445	1.0
163.11197	3.7
165.12770	2.5
179.05507	0.4
181.12320	0.6
191.10663	1.0
209.11772	100.0
210.12102	5.5
218.04416	0.2
227.12839	10.4
228.13214	0.7
233.22778	0.3
235.08202	3.4
253.09264	9.5
254.09743	0.5
259.20654	0.3
277.21716	78.4
278.22079	6.3
340.72006	0.2
445.20599	0.5
600.24878	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	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.5
71.01260	2.9
78.95752	1.2
80.02535	1.0
81.03332	1.3
83.04897	5.6
84.02065	0.9
85.02803	0.5
87.00769	0.6
89.02313	2.1
95.04897	1.0
101.02309	2.6
111.06140	0.5
113.02340	1.1
116.92745	0.7
135.08066	0.8
139.89671	0.5
152.99588	0.8
161.04509	0.8
161.56841	0.4
163.11180	4.2
165.12772	2.3
179.05463	0.7
181.12303	0.8
191.10678	1.1
209.11771	100.0
210.12083	5.6
226.11543	0.5
227.12819	11.1
228.13252	0.8
235.08237	1.6
253.09268	6.7
277.21719	52.2
278.22046	5.0
355.50641	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	716.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14960	0.1
59.01250	0.2
61.98702	100.0
62.25364	0.1
62.98412	0.2
65.51641	0.1
71.01283	0.1
89.02332	0.2
95.64869	0.1
158.83208	0.1
255.23441	0.2
256.23447	0.1
268.82251	0.1
282.51602	0.1
397.13583	0.1
399.14154	0.3
400.14221	0.2
474.59366	0.1
697.56232	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	721.1773
Annotation	5-O-beta-D-Glucosylluteoliflavan-(4->8)-eriodictyol
Peak:m/z	Relative Intensity
54.17847	1.0
56.05002	1.2
59.01257	8.5
61.98384	2.3
61.98701	42.0
69.03281	1.2
71.01245	4.9
71.49657	2.0
78.95785	1.7
83.04859	1.7
83.46021	1.1
85.02821	1.4
89.02296	1.3
96.95894	4.3
99.00742	3.0
101.02337	2.8
102.24126	1.2
163.11183	2.5
171.10248	1.2
181.12270	3.6
184.51994	1.3
194.03409	1.4
199.13271	1.8
207.10202	4.1
209.11765	8.6
215.61250	1.2
225.11211	5.9
229.14351	1.6
243.12303	2.5
257.13080	1.7
282.44357	1.2
301.11908	2.0
302.12289	1.4
311.06653	1.5
387.01050	2.1
399.05011	1.6
415.04349	1.9
430.03180	1.6
438.07285	1.3
441.05936	1.8
453.06058	2.1
454.06500	2.4
457.05692	1.9
458.05878	1.7
459.07114	12.0
460.07803	4.8
469.60443	1.2
479.21085	1.4
485.08469	2.1
486.09717	2.8
497.08881	2.6
497.27554	3.0
498.09341	1.6
501.08276	7.2
502.09052	8.0
503.09610	1.3
513.11853	1.3
515.09753	1.4
515.27533	1.6
523.79828	1.1
525.08069	1.7
531.98578	1.3
541.11224	3.3
559.12823	2.8
613.23120	1.8
689.33838	17.0
703.16327	2.4
721.17737	100.0
722.18042	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	35.0
59.84726	2.0
61.98698	5.9
66.10258	1.6
66.20428	1.9
69.83485	3.5
69.83902	7.6
71.01249	29.2
72.99191	4.2
73.02820	6.2
78.95789	2.3
81.84979	1.8
83.01268	3.6
85.02821	7.3
87.00752	10.6
89.02321	27.8
97.02815	3.6
101.02311	28.0
113.02340	13.5
117.03280	1.9
119.03402	9.1
125.02331	15.1
140.71184	1.9
143.03381	7.2
149.76544	1.8
152.99440	2.3
161.04445	5.6
162.04926	2.4
179.05568	5.0
235.08250	13.9
253.09392	2.5
263.20142	78.1
264.20563	6.0
285.04022	2.4
287.07745	3.8
305.08475	4.4
340.89978	2.1
397.13480	100.0
398.13303	9.6
415.14590	32.8
497.05502	2.4
498.60980	2.1
661.33496	2.5
721.28381	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	716.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82661	1.6
57.03331	2.5
58.00448	1.9
59.01250	69.0
66.39342	1.6
69.86649	8.8
71.01254	39.6
72.99167	3.2
73.02811	2.8
78.95745	1.9
83.01256	2.0
85.02813	9.4
87.00755	2.0
88.58980	1.7
89.02313	36.1
91.88209	1.7
95.01241	2.5
96.95889	9.0
96.96822	2.7
98.19817	2.4
101.02318	23.5
106.06488	5.8
113.02316	10.9
119.03393	10.7
122.05975	3.0
134.06000	44.8
135.04442	2.9
145.02838	2.1
150.03079	4.2
150.05525	3.8
152.07071	12.9
160.01553	1.8
175.03920	3.1
175.11110	2.6
176.03513	1.6
181.04837	1.9
190.04988	7.3
191.18205	1.8
192.06572	2.7
206.21266	1.7
213.10190	5.1
222.07944	2.7
225.06578	2.8
225.10352	2.7
226.70456	1.9
237.06650	4.3
237.10316	18.6
238.08815	2.9
238.10760	2.3
239.08315	3.5
250.07503	2.2
251.08218	3.8
253.09721	10.6
255.11258	2.9
263.08237	4.1
265.06125	6.3
265.09830	5.8
266.06845	20.3
278.06924	7.0
279.07581	3.0
280.08377	3.5
281.09299	100.0
282.09467	5.6
288.32849	2.1
293.09305	49.6
294.09814	7.4
307.07214	2.4
313.11969	17.6
314.12604	3.8
315.18130	1.7
343.02783	1.8
370.11694	2.0
372.13626	1.9
400.16733	3.5
401.18149	23.4
407.75470	2.0
428.16049	5.4
457.83362	1.9
477.19254	3.3
511.93149	2.1
525.20746	2.4
553.60254	1.8
580.22778	3.4
608.22461	86.7
609.22852	16.8
640.25122	34.8
641.25378	5.3
652.21417	18.8
653.22144	3.3
684.24097	92.3
685.24487	22.1
711.96973	1.9
716.26575	42.6
717.27240	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	716.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29648	0.9
59.01248	19.8
61.98706	6.7
70.64931	2.7
71.01243	7.6
72.99174	1.0
73.02811	2.6
74.02354	1.3
78.95766	1.7
83.01266	1.8
84.04411	2.5
85.02836	4.0
89.02308	1.8
96.95909	0.9
97.47269	0.8
99.00736	0.8
101.02332	4.3
102.05485	75.5
103.05848	1.6
107.72572	1.0
109.02883	0.9
113.02339	3.8
128.03426	62.2
129.03752	1.4
135.07979	1.0
145.06076	1.4
146.04492	38.6
151.03795	1.1
178.10381	0.8
501.30286	1.0
502.60690	0.9
543.31726	12.5
544.32147	1.8
630.35492	2.0
654.34570	4.5
672.35980	100.0
673.36444	17.4
716.36151	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	715.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.6
57.03336	3.8
58.00457	1.9
59.01250	100.0
61.98699	3.5
69.03322	1.4
71.01253	58.9
71.49613	1.1
72.01579	1.0
72.99181	3.6
73.02814	11.6
76.49412	0.8
83.01259	6.5
85.02822	23.5
85.99957	1.1
87.00753	3.7
89.02319	23.1
89.02847	1.5
93.30882	0.8
95.01251	5.3
96.95872	2.3
97.02824	2.3
99.00769	4.8
101.02325	28.6
111.00768	3.1
113.01527	1.4
113.02326	28.7
119.03391	7.0
120.71180	0.8
124.01566	2.9
125.02349	3.1
128.03433	0.9
129.01866	1.1
131.03401	0.9
141.01840	0.9
143.03403	5.1
159.02882	0.9
161.04472	7.1
171.10220	1.1
179.05580	1.7
233.08189	0.9
277.83804	0.8
449.28796	2.2
466.30603	0.9
467.30270	7.1
575.33069	1.5
611.34308	76.7
612.34698	13.1
629.35394	69.6
630.35779	12.7
671.36731	8.0
672.36169	1.5
715.39447	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	715.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.1
58.00481	2.2
59.01249	100.0
61.98697	7.3
66.15144	1.8
71.01256	54.6
71.49675	1.9
72.01603	2.0
72.99172	3.2
73.02814	10.3
75.54353	2.0
78.95765	4.6
83.01247	5.8
85.02830	23.5
85.99989	1.9
87.00747	3.3
89.02322	26.2
95.01287	4.9
96.95883	21.1
96.96846	2.3
101.02316	30.1
113.02332	30.9
119.03407	9.9
124.01552	3.8
125.02312	3.2
131.03398	2.0
143.03397	4.6
143.15805	1.7
146.04535	1.7
161.04497	8.9
171.10239	1.8
179.05550	4.5
202.18188	2.2
301.08502	2.1
406.51660	2.1
467.30292	3.8
611.34265	67.4
612.34448	13.0
629.35431	63.2
630.35840	8.9
671.36530	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	712.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02836	2.8
59.01237	0.9
61.98706	0.7
64.72690	0.7
69.89434	3.9
73.03944	1.3
74.02321	0.8
82.02852	2.3
84.04404	0.7
87.05511	10.0
88.03905	5.5
96.95862	0.8
98.02383	3.3
101.07079	3.1
109.03955	3.4
110.02349	2.2
111.01885	1.2
111.05502	1.1
112.03924	1.7
112.20033	0.8
113.03429	1.2
114.05489	22.7
115.08648	2.5
116.07069	1.1
125.07101	2.1
126.05550	1.3
126.06577	1.5
127.05029	21.3
127.08681	1.0
128.03426	12.4
129.06593	29.5
130.05005	0.7
133.01280	0.8
137.07086	2.2
138.05510	0.7
139.08679	1.6
140.61005	0.7
141.06555	1.0
141.10211	2.0
144.07706	3.7
145.06081	4.7
152.06998	1.6
153.10115	0.7
154.09776	1.7
155.08157	3.7
155.11818	1.0
161.02361	0.7
165.10226	3.1
166.08621	2.4
167.08168	6.1
168.07704	1.2
169.06021	0.7
169.09747	2.9
181.09761	2.6
182.12856	4.2
183.11313	2.1
185.09183	2.2
186.08791	2.0
200.13982	1.6
208.10831	1.7
209.09305	3.8
212.20049	0.7
218.12698	1.0
224.14020	5.5
225.13866	1.3
226.12010	3.3
227.10226	0.9
236.13998	6.9
240.17120	2.7
244.13327	0.8
252.13472	2.0
254.14970	1.5
267.14630	2.6
268.13016	1.4
280.12991	0.8
285.15881	1.1
298.13965	2.8
301.15170	0.8
340.13284	0.7
350.02002	0.7
351.20352	7.9
357.24625	0.7
395.19388	6.8
396.18985	1.0
412.18839	0.8
414.19962	6.9
506.10184	1.1
523.29059	2.6
553.29352	0.9
567.27765	1.1
597.28851	5.6
598.28802	1.0
621.65588	0.8
682.34021	12.9
683.34845	1.1
694.34161	6.7
695.34650	1.3
712.35205	100.0
713.35400	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03315	1.2
58.00480	0.7
59.01250	100.0
60.01589	0.7
61.98711	0.8
69.03329	1.1
69.92630	0.4
69.93041	2.1
71.01254	21.9
72.01608	0.4
72.99186	1.6
73.02815	4.7
74.78732	0.3
75.00756	0.3
83.01254	3.0
84.02040	0.3
85.02823	11.0
85.99995	0.4
87.00753	1.8
89.02317	7.9
93.82848	0.2
95.01261	3.1
97.02835	1.9
97.84245	0.2
99.00747	1.9
101.02323	11.8
102.02700	0.4
111.00758	1.3
112.01559	0.5
113.02328	17.0
114.02615	0.5
115.03876	0.7
119.03373	2.2
124.01564	3.1
125.02341	5.6
126.02683	0.3
126.38553	0.3
129.01833	0.6
131.03398	0.5
134.70114	0.2
141.91136	0.3
142.02621	0.3
143.03391	3.9
151.07545	0.9
159.02940	0.7
159.97969	0.3
161.04469	3.9
168.59373	0.3
174.51875	0.2
179.05586	0.3
361.43765	0.3
449.29108	1.8
467.29950	2.2
519.29602	0.3
545.31104	0.3
557.31494	1.2
575.31909	1.3
593.33264	10.0
594.33582	1.3
611.34326	41.9
612.25317	0.5
612.34747	7.0
629.35419	15.2
630.35510	2.3
653.35358	3.1
654.35547	0.3
669.38068	0.3
671.36401	7.4
672.37128	1.2
713.37854	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	711.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73808	0.3
55.01757	0.5
55.86537	0.3
57.03313	0.5
59.01249	100.0
60.01582	0.8
61.55748	0.3
65.04414	0.3
70.11204	0.4
70.80551	1.0
71.01253	9.3
73.02821	3.8
74.53448	0.3
77.47464	0.3
83.01276	1.2
85.02817	4.0
89.02316	1.3
95.01297	0.8
97.02835	0.4
99.00756	1.0
101.02317	6.9
101.02929	0.5
113.02321	4.1
121.02877	0.4
123.40268	0.3
125.02330	0.4
143.03380	0.5
151.00314	0.5
159.02922	0.9
161.02448	0.5
161.04489	3.9
191.01958	0.3
207.64603	0.4
227.19083	0.4
238.88368	0.4
259.59766	0.4
269.10278	11.5
270.10614	0.7
271.02539	0.6
300.02847	1.3
301.03262	1.8
311.11356	4.7
353.37955	0.4
387.66446	0.4
463.09018	1.1
505.09882	2.0
607.26367	0.5
667.16449	0.5
698.15198	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	711.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03317	0.7
58.00483	0.8
59.01246	24.6
60.01577	0.4
61.98709	0.7
69.72028	1.7
69.72433	0.8
71.01253	12.0
72.99175	1.0
73.02810	3.6
83.01247	2.4
85.02821	4.6
87.00747	1.8
89.02316	9.0
89.02840	0.7
95.01260	1.1
96.95885	0.6
97.02851	1.6
98.20526	0.4
99.00771	1.4
101.02318	15.8
107.01389	0.4
111.00764	0.5
113.02323	6.5
119.03378	3.8
123.04438	0.5
125.02346	1.1
131.03416	1.9
132.02071	1.3
133.02843	21.6
133.23300	0.4
134.03285	0.6
135.04425	3.8
137.03474	0.8
143.03383	1.6
145.02878	0.5
151.00304	0.5
161.02348	42.4
161.04326	4.7
162.02831	0.9
163.11169	2.4
166.31628	0.4
175.03777	0.4
179.03441	1.3
179.05527	1.2
179.07004	0.6
207.10193	4.4
221.06604	3.2
225.11356	1.1
301.03464	6.7
302.04086	0.6
312.12286	0.7
387.16797	2.2
388.16727	0.6
498.51306	0.4
531.21155	0.4
531.24384	0.4
549.21838	100.0
550.22174	10.0
711.25037	18.1
712.25452	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	711.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90681	0.4
55.01752	3.4
57.03331	4.4
58.00467	1.9
59.01249	78.8
59.24196	0.5
60.01587	1.3
60.99193	0.5
61.98689	1.0
67.01749	0.5
68.99684	0.7
69.03327	1.9
69.38777	0.9
69.39169	3.5
71.01251	47.1
72.01604	0.5
72.99174	3.3
73.02817	11.9
73.52518	0.4
75.00745	2.3
78.95785	1.0
79.95619	0.6
81.03326	1.0
83.00777	0.4
83.01257	7.9
85.02821	25.8
85.99986	1.4
87.00748	4.6
88.98677	3.9
89.02314	14.2
95.01263	5.3
96.95905	1.3
97.02840	2.0
98.19844	1.0
99.00764	5.3
101.02322	30.9
102.02685	0.5
109.53082	0.6
111.00764	3.7
112.01538	1.0
113.02328	23.1
114.02676	0.5
115.00319	0.5
115.03899	0.5
119.03378	5.0
123.00751	0.5
124.01538	2.0
124.16823	0.5
125.02347	6.5
126.27550	0.5
128.03400	0.5
129.01859	0.9
131.03484	0.5
132.04448	0.7
133.01285	0.6
134.03629	0.7
137.02344	0.5
143.03412	3.4
152.70505	0.4
159.02922	2.2
160.01561	0.8
161.02370	0.7
161.04465	4.9
171.13834	1.0
175.03923	0.8
179.05539	0.8
216.39500	0.4
225.04364	0.9
299.25900	2.3
345.30151	4.7
489.34308	6.8
490.34567	1.1
507.35461	9.3
508.35367	1.2
603.37872	0.5
615.37573	1.7
651.39563	100.0
652.39880	18.7
667.38739	0.8
669.40613	58.6
670.41034	11.1
679.21167	1.5
680.22876	0.6
711.41718	18.9
712.41998	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	711.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.0
61.98706	2.7
69.31350	2.3
69.31776	3.1
71.01255	2.0
73.02781	0.6
75.36474	0.6
79.95608	29.1
80.96379	1.1
83.01247	0.7
85.02800	0.7
89.02317	1.7
93.03368	0.9
95.95106	9.3
96.10539	0.6
96.95890	100.0
101.02325	1.9
109.02890	0.7
110.97474	7.3
113.02346	1.3
133.02834	1.6
135.04462	1.5
136.99048	0.7
137.03430	0.8
141.95688	1.5
145.02907	0.9
150.05464	0.9
151.00323	1.3
151.03838	0.6
160.01604	0.6
161.02353	8.1
165.05499	1.1
167.00137	2.8
177.01813	0.6
179.03432	1.2
181.04974	0.9
189.05566	0.8
193.04973	1.1
206.05875	0.7
255.03271	0.9
281.00311	0.7
289.03891	1.9
301.03558	5.4
361.06085	0.7
419.13367	0.9
467.10104	1.2
471.09891	5.8
485.11279	1.3
495.09625	2.5
499.09140	19.6
500.09677	1.6
513.10852	2.9
514.04382	0.7
514.11389	3.6
515.11938	0.9
527.12323	1.4
549.23047	2.0
651.27051	0.6
711.19568	74.1
712.19904	13.6
712.32098	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	709.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12352	0.6
53.34318	0.7
55.01752	4.1
57.03326	4.0
58.00467	2.4
59.01249	89.5
60.01581	1.2
61.98701	5.2
65.33722	0.6
69.03321	1.8
70.82160	0.7
71.01253	65.8
71.04910	0.7
71.50302	1.0
72.99181	5.5
73.02814	13.7
75.00751	1.5
78.95753	0.7
79.95613	0.7
81.03333	1.3
83.01250	9.1
85.02821	30.0
85.99949	1.1
87.00758	6.5
89.02317	31.9
95.01264	6.2
96.95883	4.2
97.02847	2.4
98.95510	0.6
99.00754	5.9
101.02323	39.1
102.05388	0.6
111.00764	3.8
112.01562	0.8
113.02328	31.6
115.91953	0.9
116.36477	0.6
116.92743	2.6
118.85308	0.6
119.03397	10.3
121.10140	2.0
124.01563	1.7
125.02344	4.7
129.01817	1.5
131.03477	1.1
133.01456	0.7
134.03661	0.6
135.04390	1.0
141.01851	1.0
143.03416	5.4
149.04500	0.9
159.02942	2.1
161.04466	7.6
175.03903	0.9
179.05556	3.8
185.15378	1.4
246.48662	0.6
293.17523	1.4
342.83420	0.7
343.28589	1.7
469.31796	0.7
486.60550	0.7
487.32675	12.0
488.33243	1.8
505.33725	12.2
506.34000	1.2
529.34039	1.4
613.36035	1.1
649.38007	100.0
650.38287	16.2
667.39044	71.5
668.39319	11.9
709.40399	21.8
710.40497	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	711.1413
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
55.60379	0.7
61.29625	0.7
65.00208	1.4
70.06125	3.3
95.13911	0.6
98.20507	1.0
107.01265	1.4
109.02821	1.3
109.44878	0.8
120.24944	0.7
121.02866	1.1
133.02811	1.0
148.03940	0.9
151.00282	6.4
171.04395	1.0
175.00227	1.0
175.03900	1.3
178.99722	1.4
183.04402	0.8
199.03928	3.7
201.01979	1.1
215.03421	2.3
219.45377	0.8
226.02705	1.0
227.03424	3.7
229.05125	0.7
243.02934	5.2
249.22852	0.8
254.02261	0.9
255.02937	3.5
257.58545	0.8
271.02463	61.9
272.02841	6.5
299.01947	100.0
300.02530	17.3
301.03497	39.3
301.06973	1.6
302.03836	3.4
313.03467	2.2
343.04623	1.8
422.88205	0.8
463.08829	9.8
504.09109	16.7
505.09875	18.8
506.10037	1.8
579.92761	0.9
589.40918	1.2
600.31934	0.8
667.15143	74.0
668.15564	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	707.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12546	1.8
59.01244	15.2
61.98690	3.6
64.75024	1.8
67.81342	1.6
69.03340	3.2
69.38181	12.9
71.01252	4.8
72.99197	1.6
77.29308	1.5
80.04923	12.9
81.23705	2.0
82.02871	2.6
82.30957	1.7
83.01254	1.7
84.27513	1.8
89.02341	2.0
94.02866	30.3
94.06498	3.7
96.95899	4.5
101.02287	3.7
104.04932	3.5
106.06517	4.5
107.03645	6.5
108.04429	5.4
113.02352	2.1
115.91989	4.6
116.92753	7.8
120.04452	3.1
122.06006	56.1
123.06384	1.9
124.03928	2.4
124.07562	2.3
130.06441	2.3
132.04506	3.5
133.02812	2.5
134.06013	13.0
135.04376	4.1
136.03951	5.8
138.05486	11.6
139.02625	2.4
145.02870	2.6
147.05511	2.3
148.03937	8.3
150.05473	12.7
152.07077	100.0
153.07408	2.3
160.01588	3.1
160.03935	5.5
161.02328	7.2
163.07599	2.0
168.06519	2.8
174.05553	5.7
175.03865	3.1
179.03384	3.2
180.06607	2.2
185.00735	2.2
186.12775	2.0
188.07077	4.6
190.05040	3.4
194.04497	1.8
199.08873	1.9
201.10281	6.0
211.08614	4.2
213.10150	5.2
217.10114	2.2
224.09319	2.0
225.10321	7.4
226.11044	3.0
227.11864	8.9
229.09792	7.3
229.13426	3.4
235.08728	2.5
237.10234	7.6
239.08162	3.3
239.11856	7.1
245.12883	10.5
247.10966	2.8
250.07434	2.7
251.08229	3.7
251.11717	2.2
252.08957	3.8
253.09689	7.5
254.10326	2.5
255.11429	8.8
257.12939	4.1
263.08237	2.9
264.08780	2.0
265.09787	8.9
266.10370	3.4
267.11407	5.8
268.12100	2.7
273.12479	6.2
277.09781	4.3
278.06982	6.7
278.10205	3.8
279.07681	9.4
279.11176	3.8
280.08109	2.2
283.10788	2.1
285.12415	2.5
289.12195	3.7
293.09372	20.4
294.09839	5.2
295.10724	11.6
301.12018	13.1
306.10065	2.8
307.10886	5.0
309.12396	2.6
311.10391	2.5
313.11868	8.4
319.12988	45.7
320.13211	3.0
323.10614	4.1
325.11877	3.1
332.13922	3.7
337.08154	10.8
338.09225	2.4
339.09641	3.0
342.12259	2.1
344.14011	2.7
355.13239	3.9
356.14230	2.0
359.12332	2.5
372.13370	3.9
374.15051	14.8
375.15244	2.5
388.16660	3.4
391.15247	4.0
392.16101	9.1
398.83505	1.9
416.16098	8.4
417.16916	4.3
432.19156	6.4
434.17111	6.6
456.51132	1.8
459.17908	6.5
460.18701	5.5
461.19275	2.3
462.16904	2.0
463.17596	9.9
471.24509	2.2
474.20352	2.8
478.19821	6.7
503.17285	2.7
504.17847	7.3
518.19580	12.1
519.19739	2.6
531.26276	4.0
539.23096	6.4
550.21948	25.3
551.22168	5.0
557.23950	13.6
558.24231	4.2
581.24408	9.6
582.24255	3.0
583.21960	5.5
599.25092	31.1
600.16266	2.0
600.25122	9.5
602.23938	4.8
615.24890	13.4
616.25342	2.2
625.23126	7.5
631.27722	2.9
643.24017	50.7
644.24176	11.1
647.26984	4.2
657.25549	8.7
658.25739	2.5
675.26709	76.0
676.26758	16.6
689.28339	12.7
707.29340	40.9
708.30066	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	707.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	3.1
58.22391	1.8
59.01249	57.3
61.98700	9.3
62.95213	2.1
69.39041	17.1
71.01259	24.0
72.99178	1.9
73.02818	7.5
80.04936	5.0
82.02849	3.7
83.01252	2.8
85.02811	7.8
87.00748	2.4
87.74630	2.1
89.02318	18.5
94.02862	21.9
94.06496	3.1
96.95897	14.8
98.19869	4.4
98.95466	3.8
99.00779	2.3
99.92464	9.1
101.02323	14.5
102.05500	5.1
104.04943	2.9
106.06492	5.8
107.03616	5.3
113.02297	17.0
115.91957	15.2
116.92739	24.7
117.92758	2.7
119.03394	8.0
120.01119	5.7
120.04463	3.9
122.06004	37.2
123.81705	2.1
124.51234	2.0
128.03403	9.5
134.06013	14.9
138.05492	6.8
144.08734	2.8
150.05518	6.2
152.07077	70.9
153.07396	2.3
158.06038	2.5
160.03984	2.8
161.04474	5.1
168.06421	2.1
171.10155	4.6
173.39767	2.3
174.05492	2.3
179.05487	3.7
188.07143	4.5
190.05055	2.3
191.61137	1.9
201.10237	3.5
209.11777	6.4
210.40073	2.0
211.08755	4.1
223.08553	2.3
225.10289	5.1
229.09766	5.7
229.13326	2.7
235.08665	2.6
237.10306	7.6
239.11743	5.4
245.12868	7.0
250.07434	5.9
251.08195	5.8
251.11937	3.9
252.08997	3.0
253.09714	5.7
254.10385	2.2
255.11317	5.1
257.13055	4.2
263.08389	3.2
264.08887	2.5
265.06149	2.4
265.09787	12.7
266.10483	2.7
267.11432	5.2
277.09714	3.7
278.06961	12.7
278.10312	4.3
279.07678	12.8
279.10980	3.3
291.07935	3.4
292.08633	2.4
293.09357	41.0
294.10034	14.6
295.10776	9.8
296.11337	3.5
301.12024	10.3
306.10123	3.6
307.10886	6.5
309.12323	4.9
313.11969	2.6
319.13025	21.7
323.10434	4.6
337.08255	29.0
338.08755	5.1
339.09650	2.6
351.09839	2.2
355.12939	3.7
374.15015	4.8
416.16071	5.9
429.17038	2.8
430.13837	3.9
431.18665	5.5
440.16370	2.9
441.16440	2.1
444.15479	3.9
458.17377	2.8
459.17978	11.2
460.18497	5.9
462.16699	2.3
474.20718	3.6
476.18161	4.6
485.30966	4.6
486.16910	4.1
492.21426	3.2
503.16760	9.2
503.32004	2.8
504.17755	23.9
518.19281	41.1
519.19611	7.0
535.19464	2.8
539.22882	2.2
550.21924	100.0
551.22131	11.5
557.23639	4.1
567.22461	2.6
581.23993	7.3
583.21844	2.6
599.24921	19.3
615.24591	3.8
625.22742	4.5
643.24323	17.9
644.24664	4.6
647.36572	13.8
657.25781	18.1
658.26270	3.5
662.33630	3.2
663.34576	18.0
664.35052	4.5
665.36804	12.9
675.26666	89.8
676.27020	21.2
678.76563	2.4
689.28381	6.6
707.28455	18.0
708.29034	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	707.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54094	0.8
59.01045	0.7
59.01256	7.6
61.25755	0.8
63.40004	0.8
69.63005	6.5
71.01223	1.0
79.12959	0.8
80.04922	8.2
82.02871	1.7
94.02866	24.6
94.06493	3.6
96.04402	1.3
96.15143	0.9
96.95865	2.3
98.19881	1.4
104.04945	4.0
104.59914	0.9
106.06503	3.3
107.03638	6.3
108.04443	3.1
119.74048	1.0
120.04446	2.9
120.07979	1.7
122.06016	45.6
123.06383	1.4
124.03922	3.9
124.07566	1.9
130.06499	1.1
132.04427	4.8
134.06012	12.5
136.03931	4.1
136.07555	1.5
137.04688	1.6
138.05519	10.7
139.02652	3.0
146.06004	2.1
147.05524	2.1
148.03941	4.0
150.05499	9.9
152.07076	83.3
153.07408	2.8
160.03923	3.2
160.07536	0.9
162.05482	2.1
164.07152	1.2
172.11337	1.7
173.04611	0.9
174.05537	5.1
175.05061	1.8
178.32047	0.8
180.06583	1.4
186.05457	1.7
188.07106	4.2
190.05110	1.3
201.10271	10.4
211.08772	3.0
213.10281	8.3
215.11836	1.6
217.13437	1.1
223.08780	1.2
224.09381	1.4
225.10263	5.4
226.10960	1.0
227.11859	5.6
228.12469	1.6
229.09804	11.9
229.13419	4.1
237.10242	6.3
239.11848	8.7
241.09746	1.6
245.12920	13.2
247.10806	1.5
249.10287	2.0
250.07410	5.4
251.08177	2.7
251.11865	2.2
252.09039	2.0
253.09775	5.2
255.11304	7.2
257.12961	4.6
259.10873	1.9
263.08231	2.3
264.09018	1.8
265.06293	1.3
265.09830	9.5
266.10568	3.2
267.11423	7.0
269.12735	1.2
273.12402	6.1
277.09772	4.2
278.06955	6.1
278.10483	4.3
279.07709	7.3
279.11337	3.7
280.08267	1.2
280.12158	1.3
281.09109	1.2
281.13040	1.6
285.12534	1.4
289.12018	2.8
291.07828	2.1
291.11200	2.1
292.08725	1.2
293.09299	20.0
293.12323	0.8
294.10101	7.6
295.10907	11.9
296.11282	2.1
297.12387	1.8
301.11920	16.1
302.12369	1.3
305.09323	2.1
306.10114	2.0
307.10870	4.2
309.12222	4.9
311.10361	1.5
313.11758	4.8
318.12445	1.1
319.13000	43.2
320.13287	3.8
321.12292	1.1
323.10324	8.2
325.11929	3.7
327.13379	4.5
332.13885	1.4
337.08240	12.6
338.08936	1.6
339.09808	3.6
344.10187	1.2
344.14075	1.3
345.14737	1.0
351.09839	2.5
355.12976	3.4
358.11893	2.3
372.13470	2.0
372.17508	1.5
373.14230	1.2
374.15115	10.5
375.15158	1.4
386.15225	2.4
388.16483	1.0
392.15994	5.9
400.12665	1.8
403.15103	1.9
416.16278	7.5
417.16635	2.6
418.13876	1.6
428.16153	2.0
431.18417	2.0
432.19299	1.9
434.17230	5.2
444.15421	1.6
446.17426	2.1
458.16995	2.6
459.17926	7.1
460.18878	6.5
462.16452	1.4
463.17361	2.9
468.15839	1.6
474.20264	3.3
476.18109	3.9
477.18884	1.6
486.16531	3.5
492.21515	2.3
503.16907	5.2
504.17694	14.5
505.18137	3.8
518.19330	14.8
519.19440	2.0
536.20380	1.1
539.23187	6.2
550.21979	21.6
551.22107	2.9
557.23932	7.8
558.24475	1.7
571.25574	2.5
578.78125	1.1
581.24048	6.7
582.24725	1.5
583.13702	1.1
583.21857	5.7
599.25104	43.5
600.25403	7.0
602.23859	1.4
615.24286	6.2
616.24969	2.0
625.22687	3.1
631.27673	7.2
643.24048	45.7
644.24298	8.3
647.27222	2.9
657.25635	10.0
658.25677	2.8
675.26666	100.0
676.26935	21.4
689.28088	3.2
707.29346	18.3
708.29370	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	706.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76264	0.4
59.01254	4.7
61.98705	3.3
71.01254	4.1
71.21707	1.2
72.99165	0.6
73.02795	1.2
76.55489	0.4
78.95774	100.0
84.04421	1.0
85.02831	1.0
87.00739	1.0
89.02313	4.2
95.01266	0.6
96.95905	1.1
96.96844	9.4
101.02337	3.2
105.42869	0.5
109.03958	1.4
111.08042	2.2
113.02328	1.7
119.03370	1.0
122.06042	1.3
125.02313	0.9
127.05019	3.8
128.03429	3.0
145.06093	5.5
152.07097	1.5
152.99481	7.6
167.14342	0.5
169.12288	1.0
171.00551	20.2
171.10207	0.5
196.65395	0.4
197.11768	9.1
209.11732	1.0
211.13301	1.6
214.04877	0.5
227.12849	0.6
235.08144	0.5
268.09573	1.9
276.52072	0.5
279.11411	0.9
291.19702	2.0
309.20685	16.7
366.17093	0.6
397.13556	4.4
415.14450	6.0
432.46576	0.5
518.37451	0.5
520.20880	0.7
522.61926	0.5
552.37134	0.9
584.55377	0.5
611.25153	3.0
612.25562	0.6
643.28015	2.0
644.27356	0.6
706.36804	50.4
707.37189	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	707.183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00986	0.2
54.48884	0.2
59.01241	0.7
69.52114	1.7
71.01262	0.4
73.02764	0.3
80.50764	0.3
85.02826	4.8
87.00755	1.1
93.03338	1.9
109.02854	0.3
111.04392	0.6
115.03802	0.2
127.03866	1.2
133.02838	0.4
135.04428	1.1
136.04730	0.3
144.84303	0.3
161.02318	1.7
167.89630	0.2
171.02968	0.3
172.43274	0.3
173.04445	0.8
179.03418	0.5
191.05542	100.0
192.05890	4.2
353.08768	17.2
354.09271	1.4
354.12894	0.3
394.59872	0.3
657.32837	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	707.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94276	1.9
59.01248	100.0
61.98706	7.6
69.03307	3.3
71.01251	58.1
72.99188	6.0
73.02814	15.0
74.45586	2.0
80.04948	7.7
83.01265	6.9
85.02827	18.5
87.00752	3.5
89.02313	39.6
94.02855	2.7
94.06480	3.8
95.01263	4.0
96.95887	15.4
97.02827	2.9
99.00765	3.9
99.92447	3.9
101.02318	28.8
106.06536	5.1
107.03640	7.4
108.04439	4.8
113.02319	34.5
115.91946	4.0
116.92770	5.1
119.03330	11.4
120.04486	2.7
122.06008	60.1
123.06409	2.5
124.03956	2.7
124.07578	2.7
125.02293	3.2
127.05066	2.1
128.03436	4.0
132.04417	6.6
134.06012	15.8
136.03931	7.3
136.07539	3.4
138.05461	4.9
139.02654	4.7
143.03404	5.7
148.03943	5.3
150.05537	8.6
152.05812	4.3
152.07068	85.6
153.07439	2.8
160.03996	3.2
160.18097	2.2
161.04488	8.8
174.05527	4.2
176.03485	2.3
178.04958	5.9
179.05540	5.4
180.06543	4.1
186.09172	2.6
187.06250	2.6
188.07079	12.1
190.05064	10.0
211.08615	2.8
214.07350	5.3
225.10329	4.1
227.08131	5.8
227.11772	4.1
228.08972	4.8
229.09741	9.2
235.08705	2.4
237.10208	3.0
239.11890	3.0
243.11328	10.0
245.09195	4.8
245.12926	4.3
249.10306	4.8
251.08119	4.8
252.08791	3.1
253.09773	5.5
257.09207	14.5
259.10843	17.7
260.11642	4.3
263.08264	3.2
265.09793	6.9
267.11343	5.5
271.10931	15.4
272.11298	3.9
273.12335	4.0
275.10410	19.1
277.09851	5.0
279.07806	4.7
279.11288	2.8
281.09399	3.1
281.77112	2.7
289.11902	7.8
290.12668	18.8
293.09299	5.2
294.09955	3.7
295.10901	24.7
296.11270	4.3
297.12424	4.1
300.07220	2.5
301.11911	5.9
307.10825	9.0
315.09818	2.5
317.11493	5.3
319.13101	15.1
323.10263	4.5
325.11960	4.5
331.65417	2.6
333.10754	2.9
334.11661	54.1
335.12256	6.9
355.12949	21.1
356.13434	4.7
371.12527	2.7
372.13403	3.1
391.14828	2.8
406.18253	2.8
430.13611	2.7
432.15625	6.7
448.14984	2.9
460.18842	50.1
461.19089	9.5
485.31216	12.1
486.16620	2.9
504.17825	21.2
505.18143	3.7
517.26843	2.7
553.20459	3.2
557.23749	3.1
569.20844	6.6
597.23322	5.6
598.24622	3.8
599.25201	13.1
601.22925	5.5
611.34003	3.4
613.23047	5.3
630.26782	4.6
642.23254	5.7
643.23993	23.8
644.24683	4.0
647.36377	48.4
648.36224	4.5
663.36859	6.2
665.37469	35.5
666.37592	3.1
673.25623	3.0
674.25861	43.0
675.26550	27.1
707.26544	3.3
707.38660	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	706.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.3
61.98701	19.2
63.62228	0.8
69.23737	2.3
69.24144	8.1
71.01243	3.7
78.95775	100.0
87.00739	1.5
94.06506	1.5
96.96856	8.8
98.20630	1.8
101.02301	2.8
106.06483	1.6
107.03632	4.1
113.02375	1.3
113.85035	1.2
115.27917	1.1
120.08067	12.6
122.06002	44.2
123.06322	1.4
127.04982	3.1
128.03412	3.3
132.04453	1.8
134.05994	4.0
136.07521	2.1
139.02615	1.4
145.06082	3.7
148.03946	1.6
152.07079	42.0
152.99498	8.8
153.07449	2.1
160.03896	2.1
161.04575	1.1
162.59570	1.0
164.06984	1.1
167.14255	1.4
171.00545	18.7
174.05482	1.2
179.05553	1.5
180.89940	0.9
190.04958	1.8
209.11789	3.8
223.08676	2.3
224.09319	1.6
225.10283	1.1
236.09512	1.1
237.10300	6.5
238.11063	1.9
239.11868	5.8
245.12920	2.0
249.06544	2.0
249.10254	1.1
251.08223	1.9
251.11739	3.4
263.08252	1.8
263.11761	1.0
264.09106	5.3
265.09723	4.6
267.11279	1.1
271.10803	1.5
277.09656	1.6
278.10629	3.1
279.08215	1.3
279.11374	21.6
280.11890	2.6
291.11404	4.6
291.19629	2.7
292.12302	2.1
295.10861	2.5
295.14124	1.1
309.20782	5.6
323.10388	5.9
324.10953	2.2
325.11880	1.6
338.89243	1.1
355.12860	1.6
360.17188	1.1
402.18234	5.9
403.18701	1.3
414.18179	1.3
416.19617	1.5
438.29669	1.1
444.19397	6.6
445.19910	1.3
448.18674	3.0
460.18707	1.1
461.19647	1.7
488.18329	6.7
489.19183	8.6
520.20892	12.9
521.21320	1.1
567.26160	15.9
568.25977	2.7
611.25098	69.4
612.25415	16.7
643.27698	48.2
644.28033	11.2
662.36987	1.9
663.38251	1.2
689.33710	1.5
706.36829	47.5
707.37085	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	703.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	19.4
61.98705	30.7
68.51031	2.7
68.62566	3.0
71.49576	3.5
78.95776	12.9
80.04918	8.5
81.00614	2.8
96.95889	9.5
97.25607	3.2
101.02303	5.4
106.06518	12.3
107.03647	4.6
116.92706	3.0
121.05232	5.6
122.05999	46.1
134.06007	11.4
136.07587	5.0
139.07455	3.3
148.03964	4.4
150.05573	3.3
152.07074	64.8
152.99503	10.3
153.07402	5.0
160.03853	3.1
160.07623	4.1
164.07047	4.1
178.05057	3.4
188.07079	4.2
209.11806	5.4
211.08694	3.6
218.08153	13.1
225.11339	5.0
229.13367	6.5
235.08482	3.1
237.10368	5.2
239.11842	3.2
241.09772	9.4
245.12837	4.7
249.10448	3.4
250.07426	3.9
251.08209	5.2
253.09824	4.0
254.10524	4.6
255.11533	4.4
255.23244	16.1
256.12091	9.6
256.23621	4.0
263.08215	5.7
265.09775	15.3
266.10571	6.8
267.11331	3.7
277.09802	5.7
279.07657	4.1
281.13077	4.6
293.09344	6.9
295.10922	4.6
300.11218	7.6
309.08853	4.3
315.13730	3.6
323.10300	16.0
324.10950	5.1
325.11880	14.9
337.11920	4.2
347.16306	3.7
379.87213	3.3
383.12921	3.5
391.22562	9.9
398.15100	4.0
409.23340	5.4
414.14401	6.0
415.15369	9.5
427.15250	3.9
430.17609	6.7
431.18665	4.5
441.66589	3.0
449.93115	3.1
461.20148	3.4
472.19089	4.3
504.21399	35.5
505.21393	5.9
516.98993	3.1
527.26715	3.4
533.18207	5.0
534.18591	9.0
548.20276	28.3
549.20935	5.3
565.20709	6.9
566.21283	6.0
580.23090	33.9
581.22992	5.8
595.25555	61.4
596.26019	11.0
627.27997	11.8
639.24487	67.6
640.25098	19.9
671.27191	100.0
672.26984	18.5
703.30182	20.4
703.45618	15.0
704.29712	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	703.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.5
61.98705	2.7
64.85960	0.2
71.01245	1.6
71.49810	0.4
73.02803	0.6
78.95769	0.5
79.95602	3.9
85.02832	0.6
87.00745	0.3
89.02314	1.0
95.01279	0.3
96.95890	100.0
101.02324	1.2
109.02790	0.2
113.02340	0.5
116.92696	0.2
119.03397	0.6
126.93027	0.2
146.39474	0.3
165.05479	0.2
225.04291	0.4
255.23090	0.3
518.29449	0.2
523.25708	0.4
597.78491	0.2
660.35956	0.5
667.39166	0.5
703.32117	40.4
704.32513	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	704.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	17.2
61.98703	31.5
71.07878	3.8
71.29504	7.5
78.95766	8.2
80.04913	8.4
83.26024	3.2
87.00774	3.7
92.94578	3.6
96.95850	4.2
103.84191	3.5
119.11674	3.8
122.06006	29.6
134.06024	6.8
147.11867	3.7
148.03925	3.9
152.07068	34.5
160.06264	5.9
209.11798	6.8
211.13300	4.0
213.10258	32.4
239.11888	19.3
241.13425	11.9
245.13054	4.7
251.12029	4.3
285.12430	60.4
286.12643	4.7
289.18137	6.6
293.12827	7.3
295.10654	5.2
307.19040	4.9
323.10492	4.5
357.14587	6.9
358.15491	19.0
384.13687	4.5
400.16721	16.4
523.23590	7.5
524.23596	4.2
565.24567	65.2
566.24579	9.8
583.97394	4.0
609.23572	100.0
610.23828	17.4
641.26111	56.8
642.26678	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00991	0.4
59.01258	4.3
61.98701	1.6
65.25352	0.3
67.12821	0.3
69.69126	2.1
71.01240	1.9
73.02815	0.6
85.02821	0.6
89.02324	1.6
89.48517	0.3
96.95877	3.2
101.02325	1.7
108.04465	0.4
113.02334	1.2
119.03377	0.7
122.06027	1.7
123.03139	0.6
127.05035	0.5
128.03445	0.8
134.89001	0.3
136.03983	0.4
136.07538	0.3
145.06133	0.5
148.03903	0.3
150.05469	0.5
152.07057	1.1
171.10121	0.4
186.09172	0.6
190.04991	0.7
202.08604	0.5
213.06612	1.4
214.07167	3.0
215.08122	0.9
216.10431	0.4
227.08197	0.8
227.11864	1.2
228.08942	0.6
229.09731	7.1
231.11353	0.8
234.22087	0.3
239.08186	0.4
243.11354	11.6
244.08449	1.9
244.12105	5.9
245.09268	3.1
255.11375	3.7
256.11652	0.4
257.09302	29.0
258.09628	2.2
259.08694	0.2
259.10864	11.4
260.11591	3.3
271.10895	1.0
272.11658	14.6
273.12271	2.5
275.10373	14.8
276.10712	0.8
277.11993	0.5
288.11301	0.4
289.11908	0.4
290.12741	10.5
291.13141	0.8
303.09872	1.0
316.10648	4.4
331.12991	4.9
334.11713	6.9
335.12128	0.4
349.14038	100.0
350.14322	9.0
355.12820	1.6
364.16489	0.5
422.23840	0.3
483.29373	0.4
555.22174	0.4
597.23639	1.3
629.26398	2.8
645.34863	1.0
661.35376	2.8
662.34851	0.5
663.36230	0.9
705.37140	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	702.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69771	1.3
58.00442	2.0
59.01250	45.0
61.98697	3.7
71.01252	26.1
71.49184	1.8
72.99162	4.1
85.02809	6.8
88.82501	1.5
89.02306	26.9
94.06492	1.4
95.01262	2.5
96.95897	2.8
101.02322	20.5
106.06496	7.8
110.02337	1.8
112.03935	2.6
113.02328	10.3
116.04945	9.0
119.03403	8.2
122.06003	6.6
123.03131	5.7
124.03930	2.8
132.04456	4.9
134.06007	80.3
135.06371	1.8
137.02388	2.5
138.05521	16.6
145.02824	2.6
146.06062	1.6
148.03960	3.5
150.05504	2.0
152.07031	9.1
158.02365	3.5
160.01746	1.5
160.03952	40.6
160.05215	1.5
161.04289	2.3
164.07062	6.1
172.03964	5.1
181.04907	1.7
184.06110	1.8
190.04996	15.3
192.06586	95.1
193.06932	4.6
194.04539	2.1
198.16379	1.3
204.06584	5.8
255.11356	6.1
267.11298	3.2
279.11414	2.2
281.09433	8.0
293.09189	4.4
307.10727	9.2
311.13870	3.3
314.12457	8.0
337.11990	2.7
339.13495	30.3
340.13773	3.2
346.93454	2.0
352.55530	1.6
361.76978	1.8
487.17178	43.7
488.17719	7.9
517.18335	8.6
519.19824	100.0
520.20361	13.7
582.24591	4.5
608.22534	10.0
626.23438	38.8
627.23340	7.9
652.21838	3.2
658.25995	3.4
670.22382	24.8
671.22815	4.3
679.80719	1.7
684.24091	10.1
685.24561	2.2
702.25098	36.2
703.25006	7.1
711.38757	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	700.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96463	1.3
59.01255	6.1
70.89726	1.4
71.01277	2.2
71.50115	3.0
87.00732	1.6
89.02317	2.1
96.95882	3.3
98.02392	1.8
101.02299	2.5
108.02056	3.5
109.02846	2.6
119.04918	2.0
123.04391	2.4
124.01586	3.0
132.02090	1.9
133.02832	2.1
134.03711	2.3
135.04402	5.5
136.01564	30.0
137.02321	4.9
139.03940	1.6
145.02844	3.7
147.04411	2.2
148.03990	2.3
148.05203	6.1
149.02362	4.4
149.05995	3.5
150.03142	5.4
151.00290	5.6
151.03914	48.5
158.03607	1.6
160.01515	2.2
161.02319	4.8
163.03889	2.5
164.04770	7.9
164.07101	5.8
165.05508	3.5
166.02617	9.1
173.02339	3.1
175.03862	3.2
176.03372	2.0
178.04991	7.1
179.03458	2.2
181.04999	9.0
190.04971	2.9
204.04263	3.1
219.06610	6.7
221.08299	1.8
271.81955	1.5
282.05417	3.8
297.07526	5.5
312.09872	5.6
312.12494	7.2
313.10513	2.4
327.12338	13.6
328.12286	1.6
338.13892	2.7
341.12595	6.4
342.13486	18.1
352.11249	1.9
356.14844	12.1
383.34393	1.6
386.16318	3.5
419.80661	1.7
490.15051	11.8
491.15405	2.5
505.17505	7.0
508.19580	4.2
520.19757	100.0
521.20172	18.2
538.20801	13.2
539.21118	2.5
614.64313	1.6
700.26141	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	702.131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02883	0.3
58.54659	0.3
59.01242	1.2
60.84595	0.4
61.98699	12.8
63.02252	0.6
65.00192	1.0
69.39874	3.0
76.49276	0.3
78.95773	1.5
83.01254	1.0
89.02394	0.4
96.95895	1.4
107.01256	2.7
109.02814	1.6
113.02296	0.4
121.02872	1.7
125.02253	0.4
140.76157	0.3
141.93680	0.3
149.02324	1.0
151.00281	10.2
152.99449	0.7
160.01538	0.8
161.02325	0.7
163.00241	0.9
164.01100	0.4
169.01326	0.6
175.03925	0.5
178.99812	3.9
189.02010	0.4
201.05478	0.5
211.03842	0.6
227.03397	1.1
245.04611	0.6
255.02991	1.1
255.23244	1.8
256.03784	0.4
271.02460	0.5
286.56229	0.3
296.48764	0.4
296.76208	0.3
300.02600	2.3
301.03506	100.0
302.03845	7.9
302.07236	0.4
315.05084	7.4
316.05505	0.7
421.39368	0.4
443.36456	0.4
445.07693	0.4
453.56427	0.4
517.09753	0.7
639.13495	28.5
640.13885	5.6
684.20081	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	699.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	43.3
61.98705	2.1
64.27252	2.3
71.01253	32.2
71.49481	3.2
74.17278	2.0
77.27205	2.2
83.01263	2.8
84.23626	2.5
85.02808	7.7
89.02325	31.3
93.44945	2.1
96.95850	2.6
99.04408	5.4
101.02324	17.3
113.02323	9.2
119.03376	6.2
135.11676	6.6
151.05995	10.2
161.09607	7.9
177.12805	4.1
177.14307	2.2
179.05571	3.2
179.10684	30.9
179.83907	2.2
191.05511	2.7
193.12244	6.2
194.04614	2.8
221.11800	11.1
223.09680	15.0
233.74043	2.2
240.18336	2.4
265.10767	9.0
313.11459	5.5
519.20789	100.0
520.21149	11.4
699.27014	83.3
700.28046	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	700.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13873	0.5
59.01245	8.1
61.01680	0.7
61.98702	100.0
67.40785	0.6
71.49529	0.7
76.60338	0.5
83.27980	0.5
102.28341	0.7
152.57466	0.6
380.49881	0.6
385.52966	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	698.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	0.6
59.01249	14.6
61.98705	0.6
69.03328	0.4
69.44657	2.9
69.45068	0.8
71.01250	8.5
72.13836	0.4
72.99187	1.1
73.02822	1.0
77.90186	0.3
80.04941	2.3
83.01257	0.7
85.02833	1.7
87.00749	0.8
89.02312	7.1
95.01244	0.6
96.95886	0.8
98.20601	0.8
101.02322	4.7
104.04943	0.9
106.06521	3.1
107.93435	0.5
108.04421	1.4
113.02319	2.7
116.92735	2.9
117.92747	1.1
119.03384	1.9
122.06003	1.1
123.00825	0.5
130.06494	0.6
132.04478	0.7
134.06012	14.9
135.06310	0.8
136.07596	1.4
146.06001	1.4
148.03918	1.1
148.07574	0.6
152.07080	3.1
158.06140	0.6
160.03914	1.0
160.07495	0.6
161.04532	0.5
162.05542	0.8
174.05486	0.9
180.06557	1.6
181.04930	0.8
186.05452	0.6
188.07071	5.9
189.07391	0.5
206.35695	0.4
210.07837	0.6
211.08698	1.3
223.08673	1.1
223.12303	0.6
224.09280	0.5
225.10245	2.7
227.11827	1.6
227.23688	0.4
234.07729	0.6
235.08771	1.2
236.09492	0.6
237.10297	0.9
238.07413	1.5
239.08078	0.5
239.11858	1.7
240.12047	0.4
249.10237	1.3
250.07300	0.5
251.08228	3.2
251.11780	1.6
252.08974	1.8
253.09821	5.6
254.10390	1.2
261.96710	0.5
263.08096	1.4
264.08896	2.0
265.09756	2.8
265.16541	0.5
266.10452	0.9
267.11313	4.3
268.11771	0.6
277.09836	2.9
278.06940	0.7
278.10501	0.7
279.07718	4.0
279.11356	4.0
280.11771	0.7
289.09753	0.7
291.07693	1.2
292.08600	2.9
292.11377	0.5
293.09277	6.3
294.10007	2.9
295.07529	0.6
295.10864	9.6
296.11282	0.9
297.07797	0.5
305.09329	2.8
306.09833	0.6
307.10864	7.9
308.11386	0.8
314.12466	0.8
321.08835	4.4
321.12234	0.8
322.09207	0.6
323.10361	0.5
328.09805	0.5
333.08664	2.4
339.09689	3.4
343.12030	0.5
351.03265	0.5
351.09802	2.4
372.17001	0.4
398.14835	0.6
400.16681	0.8
414.18256	1.3
440.16150	2.5
442.17645	0.8
458.17081	1.7
468.15463	2.1
486.16620	1.8
502.15674	0.5
504.17627	0.8
536.18835	1.1
602.21313	0.8
620.22772	2.2
622.24115	1.5
638.23499	3.5
648.21667	1.8
666.22998	100.0
667.23334	18.8
698.25574	21.7
698.36035	0.7
699.25940	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	697.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	2.4
59.00995	2.9
59.01249	31.8
59.61121	2.7
61.98677	7.8
62.45938	2.4
69.03320	4.1
69.38156	20.9
71.01239	21.9
73.02792	3.1
74.02341	2.6
77.25140	2.2
77.31821	2.5
78.95757	2.9
79.26608	3.1
79.95609	7.5
85.02817	7.4
88.98698	3.8
89.02294	12.5
95.01212	4.2
96.95885	32.8
98.20567	5.6
98.95451	3.5
101.02324	12.5
102.48767	2.6
108.02055	47.2
109.02812	11.9
113.02305	8.3
115.00237	8.6
119.03382	5.2
125.02328	5.3
128.03419	3.1
133.01328	18.0
133.02861	4.4
139.03891	3.9
140.02174	2.7
148.05161	3.8
149.02269	3.5
152.01060	72.9
153.01814	19.0
161.02310	5.3
161.13284	3.4
167.46992	3.0
175.03902	5.5
178.39069	2.7
179.03477	2.9
187.11334	3.3
193.04988	3.6
196.70915	2.4
211.13499	2.5
241.00195	4.9
253.09192	3.1
267.05075	5.2
285.06064	11.8
404.10574	2.9
411.01248	2.6
429.07227	3.2
473.18210	12.6
491.08548	6.6
517.17035	15.5
521.20984	4.1
665.22003	3.5
679.22540	4.0
697.23267	100.0
697.35400	3.3
698.23798	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31703	0.5
53.76125	0.5
57.03318	0.6
57.54745	0.4
58.00467	0.7
59.01249	19.7
59.75274	0.5
61.98689	0.8
63.43403	0.4
69.03326	1.1
70.12579	0.9
70.12974	1.0
71.01250	9.8
72.99169	1.2
81.03318	0.9
83.01270	1.0
85.02821	4.2
86.59663	0.5
87.00727	0.8
88.98660	0.9
89.02319	5.3
95.01286	2.0
96.95891	2.5
97.02828	0.9
98.20474	0.5
101.02331	4.5
107.01287	0.6
107.04913	0.6
108.02052	42.0
109.02155	0.7
109.02847	10.6
113.02312	2.9
119.03384	1.3
121.02805	0.6
123.00784	1.7
125.02341	1.7
128.80498	0.5
133.02841	0.7
135.04373	1.3
137.02353	1.0
151.00279	2.7
151.03893	1.5
152.01056	66.4
153.01846	15.9
154.02173	0.6
160.01527	0.6
161.02359	1.5
161.09631	0.7
161.13290	2.0
163.03931	0.9
164.12325	0.5
165.01881	0.8
166.02594	4.0
167.03043	2.0
175.03903	1.1
177.01842	0.7
179.03485	0.9
181.04974	4.9
182.05301	2.3
183.05449	0.8
187.11238	2.9
191.03418	0.5
205.05040	0.6
205.12256	2.1
206.05746	0.6
225.03838	0.6
267.05072	1.9
285.06195	12.5
312.58145	0.5
387.10718	0.7
388.10858	0.7
404.13599	0.6
417.15454	1.8
418.15915	2.3
419.16058	2.6
473.18137	8.7
517.17316	7.3
518.17621	1.0
526.02496	0.5
534.95557	0.6
535.18317	2.0
536.20050	0.6
593.32086	0.7
607.22845	0.8
637.23975	2.2
655.25299	1.4
697.23444	100.0
698.23749	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01252	23.0
61.98697	2.3
69.03324	2.1
71.01251	15.9
72.47356	1.0
72.99161	2.1
79.11854	1.0
79.95599	1.7
81.03333	1.1
83.01248	1.5
85.02819	5.2
87.00716	1.5
89.02325	5.9
95.01277	1.8
96.95349	1.4
96.95895	11.0
97.02814	2.0
98.95467	3.0
101.02312	4.1
107.01228	1.1
108.02052	49.0
109.02859	12.0
110.03131	1.2
113.02327	4.0
115.00283	2.6
119.03387	1.8
119.04907	1.2
123.00789	1.1
125.02341	2.3
133.01361	4.7
133.02824	1.8
134.03622	1.8
135.04396	1.5
137.02325	1.0
148.05170	2.2
151.00203	1.4
151.03925	1.9
152.01060	81.0
153.01834	16.1
160.01559	1.4
161.02296	1.3
161.13210	2.9
163.03911	2.5
175.03880	1.5
176.61131	1.1
177.01764	1.0
187.11218	2.4
193.04918	1.5
205.12297	2.5
241.07004	1.3
267.05014	3.1
285.06128	12.1
473.18063	8.4
491.08746	2.2
499.76624	1.1
514.19141	1.0
517.17163	11.8
518.17297	1.5
521.33148	1.6
526.50189	1.0
534.90625	1.1
535.18475	2.4
535.31299	1.3
538.17657	1.1
550.02576	1.1
697.23431	100.0
698.23804	18.0
701.19202	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	697.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37891	0.8
59.00956	1.5
59.01248	27.0
61.46671	0.8
61.98699	3.4
68.83523	0.8
69.03322	3.1
71.01248	15.9
72.99172	2.5
73.02833	1.8
75.00735	1.3
81.03310	1.0
82.78169	0.9
85.02816	6.3
87.00752	1.1
89.02316	8.5
95.01282	2.1
96.00719	0.9
96.95879	1.8
97.02838	2.0
101.02308	7.6
107.04937	1.0
108.02053	49.1
109.02860	14.7
113.02319	4.9
119.03418	1.4
119.04908	3.5
122.06026	1.2
123.00742	1.5
123.04385	1.1
125.02326	4.0
133.02765	1.7
134.03603	1.9
135.04408	3.4
139.03857	1.6
151.00160	0.9
151.03911	2.2
152.01057	82.9
152.07085	2.8
153.01837	16.0
161.02328	3.1
161.13258	1.9
163.03917	4.0
165.01776	1.1
175.03918	2.5
177.05498	1.0
179.03421	1.7
187.11189	3.6
190.05002	0.9
193.05095	1.0
205.12280	2.3
223.06291	0.9
241.07021	1.3
249.11465	1.2
267.05038	3.1
285.06161	18.8
287.22333	1.8
323.10410	1.7
341.11005	1.5
449.27509	2.7
473.18134	11.6
474.18939	1.1
491.28702	6.7
499.15985	1.4
516.38593	1.1
517.17273	17.4
518.17407	1.6
528.85870	1.0
535.18378	2.4
591.35046	1.0
621.23749	1.2
665.21912	13.0
666.22699	2.8
697.23541	100.0
698.23804	19.4
716.82288	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	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81854	0.3
57.24174	0.3
59.01249	100.0
60.01587	1.0
61.98703	5.7
67.90611	0.3
70.46717	0.8
70.47043	0.5
75.85448	0.3
78.95776	11.5
89.31664	0.5
107.69260	0.4
149.00069	0.5
152.99474	0.5
165.78496	0.3
192.40062	0.4
203.68147	0.4
205.15919	1.2
212.81564	0.4
263.10449	0.4
279.23114	0.4
285.12503	0.5
329.24951	0.4
364.27304	0.5
462.12427	0.5
483.58749	0.5
685.07758	0.4
695.31146	47.2
696.31500	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	697.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30388	0.2
52.91996	0.2
54.86863	0.2
59.01249	100.0
60.01583	1.0
61.98713	0.4
64.60816	0.2
70.55418	0.6
71.46328	0.2
78.95787	0.2
86.92979	0.2
110.55963	0.2
120.27930	0.2
121.02838	2.0
121.55037	0.2
157.03839	0.2
157.19153	0.2
191.03468	0.8
209.04552	1.0
215.61307	0.2
270.46417	0.2
341.10852	0.3
452.36185	0.2
591.13348	0.2
593.13226	0.6
694.28674	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	694.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02464	0.8
59.01233	1.3
69.68686	2.7
69.69106	3.0
71.01241	2.2
109.02824	1.7
132.02054	1.7
132.04446	1.5
132.87874	0.9
133.02856	1.6
134.03612	2.5
135.04425	1.5
137.02304	1.2
137.34273	0.9
138.01863	1.2
145.02826	1.1
147.03175	4.4
148.03951	24.7
149.04744	14.5
150.05511	75.6
151.05804	2.7
160.01582	18.1
160.03951	2.7
161.02351	36.7
162.02901	2.1
174.05519	1.7
175.03923	46.9
176.04263	1.4
194.04520	100.0
195.04810	5.8
202.04942	1.9
220.02383	1.0
282.11404	1.7
298.10727	1.3
311.08020	5.4
326.10321	39.4
327.10562	5.3
370.09296	30.1
371.09625	3.6
516.77441	1.1
518.15131	88.0
519.15509	10.6
595.95935	1.0
694.19855	37.5
695.20111	6.6
708.31006	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	695.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.7
63.02264	2.9
65.00182	1.3
69.59926	1.2
69.60331	2.6
72.60954	0.4
81.37082	0.5
83.01249	1.9
83.03089	0.5
95.01302	0.5
98.20538	0.7
102.31860	0.6
107.01270	6.0
144.36774	0.5
148.03879	0.5
151.00267	15.0
152.00661	0.5
163.00267	0.6
164.01050	1.0
165.01804	1.3
169.01324	4.0
175.03964	0.6
177.80211	0.5
185.05948	0.7
195.06593	1.4
199.03915	0.6
211.03853	0.9
213.05527	1.9
225.07500	0.7
227.03479	6.3
229.05002	4.6
241.04984	1.8
255.02965	16.5
256.03534	2.2
257.04532	8.1
258.04721	0.9
284.03238	27.5
285.04019	100.0
286.04373	7.5
297.03909	0.8
327.05151	2.0
330.72305	0.6
330.79825	0.6
408.41080	0.5
440.69348	0.6
447.09286	16.4
448.09595	1.7
480.53308	0.6
489.10379	27.5
490.10712	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	695.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21662	0.7
57.03288	0.8
59.01249	19.0
60.70754	0.7
60.96040	0.7
61.98705	2.0
62.23074	0.7
67.01764	0.8
68.99693	0.7
71.01257	4.6
71.06691	0.9
71.07007	1.3
73.02808	1.6
79.95612	8.3
84.02041	1.0
85.02808	3.0
87.00729	1.3
93.03365	0.8
93.93935	0.7
95.01257	1.6
95.95109	2.5
96.95287	1.6
96.95887	26.0
97.02796	1.0
99.92393	0.8
100.97764	0.7
101.02319	2.3
106.04105	0.8
107.04854	0.9
108.02071	1.0
109.02821	3.4
111.00747	0.9
113.02316	1.6
121.02843	1.8
123.00790	3.7
123.04382	1.4
124.01578	1.2
125.02314	1.3
132.43997	0.7
133.02878	0.8
134.03590	1.5
135.04413	0.9
137.02342	12.3
137.57167	0.8
138.03188	1.6
139.00235	1.6
139.03889	2.9
145.02832	0.9
147.04378	1.7
149.02353	2.1
151.00266	28.8
151.03908	2.7
152.01083	3.7
152.04663	2.6
153.01877	1.2
153.05426	1.3
159.04388	1.8
160.01483	1.4
161.02364	1.6
162.03081	1.2
163.03940	1.9
165.01851	1.6
166.02625	81.9
167.03279	6.2
173.02348	1.1
175.03896	8.5
176.04626	1.2
177.01884	5.0
177.05440	2.2
179.03403	1.1
179.07016	1.1
180.04172	0.7
181.04979	99.2
182.05295	4.6
184.03595	1.4
187.03876	2.7
190.02594	2.4
190.06233	3.2
191.03410	6.3
191.07048	1.2
192.04077	1.8
193.04938	2.2
195.06514	0.9
199.68329	0.9
202.02477	1.2
203.03397	1.9
204.04164	1.7
205.05022	11.9
205.08572	2.4
206.05792	5.4
207.06596	1.9
217.04980	1.1
218.05699	1.5
219.06517	3.5
220.07353	4.7
221.04552	0.8
221.08046	6.9
233.08173	2.3
235.09708	2.0
309.28754	0.9
339.08667	1.7
357.09671	1.8
359.11340	2.5
369.09518	2.2
371.11047	1.0
372.11902	2.4
373.12671	1.0
384.11981	2.3
387.10715	17.8
387.14642	6.8
388.11035	1.9
398.13757	0.8
399.14435	10.6
400.15118	1.4
402.13168	13.1
403.13803	2.4
417.15533	100.0
418.15891	13.4
432.37308	0.9
483.09851	1.5
491.19229	1.4
533.29303	1.2
605.22296	8.5
606.22449	1.9
617.22382	6.4
618.22229	0.9
623.23413	2.0
635.23413	34.9
636.23669	7.1
653.24420	15.1
654.24591	3.9
663.27118	1.4
665.24396	3.1
677.24231	2.2
695.20819	10.4
696.20898	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	693.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32771	1.3
59.01248	9.7
61.98700	15.5
65.87793	1.3
69.52639	6.8
69.53045	2.7
71.01229	3.9
80.04924	5.6
89.02277	1.7
94.02857	16.8
94.06502	1.5
96.95876	5.8
99.21600	1.2
101.02315	2.2
104.04943	2.4
106.06503	2.6
107.03619	2.4
108.04420	4.2
113.02331	2.4
119.04903	2.6
120.04459	1.4
122.06007	20.5
124.07591	1.6
134.05991	8.3
136.07600	9.2
137.02309	1.3
138.05478	5.7
145.02852	2.2
146.06009	3.2
148.03931	3.4
150.05473	5.3
152.07071	50.2
160.01462	1.6
160.03859	1.7
161.02356	2.3
163.03943	1.5
166.05037	1.4
173.04651	1.8
174.05521	2.2
175.03853	4.4
180.06555	7.2
181.04910	1.8
187.06433	1.6
188.07091	14.9
189.07480	1.5
190.04980	5.4
193.04993	1.4
205.05043	1.6
211.08682	3.4
218.04433	1.4
223.06142	1.7
225.10243	4.4
227.11804	7.1
238.07437	2.7
245.12878	6.9
251.08231	3.0
251.11867	2.5
252.08994	3.1
253.09715	9.4
263.08136	1.5
265.09781	2.9
266.10532	1.6
267.11353	5.5
277.09625	2.9
277.12280	1.5
279.07819	3.4
279.11340	4.1
280.08456	2.3
281.09244	1.8
281.12384	1.6
293.09421	2.4
294.10095	4.8
295.03574	1.5
295.10858	36.8
296.11096	3.8
307.10901	12.8
321.08871	1.4
323.10394	3.9
335.12396	5.1
336.12714	5.6
337.12991	4.4
339.09848	2.8
340.10342	2.3
349.13858	1.8
355.12927	9.7
397.41165	1.4
432.19214	4.1
444.14536	2.1
460.18753	29.7
461.19092	5.3
476.18314	2.4
490.18588	3.7
491.39786	1.5
504.17731	100.0
505.17996	15.7
513.23291	2.8
519.25787	1.4
536.20343	68.5
537.20477	15.8
601.22510	2.5
633.25439	4.1
643.23981	3.1
661.25012	5.7
675.26654	2.3
693.28259	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	693.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22847	0.6
52.22730	0.7
55.01760	0.7
57.03322	1.5
58.00472	0.9
59.01249	16.0
61.98692	2.4
69.03296	1.0
71.01252	12.5
71.10741	0.7
71.49474	1.0
72.99167	1.1
73.02824	1.7
75.00777	0.7
75.87106	0.6
78.95759	3.2
83.01262	1.2
85.02822	3.0
87.00729	2.0
89.02316	8.4
91.37044	0.6
97.02831	1.1
99.00743	1.0
99.08009	0.7
99.96402	0.7
101.02325	7.5
105.84843	0.6
113.02302	3.3
113.09595	1.3
119.03374	3.1
122.61977	0.6
125.02316	2.3
143.03375	1.2
152.99539	1.0
161.04486	2.0
171.10173	0.8
179.05487	2.6
195.13821	13.3
211.13402	2.0
219.81186	0.7
223.38835	0.7
235.08183	2.8
241.03368	0.6
253.08910	0.7
277.21719	11.9
278.21890	0.9
295.22760	100.0
295.72861	0.7
296.23108	9.6
397.13455	19.7
398.13721	1.0
415.14575	20.8
416.14816	1.7
676.61108	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	691.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93769	0.7
54.95250	0.7
59.01250	15.6
61.98705	0.9
62.96280	0.8
64.21069	0.7
70.72203	1.4
70.72563	1.1
73.10059	0.8
73.91346	0.7
75.45245	0.8
78.95777	78.7
96.96840	8.2
116.97139	64.6
117.97479	0.8
141.01585	15.9
150.97926	1.1
152.99496	62.2
171.00508	0.9
196.86879	0.6
198.97464	10.0
223.01912	2.6
255.23351	0.9
277.21732	100.0
278.22025	9.2
278.72189	0.7
280.97876	22.0
281.98181	1.1
305.02325	3.6
362.98126	11.3
400.54013	0.7
413.20969	40.4
414.21317	4.5
431.21979	19.3
431.27838	0.8
432.22314	2.0
444.98621	0.9
462.77942	0.7
691.43579	11.2
692.43805	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	693.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.9
61.98668	1.0
66.60938	0.8
69.03297	1.1
71.01249	1.5
71.06876	1.3
71.07190	1.0
79.11105	0.8
80.04930	8.8
81.03312	3.1
82.02837	2.3
83.04893	7.4
85.00027	0.9
85.02797	1.1
89.02311	0.9
94.02857	11.8
94.06493	1.9
95.19602	0.8
95.36005	0.9
96.95868	1.8
98.02361	3.1
101.02316	1.1
104.04927	2.8
106.06504	3.9
107.03648	3.7
108.04422	3.7
110.86405	0.8
113.02324	1.1
120.04433	0.9
122.06003	24.8
123.06284	1.0
130.06503	1.1
132.04416	1.8
133.02858	1.0
134.03641	1.4
134.06010	11.1
136.07584	4.7
136.08498	0.8
138.05489	1.8
139.02646	2.0
146.06024	2.6
148.03923	3.3
148.07559	1.4
150.05476	3.3
152.07076	53.6
153.07382	2.6
160.01590	1.0
160.03922	2.2
160.07614	1.3
161.02345	2.8
162.05638	1.0
166.04951	1.0
174.05472	3.4
175.03925	1.4
180.06586	6.4
186.05508	1.4
188.07092	20.3
189.07463	1.3
190.04915	1.0
191.05504	3.6
192.05986	1.1
210.07927	1.2
211.08711	4.5
224.09409	1.4
224.17638	1.0
225.10252	4.7
225.15996	2.8
227.11823	6.0
229.14357	3.5
237.10326	1.2
238.07509	2.4
239.11800	2.6
245.12956	6.5
248.09546	1.5
249.06497	1.0
249.10358	2.2
250.07280	1.3
251.08200	2.7
251.11865	3.4
252.08893	2.8
253.09775	10.2
254.10205	3.0
255.11217	1.5
261.10272	1.1
264.09027	1.3
265.09741	3.4
266.10452	1.7
267.11261	5.8
273.12244	1.2
277.09741	4.2
278.10446	1.4
279.07703	3.6
279.11340	3.4
280.08438	2.2
281.09119	1.2
293.09241	3.4
294.09998	4.4
295.10855	42.0
296.11227	3.7
307.07462	1.4
307.10873	16.0
313.11838	3.5
319.12738	1.3
323.10468	4.9
335.12399	4.5
336.12979	4.5
337.13022	3.1
339.09787	2.8
340.10306	1.3
345.03986	1.0
389.17264	1.0
392.19714	1.7
402.69675	1.0
418.17838	1.8
419.18323	1.5
432.19522	2.1
451.32947	0.9
458.16986	1.4
460.18774	37.6
461.19040	6.2
463.16696	0.9
473.32324	1.2
476.18167	2.6
504.17755	100.0
505.18170	15.2
536.20386	73.4
536.26813	0.9
537.20685	13.4
572.36469	1.0
599.25287	1.7
619.24023	3.1
620.23993	1.6
643.23944	1.8
661.24829	2.0
674.47052	1.3
675.47369	5.0
692.48041	9.9
693.48981	28.3
694.49109	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	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03313	0.7
58.00468	0.4
59.01250	16.3
61.98687	1.0
63.05719	0.2
69.03322	1.1
69.39962	0.4
69.40372	1.8
71.01251	14.6
72.99183	1.2
73.02817	2.1
75.00742	0.4
78.95770	0.8
81.03310	0.5
83.01265	1.2
85.02824	2.6
85.99966	0.2
87.00745	2.9
89.02319	11.7
89.60882	0.2
90.02675	0.3
95.01229	1.3
97.02824	2.2
97.91506	0.2
99.00773	1.6
101.02325	10.2
103.03937	0.3
110.65315	0.3
111.00770	0.3
111.04415	0.5
113.02336	5.2
113.09623	0.3
114.02651	0.4
116.92686	0.3
119.03383	3.2
125.02332	3.2
131.03403	0.5
133.04854	0.4
143.03413	1.7
149.04466	0.4
152.99475	0.6
161.04445	2.2
171.10162	0.3
179.05518	2.8
179.14365	0.6
183.10193	0.6
195.13841	8.2
196.14410	0.7
201.22475	0.2
205.12233	0.8
205.15923	0.6
211.13374	1.2
221.06599	1.0
223.13332	5.4
224.13803	0.3
225.14899	0.4
228.13594	0.7
229.14392	0.5
231.21165	0.5
235.08173	3.0
253.09346	1.6
256.13171	1.1
263.07602	0.5
265.21741	0.6
275.20166	4.3
277.21625	0.8
287.07751	0.8
293.21213	100.0
294.21555	9.7
305.08755	1.1
323.09741	0.6
397.13477	23.2
398.13901	2.2
413.21231	0.4
415.14554	24.1
416.14874	2.1
654.27692	0.8
691.35199	0.7
716.00598	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79976	1.7
58.00459	2.2
59.01249	45.0
61.98706	16.1
69.03316	3.3
71.01253	39.5
71.16724	3.3
72.99179	2.7
73.02816	6.7
76.07587	2.0
78.95780	5.2
81.03352	2.2
83.01257	3.5
85.02827	6.5
87.00755	6.3
89.02312	31.8
95.01261	3.0
96.95914	2.5
97.02831	7.0
101.02324	28.4
113.02321	15.8
119.03375	10.7
121.10094	18.6
125.02333	13.1
132.02637	1.8
138.94597	2.1
143.03374	5.3
152.99435	2.6
161.04489	4.8
168.74408	2.0
171.10179	53.2
172.10580	2.3
172.58641	1.9
179.05525	7.5
209.11920	2.5
211.13304	3.3
229.76605	2.0
231.21065	4.9
235.05997	1.8
235.08131	10.5
253.09386	2.0
263.07700	2.6
275.20175	45.9
276.20450	6.1
277.21616	5.1
287.07623	2.6
291.78668	1.8
293.21219	95.9
294.21573	8.0
305.08798	4.5
323.09790	2.7
397.13474	100.0
398.13727	8.5
415.14581	44.6
416.14609	5.6
450.07565	2.0
484.49557	1.8
691.35291	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	691.298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54528	1.2
54.60119	1.3
59.01257	20.0
61.98695	3.9
65.10429	1.4
71.01255	8.5
71.19623	1.6
71.19950	1.4
73.02803	3.5
78.95774	4.7
80.04937	9.1
83.18686	1.2
85.02834	2.4
89.02307	4.7
94.02869	20.8
96.95880	10.8
101.02322	3.5
104.04940	3.3
106.06537	1.7
108.04421	1.8
108.08081	6.1
113.02318	5.1
115.91974	1.6
116.92722	5.2
119.03421	1.9
120.07057	1.3
121.05201	4.8
122.05999	4.5
124.03964	3.0
132.37056	1.4
134.06000	5.6
136.03934	2.5
136.07584	88.9
137.07887	3.4
138.05498	9.0
148.03897	3.2
150.05479	5.2
152.07040	3.2
152.99541	2.5
153.04208	2.1
160.03949	1.8
161.04433	1.8
174.05534	3.0
180.06540	2.0
188.07054	4.2
190.04921	1.8
200.10745	1.7
201.10277	5.4
209.11658	4.6
211.08748	2.5
213.10341	5.0
225.10207	4.2
226.11189	1.6
227.11818	3.4
229.09770	8.7
229.13356	11.5
235.08426	1.4
237.10327	3.3
239.11890	3.6
249.10266	2.4
250.07373	2.6
251.08257	2.8
252.08961	1.9
253.09996	3.0
255.11406	5.1
257.09518	1.4
257.13037	4.2
259.10953	2.0
263.08182	3.2
265.06784	1.2
265.09781	8.4
266.10532	1.6
267.11343	5.1
271.10825	1.6
273.12415	4.8
275.10217	1.7
277.09836	3.7
277.21918	3.4
278.06918	5.4
278.10544	3.9
279.07733	7.2
279.11035	7.9
281.13184	2.1
289.11932	4.7
290.12979	2.7
293.09317	20.5
294.09912	7.4
295.10797	7.8
297.12396	6.2
301.11920	14.2
307.10846	7.1
309.12421	5.9
315.43539	1.4
319.12991	25.3
320.13345	2.6
327.13571	4.1
332.14294	1.6
334.11700	5.9
337.08224	10.3
339.13525	4.2
358.12048	2.1
374.14862	6.7
374.19226	1.7
386.14929	3.0
389.40503	1.7
391.15396	1.8
392.15967	3.9
400.16971	1.9
402.18292	2.8
414.14297	1.8
415.18915	2.4
428.15967	4.4
434.16837	1.8
442.17957	3.3
443.18588	8.3
444.19305	7.8
446.17142	2.3
458.21216	6.6
460.18594	3.9
461.19733	2.8
470.17053	4.2
475.14597	1.4
476.22144	7.6
487.17264	8.6
488.18253	18.4
502.19818	23.1
503.19751	5.8
515.26697	2.6
520.21106	2.0
523.23615	3.4
534.22449	43.2
535.22754	5.1
541.24518	5.6
542.24402	1.6
565.24445	6.8
567.22437	3.3
583.25586	22.5
584.26044	5.7
597.26343	1.7
599.24854	4.5
609.23383	3.4
615.28668	11.5
627.24536	20.1
628.24927	4.6
631.27155	2.9
631.36737	2.8
641.26276	7.2
642.26514	1.9
644.94055	1.6
649.37933	4.2
658.26349	4.9
659.27148	100.0
660.27441	19.2
673.30829	1.6
691.29419	16.5
692.30457	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	691.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54689	1.1
57.10938	1.2
59.01246	20.6
61.98710	3.1
71.01260	8.6
71.49882	1.1
71.50285	1.9
73.02825	2.4
78.95786	1.9
80.04503	1.7
80.04919	9.1
83.30921	1.1
85.02811	3.5
88.79002	1.1
89.02325	3.8
89.18255	1.0
94.02862	20.2
96.95872	7.9
101.02319	3.8
104.04955	3.3
106.06477	2.8
108.04460	1.3
108.08095	3.3
113.02299	5.9
116.92727	2.9
119.03365	1.4
121.05238	3.0
122.06035	3.2
124.03957	1.3
128.03357	1.4
132.04413	1.7
134.06012	5.5
136.03951	2.5
136.07576	88.6
137.07939	4.6
138.05499	7.2
146.05952	1.5
148.03862	2.5
150.05478	4.8
152.07071	1.5
152.99478	1.6
153.04239	2.6
160.04015	2.0
174.05481	2.1
175.05106	1.5
180.06577	1.6
188.07091	3.3
190.04915	1.7
201.10327	5.8
209.11874	1.3
211.08701	2.0
213.10300	3.8
225.10332	3.5
226.11029	1.5
227.11897	4.6
229.09819	7.8
229.13374	11.6
237.10312	2.9
239.11917	3.4
245.13020	1.3
249.10400	2.3
250.07416	1.4
251.08209	4.1
251.11600	1.3
251.50827	1.2
253.09766	4.3
255.11339	4.5
257.12891	2.8
263.08279	2.7
265.09778	7.8
266.10403	2.7
267.11331	5.2
273.12540	3.1
277.09842	2.6
277.21613	1.5
278.06903	4.6
278.10477	2.9
279.07678	7.1
279.11319	5.3
280.12051	1.7
281.13098	2.3
289.12128	1.5
291.07648	1.8
292.08786	1.1
293.09311	17.3
294.09949	5.4
295.10806	5.1
297.12411	4.0
299.33057	1.3
301.12012	9.2
306.09830	1.9
307.10815	6.7
309.12445	6.2
319.12970	22.2
320.13382	1.6
327.13489	2.3
330.12436	1.4
332.13965	1.8
337.08313	8.3
339.13589	2.4
351.09650	1.7
358.11917	1.6
372.17215	1.8
373.14194	1.9
374.15024	4.2
392.16107	3.9
414.14380	1.5
415.18976	2.3
416.15750	3.0
416.20465	1.8
428.16309	4.2
434.17188	2.1
442.17673	3.9
443.18243	5.2
444.18927	6.1
446.17444	2.5
458.20731	5.4
460.18607	4.3
461.19620	1.7
470.16928	3.0
470.27350	1.2
471.17670	1.8
476.21811	4.8
487.17490	4.9
488.18176	13.9
489.18536	2.1
502.19751	17.9
523.23456	3.4
534.22491	17.9
535.22791	3.8
541.24677	3.7
565.24799	6.8
567.22223	2.6
583.25592	26.0
584.25934	5.4
597.27020	4.6
599.25079	4.5
609.23822	2.2
615.28241	12.3
616.28009	2.1
627.24359	16.9
628.24908	3.8
631.27802	2.6
631.37390	3.3
641.26251	11.8
649.38147	5.0
659.27167	100.0
660.27563	22.5
673.28949	4.0
691.29315	17.0
692.30432	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	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57398	1.2
57.03319	1.2
59.01252	36.0
61.01229	1.2
61.98704	15.8
69.03316	2.2
69.81313	1.3
69.85454	7.1
71.01255	35.8
71.04897	2.9
72.99185	2.9
73.02808	5.1
78.95764	4.6
83.01258	3.6
85.02827	7.0
85.77415	1.2
87.00741	5.5
89.02318	26.6
95.01273	2.5
96.95866	2.4
97.02846	4.7
99.00762	3.0
101.02326	23.7
113.02329	11.8
116.92822	1.8
117.41431	1.2
119.03413	6.7
119.51369	1.5
125.02359	7.1
130.08662	2.2
143.03394	4.8
152.99481	2.7
161.04446	4.9
169.23726	1.2
171.10165	1.8
179.05478	5.9
183.13794	2.6
209.11829	2.4
209.36992	1.5
211.13297	2.7
221.06729	2.7
231.21130	2.5
235.08087	8.6
235.17000	41.3
236.17334	3.1
253.09256	3.4
275.20148	45.8
276.20441	4.1
277.09567	1.5
277.21738	4.0
287.07727	2.9
293.21222	100.0
294.21594	11.2
323.09940	1.4
397.13486	63.0
398.13763	5.0
413.21182	2.4
415.14578	41.8
416.14761	4.0
471.77533	1.6
486.27203	2.2
648.35797	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	691.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97238	0.2
59.00991	0.3
59.01248	2.3
61.98687	0.4
62.42204	0.2
71.01272	0.2
71.13236	0.3
71.13600	0.2
82.02856	0.2
83.04905	0.6
94.02859	2.3
96.95872	0.4
98.02360	0.5
107.03600	0.3
107.04880	0.4
108.04434	2.4
108.08055	0.7
110.05995	0.3
120.04417	0.8
122.06008	10.4
123.06316	0.4
124.03947	1.5
124.07514	0.3
125.38956	0.3
132.04460	0.5
133.03992	0.4
134.06032	1.5
135.06769	0.5
136.03929	3.4
136.07576	9.8
137.04680	0.6
137.07980	0.3
138.05505	2.6
145.02769	0.2
146.05989	0.2
147.05463	0.4
148.03896	0.8
150.05507	10.0
151.05840	0.3
152.07077	4.3
158.05971	0.4
159.11694	0.6
160.07585	0.3
161.02448	0.3
162.05443	0.2
163.08603	0.4
164.07092	0.6
171.06795	0.3
174.09158	1.0
175.05069	0.3
176.03438	0.9
176.10710	0.3
185.09711	0.3
186.04207	0.5
186.09154	3.5
186.10658	0.4
187.11229	0.7
188.10725	0.6
189.06369	0.3
190.05014	1.3
191.05540	0.3
196.06007	0.3
200.05742	0.4
200.10783	0.4
201.06464	2.8
201.08023	0.6
202.07135	2.1
202.08772	1.0
202.10349	0.3
202.10643	0.2
202.12299	1.8
205.09642	0.3
212.10735	1.7
213.06621	0.7
214.07430	1.0
215.08136	3.1
216.08788	0.5
226.07492	0.2
227.11899	0.6
228.10320	3.5
229.09782	15.1
230.12027	8.5
231.11673	0.8
239.08250	0.7
240.08994	1.1
241.09927	0.3
243.07715	0.5
243.11351	0.4
244.08496	0.7
245.09286	5.0
245.12910	0.9
246.11417	0.4
255.11397	3.9
256.11844	0.3
257.06589	0.4
257.09302	7.3
258.09949	1.7
259.10843	0.7
273.12442	20.5
274.10333	0.5
274.13144	1.2
275.10391	1.9
282.66144	0.2
290.12781	0.5
291.13455	0.2
299.10294	0.7
317.11417	16.9
318.11786	1.2
325.12018	0.4
334.11685	1.0
335.12473	100.0
336.12811	8.2
355.12946	1.8
400.12552	0.4
440.68127	0.2
555.21820	0.3
597.47748	0.2
599.21387	0.4
617.17688	0.3
631.23584	0.4
659.23969	0.3
691.26178	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	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03314	0.8
58.00468	0.9
59.01252	19.7
60.01590	0.4
61.98705	5.9
63.04435	0.3
63.99121	1.0
66.98034	0.4
69.03326	1.4
69.24747	3.6
71.01255	18.7
72.99190	1.7
73.02816	2.7
75.00750	0.4
81.03329	0.6
83.01250	1.6
85.02837	4.7
87.00751	4.1
89.02320	14.6
91.03924	0.3
94.23634	0.3
95.01259	1.3
96.95872	3.7
97.02812	2.5
99.00742	1.2
101.02324	13.4
102.02666	0.3
103.03896	0.4
109.02779	0.5
113.02330	8.1
114.02621	0.4
119.03394	3.8
124.01518	0.5
125.02338	5.3
125.05967	0.5
127.03937	0.4
128.03426	0.4
131.03413	0.7
133.04987	0.5
135.04356	0.4
139.03862	0.4
141.01805	0.5
143.03406	2.5
148.08856	0.5
149.04413	0.4
150.10352	1.0
151.11285	0.6
161.04486	3.5
163.11203	0.7
165.12764	18.0
166.13066	0.6
166.99083	0.4
167.03371	0.4
171.10248	0.9
175.11169	0.5
179.05562	2.9
183.13799	0.4
191.14314	0.5
197.11684	0.6
208.54643	0.3
209.11761	1.6
213.20959	0.4
217.07191	0.4
219.05064	0.5
221.06589	1.0
225.11258	0.7
235.08199	5.6
247.20651	9.5
248.20970	0.7
253.09215	1.9
263.07703	0.7
273.18579	5.2
274.18884	0.8
276.78723	0.3
277.09378	0.7
282.08868	0.4
287.07767	1.6
291.19659	100.0
292.20016	9.4
305.08847	2.1
323.09866	0.8
397.13501	38.2
398.13861	3.9
415.14566	26.1
416.14838	2.1
588.43469	0.5
603.33636	0.4
618.53363	0.4
645.36627	0.5
653.24963	1.3
654.25006	0.5
689.33960	1.0
690.34869	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	691.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25554	1.2
52.20799	1.3
59.01252	8.9
61.98690	2.7
66.53830	1.2
71.01253	3.8
71.50256	1.7
83.01256	1.5
83.04909	2.1
84.00103	1.5
88.57394	1.3
91.27917	1.3
94.02840	2.4
94.06538	1.6
96.95866	3.9
101.02326	2.7
107.03631	3.9
108.04404	2.0
122.02402	1.7
122.06007	35.0
123.90314	1.2
124.03931	4.1
124.07579	2.2
132.04413	2.2
134.05994	5.8
134.42403	1.4
136.03925	4.8
136.07555	6.3
138.05516	5.8
150.05501	8.8
152.07076	43.8
152.99345	1.3
153.07402	2.0
154.62140	1.2
166.05008	2.9
168.06583	7.7
186.09158	2.8
190.04939	6.2
201.06662	2.7
201.11288	1.7
202.12219	1.7
209.11784	8.7
210.12154	1.6
213.10349	2.4
227.08080	1.6
227.12694	1.8
229.09814	13.8
230.12064	7.1
234.07684	1.5
240.09160	1.4
241.09769	1.7
245.09229	5.1
245.12971	2.6
251.11845	1.5
253.09479	3.1
255.11346	4.9
257.09244	7.8
259.10938	1.4
263.08249	2.6
264.08875	2.9
265.09824	1.8
267.11429	2.8
273.12463	18.4
275.10410	3.5
278.10547	1.9
279.11316	10.2
280.11673	2.2
283.10818	1.8
287.10345	1.9
289.12079	1.9
290.12750	1.7
291.11377	5.3
292.11673	1.3
292.63727	1.3
297.11652	1.4
301.11926	2.8
317.11353	17.5
319.13077	8.2
323.10367	2.2
325.12085	1.7
327.09723	1.6
334.11667	3.8
335.12463	100.0
336.12769	6.0
355.13193	7.5
356.13275	2.4
357.14511	1.9
363.77014	1.9
372.13620	2.0
388.16965	1.9
400.12854	2.2
403.15070	2.1
432.15570	4.5
444.19647	3.5
446.17242	4.8
458.15845	1.6
467.22668	2.8
478.19406	1.6
485.24454	1.5
488.18469	10.1
489.19110	1.6
490.16339	1.8
504.18140	2.1
520.21027	20.9
521.20941	3.9
522.18732	5.0
533.20282	1.9
555.22852	3.2
566.17767	3.0
569.23853	2.6
587.25439	3.4
597.23529	14.8
599.21558	4.5
608.53088	1.5
613.23016	3.1
615.24585	10.6
629.26086	8.1
630.26129	3.2
631.24072	4.6
641.22638	9.1
642.22266	2.7
645.25055	1.5
655.23376	1.8
659.23535	25.8
660.24072	3.2
673.25116	5.9
674.24323	2.7
691.26245	11.4
691.38165	2.9
692.27631	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	680.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07935	1.0
50.78682	0.9
55.51062	1.1
69.41551	4.3
69.41979	3.8
71.01244	1.7
71.49371	0.9
72.52122	1.0
105.03303	1.5
109.02816	5.3
121.02832	1.2
122.06044	1.2
123.04420	2.0
131.00433	1.1
131.03651	1.3
132.02057	1.2
132.04468	2.5
133.02844	27.3
134.03352	1.1
135.04489	1.2
146.05971	1.5
148.03958	20.2
150.05508	89.6
151.05862	4.3
151.83929	0.9
161.02348	100.0
162.02695	4.7
174.05476	2.1
194.04510	76.1
195.04810	3.3
202.05034	27.5
220.02437	2.1
246.04051	36.1
247.04370	2.8
310.54190	1.4
312.08826	1.7
348.10599	1.2
353.15826	1.0
356.07733	84.7
357.08066	9.1
518.15143	59.8
519.15588	8.5
680.18402	11.1
681.18341	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	681.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50873	2.1
54.59802	1.7
59.01243	13.7
61.98693	7.0
69.25806	2.1
71.01249	4.2
71.50844	2.8
81.03331	2.6
83.04886	2.3
84.02103	2.6
88.98709	2.1
96.95914	3.8
99.08036	4.0
101.02341	2.8
121.52692	2.1
122.92145	2.1
125.02358	5.8
125.09608	2.8
139.11154	3.2
165.12746	16.9
171.10190	4.8
183.13863	3.5
191.51141	2.4
193.08421	13.7
205.12071	2.8
211.13348	22.4
221.11578	14.1
229.14482	14.8
231.10014	11.9
233.11552	93.9
234.11931	6.2
249.11073	15.1
251.12814	26.7
329.23337	71.5
330.23557	10.9
351.21512	100.0
352.21829	12.2
374.13672	2.4
437.46396	2.1
495.91620	2.4
595.16309	2.4
681.44690	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.4
61.98688	1.0
71.01250	2.9
71.49794	0.4
73.02828	0.7
80.02549	1.2
80.06765	0.3
81.03332	1.3
83.01265	0.6
83.04894	5.2
84.02036	2.2
85.02816	1.5
87.00755	0.4
89.02307	1.1
95.04900	0.6
96.95900	1.6
97.06460	0.5
99.00787	0.4
99.06082	0.4
101.02337	1.6
113.02331	1.7
116.92718	0.4
128.03476	0.5
134.03612	0.9
135.04379	0.6
135.08081	0.8
149.05931	0.4
161.02393	0.9
161.04480	0.4
163.03902	0.7
163.11212	4.0
165.12756	2.9
175.02408	0.6
175.03900	0.7
181.12181	0.9
189.60027	0.3
191.05539	0.5
191.10693	1.5
193.05081	0.7
209.11775	100.0
210.12106	6.8
227.12845	48.7
228.13145	3.0
249.99275	0.4
259.15399	3.0
325.60550	0.4
423.22293	2.9
521.19525	0.4
580.51245	0.4
597.26404	0.5
623.36444	0.7
641.37433	0.6
645.44867	0.4
683.23981	0.6
683.38885	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	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	4.7
57.11470	0.7
59.01249	5.5
61.98713	0.9
68.78284	0.7
71.01260	6.3
71.30047	1.6
72.06126	0.7
78.95749	1.2
87.00786	1.0
89.02324	4.5
92.18739	0.7
95.04903	1.7
97.06464	16.2
99.89122	0.6
101.02328	2.8
103.05657	0.7
113.02313	2.5
121.39667	0.8
123.08058	6.4
125.09611	100.0
126.09951	3.3
143.10725	1.3
161.04552	1.0
169.08638	1.5
179.05630	0.9
187.09677	77.6
188.10060	2.9
200.62849	0.8
253.09264	2.1
258.88519	0.7
261.13467	0.7
277.21722	15.5
278.22195	0.9
405.17560	6.4
410.81470	0.8
423.18701	19.4
424.18967	1.2
458.73398	1.1
588.63324	0.9
683.40057	97.4
684.40430	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	685.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62664	2.4
57.03315	3.1
58.43330	2.3
61.71440	2.2
63.71090	2.2
66.27103	2.4
66.31466	2.3
71.49178	3.7
80.71135	2.6
85.02818	14.3
87.00753	24.8
87.06210	2.7
102.31145	2.6
106.06783	2.8
110.80800	2.3
111.00763	100.0
129.01825	4.6
173.00783	4.8
191.01900	91.0
205.13025	2.6
245.65546	2.6
253.83051	3.1
647.87927	2.7
700.27966	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	686.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
60.26787	0.1
61.98702	100.0
64.36763	0.1
71.01272	0.2
71.29496	0.3
76.03130	0.1
78.95776	0.3
81.21582	0.1
91.45578	0.1
96.95895	0.2
108.97798	0.1
197.11844	0.3
209.11833	0.2
225.11444	0.2
229.06128	0.1
264.21460	0.1
297.11600	0.1
403.79562	0.2
460.17950	0.2
579.83887	0.2
623.24225	0.5
624.24023	0.1
685.29974	0.2
686.31805	0.5
687.31824	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	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	4.7
59.01234	3.1
61.98676	1.0
69.34132	5.2
69.34544	1.6
71.01262	4.3
72.99129	0.9
73.02805	0.8
85.02811	1.4
87.00732	3.1
89.02305	2.1
95.04896	2.0
97.05879	1.3
97.06461	15.1
101.02332	3.7
113.02313	1.8
123.08053	7.6
125.09612	77.1
126.09926	3.6
142.71382	0.8
143.10690	1.2
145.05003	1.2
161.04390	1.7
169.08597	1.2
187.09679	35.0
188.09950	2.1
235.08176	2.1
253.09210	2.7
277.21716	41.8
278.22076	3.3
405.17416	5.0
423.18784	3.8
428.03937	0.8
455.55731	0.9
659.66370	1.1
683.40070	100.0
684.40369	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	0.2
59.01237	0.3
71.01218	0.2
76.12284	0.1
80.04934	0.3
81.03327	8.8
82.20439	0.1
83.04893	21.6
84.05217	0.6
92.19347	0.1
96.95885	0.1
100.07564	0.4
102.68852	0.1
106.13222	0.1
107.06018	0.3
108.04436	0.9
113.02300	0.2
125.07084	1.3
126.05478	0.5
143.08179	0.7
172.31407	0.1
176.29897	0.2
181.67729	0.2
189.14090	0.1
199.18037	0.3
207.14963	1.8
224.17622	3.3
225.16032	13.3
226.16382	1.0
242.18640	0.8
250.15561	0.2
268.16635	0.3
290.22415	0.3
291.20901	0.2
308.23239	0.2
309.21814	0.8
315.97351	0.1
324.26508	0.7
333.22961	1.1
339.27789	0.2
341.29233	0.9
351.24127	0.2
367.27203	0.8
385.28119	0.3
390.30841	0.2
407.33737	0.2
433.31799	1.6
434.32162	0.3
450.34540	1.4
451.32834	5.9
452.32980	0.9
468.35361	0.2
550.43488	0.8
559.39960	0.5
565.44464	0.3
567.45984	0.2
577.40466	0.2
593.44257	0.8
659.48468	1.4
660.48615	0.3
677.49646	100.0
678.49945	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1519
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
56.44970	0.6
59.01247	3.3
60.53424	0.7
61.98694	2.1
65.00209	0.8
66.11646	0.6
69.18623	1.8
69.19041	5.4
78.95762	2.0
83.01262	1.1
85.02784	0.8
89.02318	1.3
96.95884	4.6
96.96841	1.5
101.02310	1.3
107.01232	1.7
113.02293	1.0
127.33414	0.7
132.02090	1.0
134.03577	1.3
135.00806	1.4
135.04399	1.7
141.30891	0.8
145.02858	1.0
146.87389	0.7
150.05562	0.9
151.00255	2.1
152.01176	0.6
160.01573	0.9
161.02338	1.8
161.13326	0.8
175.03979	1.0
176.77415	0.7
177.01839	0.8
178.99693	0.8
179.03339	1.0
183.04398	1.0
187.11281	1.6
191.05676	0.9
199.03960	0.8
203.03435	0.7
205.12346	0.8
211.04019	1.8
227.03444	45.4
228.03812	2.5
229.05020	1.1
239.03691	0.8
255.02959	82.1
256.03485	9.8
257.04318	1.2
267.47195	0.7
283.02521	1.8
284.03253	100.0
285.03802	14.4
286.04410	0.8
335.12582	1.3
471.09421	0.8
499.22058	3.2
520.46100	0.7
635.16162	71.4
636.16467	10.9
679.28027	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	679.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03321	1.0
58.00466	1.7
58.99577	0.2
59.01251	35.0
60.01588	0.4
68.99695	0.3
69.03331	2.0
71.01253	32.3
72.01598	0.6
72.99176	3.0
73.02820	5.4
75.00730	0.6
81.03329	1.4
83.01257	4.2
85.02823	7.1
87.00749	7.7
87.04388	0.4
87.36974	0.2
89.02316	26.7
90.02620	0.4
91.03883	0.7
93.03329	0.3
95.01268	2.1
97.02830	5.7
98.19769	0.6
99.00764	1.9
99.04388	0.5
101.02321	26.7
102.02699	0.3
103.03892	0.4
107.01239	0.2
108.27926	0.2
109.02854	0.6
111.00770	0.6
111.04414	0.9
113.02328	12.7
113.26877	0.2
115.03909	0.8
119.03390	8.3
121.02838	0.8
123.00764	0.3
123.04386	0.3
124.01546	0.4
125.02337	12.0
127.03926	0.5
131.03410	1.3
133.04959	0.9
137.02380	0.3
139.03883	1.1
141.01872	0.6
143.03400	5.9
149.02440	0.3
149.04469	1.1
155.03311	0.3
161.04472	6.3
167.03409	0.7
169.05029	0.4
175.26324	0.3
179.05540	5.6
185.04506	0.6
199.06067	0.4
207.35376	0.3
217.07164	1.4
219.05099	0.4
221.06604	2.5
229.18233	0.3
235.08188	12.7
236.08463	0.4
245.06624	1.0
253.09232	2.9
254.09558	0.3
263.07651	1.4
277.09286	0.8
281.24847	100.0
282.25223	9.0
282.27634	0.1
282.28510	0.3
287.07693	3.7
295.26318	0.3
305.08762	3.1
323.09882	1.4
361.11469	0.6
379.12570	0.8
397.13483	74.7
397.54895	0.3
398.13828	5.7
415.14554	29.8
416.14981	2.9
488.43414	0.3
555.52045	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
57.03305	1.2
58.00462	1.9
59.01250	40.8
60.01583	0.6
65.86193	0.3
67.01764	0.2
68.99691	0.3
69.03326	2.7
71.01253	34.3
72.01598	0.6
72.99178	2.6
73.02817	5.8
75.00750	0.7
78.95811	0.2
79.95614	0.5
80.96388	4.0
81.03326	1.6
83.01257	4.0
83.04922	0.4
84.00899	0.2
85.02821	8.3
85.99969	0.5
87.00751	8.5
87.04452	0.2
89.02315	30.7
89.57530	0.2
90.02660	0.5
91.03879	0.7
93.03336	0.2
94.97993	0.3
95.01262	2.8
97.02830	6.3
98.03185	0.2
99.00745	2.5
99.04389	0.4
99.92459	1.8
101.02322	27.4
102.02681	0.3
103.00201	0.3
103.03912	0.4
105.14559	0.2
109.02813	0.6
111.00757	0.8
111.04440	1.1
112.01514	0.2
113.02331	14.3
114.02674	0.4
114.62476	0.2
115.03876	0.8
115.91953	4.0
116.91981	0.3
116.92744	4.7
119.03384	9.3
121.02807	0.6
122.97468	0.6
123.00788	0.5
123.04425	0.2
124.01539	0.6
125.02332	12.9
126.02676	0.2
127.03945	0.4
131.03384	1.7
133.04956	0.8
139.00247	0.3
139.03902	1.1
141.01837	0.7
143.03398	5.7
148.99097	0.3
149.04433	1.0
152.98508	0.9
152.99603	0.3
156.95903	1.1
159.02928	0.3
161.04457	6.0
164.89336	0.3
164.98631	0.3
167.03421	1.0
169.04945	0.5
170.05630	0.2
171.02888	0.3
172.95448	0.3
179.05527	5.9
185.04428	0.4
199.06024	0.4
203.05592	0.2
217.07071	1.3
219.05060	0.5
221.06644	2.1
225.00757	1.3
229.14651	0.3
235.08185	13.6
236.08539	0.8
245.06683	0.6
248.75577	0.3
253.09280	2.8
263.07648	1.5
277.09198	0.8
277.21649	0.4
279.23276	100.0
280.23627	9.0
287.07718	3.3
290.92734	0.4
293.24744	0.4
305.08774	3.1
323.09818	1.6
324.10510	0.3
341.41867	0.2
361.11334	0.8
379.12332	0.9
397.13470	71.8
398.13840	5.9
415.14548	30.4
416.14944	2.4
567.01929	0.2
577.27441	1.1
579.26392	0.3
595.29272	0.5
677.19379	1.1
678.19482	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	677.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.5
61.98707	0.8
69.41456	1.5
69.41858	4.4
71.01247	1.5
80.04907	3.3
82.02843	3.4
88.50189	0.7
94.02858	45.8
94.05985	0.7
94.06479	5.0
95.03188	1.2
95.38586	0.8
96.04420	2.7
96.95865	2.1
104.04941	1.3
105.05737	1.4
106.06490	2.3
107.03648	7.7
108.04415	2.1
110.06012	1.4
117.39248	0.7
120.04398	1.5
120.08076	31.3
121.08362	1.0
122.06002	48.2
123.06337	1.7
124.07556	1.8
132.04439	4.2
134.06013	10.3
136.03957	2.2
137.04771	1.1
138.04500	1.0
138.05501	16.1
139.02600	2.7
148.03946	1.2
150.05460	2.4
152.07069	96.3
152.87939	0.8
153.07359	4.1
153.95428	0.7
157.10764	0.8
158.02393	1.3
160.03900	2.2
162.05460	1.2
164.07056	2.2
166.05121	1.3
172.07649	1.3
174.05405	1.8
180.06580	1.1
187.08606	1.3
188.28619	1.0
190.05002	5.6
211.08597	1.3
211.12389	1.2
213.10216	1.6
215.11786	2.3
221.10677	1.0
222.07956	0.8
223.08728	9.6
224.09439	3.6
225.10239	3.3
227.11908	1.4
235.08769	1.2
235.12305	1.9
236.09381	2.2
237.10287	14.1
238.11026	5.5
239.11816	10.6
245.12943	3.7
249.06657	2.5
249.10194	2.2
250.07278	2.0
251.08295	4.1
251.11856	6.8
252.12524	0.8
253.13335	2.5
261.12552	1.1
262.07336	0.8
263.08228	6.3
263.11823	1.5
264.08942	10.0
264.11807	1.1
265.09744	8.8
267.11319	2.1
269.12695	1.1
271.10831	2.9
276.09048	1.9
277.09802	4.3
278.10480	4.4
279.11380	33.6
280.08813	1.0
280.11932	6.4
281.12866	1.8
283.10788	2.2
285.12378	1.0
291.11356	7.4
292.12018	4.5
293.09555	1.4
293.12921	2.9
295.10852	5.9
296.11319	1.6
297.12396	2.0
303.13315	1.3
305.09470	1.1
305.12894	1.1
311.14188	1.5
313.11926	1.8
323.10306	8.8
324.11127	4.3
325.11841	3.7
326.12469	1.0
334.15640	2.4
339.09650	1.4
342.12146	0.8
355.12869	3.8
357.14816	1.8
372.17200	1.1
374.14859	1.3
376.16495	3.7
376.20651	1.0
386.14981	1.0
388.16608	2.8
389.17136	1.8
400.16342	1.1
402.18256	12.0
403.18649	3.3
404.19772	2.8
416.20001	2.3
417.20749	1.2
430.17307	2.2
442.17459	1.1
443.18411	1.5
444.19330	10.6
445.19641	2.8
446.17313	1.2
448.18811	7.7
449.19214	2.0
460.18869	1.2
461.19489	3.1
462.20663	4.9
463.21149	1.1
471.17856	2.8
488.18228	14.4
489.19025	15.1
490.19461	2.7
499.23178	1.6
508.21100	1.9
520.20947	24.2
521.21368	5.6
532.64856	0.9
541.24536	12.3
542.24554	2.6
565.24634	0.9
583.25616	9.5
584.25769	1.9
585.23535	28.3
586.23822	6.4
601.26556	6.7
617.26172	31.5
618.26190	4.5
627.24567	22.6
628.24664	5.4
645.25629	100.0
646.25879	20.8
659.27075	17.4
660.27502	3.0
677.28253	30.5
678.28693	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	677.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03313	1.2
58.00468	1.7
59.01251	37.0
67.01775	0.3
68.99696	0.6
69.03326	2.1
71.01253	36.6
72.01575	0.5
72.99180	3.3
73.02812	5.2
75.00763	0.8
78.95767	2.8
81.03351	1.6
83.01256	4.0
83.01714	0.4
83.04912	0.4
85.02831	7.7
85.99961	0.5
87.00749	8.6
88.01087	0.4
89.02317	29.5
91.03899	1.0
95.01274	2.5
97.02827	5.4
99.00751	1.7
99.04427	0.3
101.02323	29.7
102.02679	0.5
103.00285	0.3
103.03918	0.3
109.02873	0.7
110.03699	0.3
111.00783	0.5
111.04403	0.9
113.01537	0.7
113.02332	13.8
114.02647	0.4
115.03905	0.6
119.03386	9.3
119.04816	0.6
121.02836	0.8
123.00813	0.3
123.04456	0.5
124.01553	0.3
125.02335	12.9
127.03898	0.7
131.03374	1.7
133.04979	0.8
139.03873	0.7
141.01854	0.7
143.03400	5.8
149.04460	1.4
152.99521	2.7
161.04453	6.5
163.03938	1.0
163.20857	0.3
167.03419	0.6
169.05075	0.3
179.05519	5.7
185.04475	0.5
187.27985	0.2
199.06097	0.5
217.07184	0.9
221.06610	2.2
235.08192	14.3
236.08513	0.6
241.01123	0.7
245.06615	0.8
253.09293	3.1
261.22278	0.6
263.07739	1.8
277.09351	0.8
277.21591	0.4
279.23285	100.0
280.23618	7.9
287.07748	3.5
293.25040	0.3
305.08792	3.8
306.08862	0.4
323.09750	1.6
337.42935	0.3
361.11499	0.6
379.12457	0.9
397.13483	73.9
398.13834	5.6
415.14557	31.6
416.15002	2.5
595.28912	4.4
596.29132	0.8
677.37970	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	677.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.1
61.98700	0.9
69.03321	0.7
69.28789	3.8
69.29210	2.6
70.08701	0.7
70.65376	0.7
71.01279	0.8
80.04914	3.3
82.02866	3.9
83.01301	0.7
94.02860	46.9
94.06514	4.6
95.03169	1.0
96.04399	3.1
96.95885	0.8
99.00745	0.7
104.04953	0.8
105.05712	1.4
106.06522	2.5
106.50727	0.6
107.03650	7.0
108.04459	2.7
110.05991	1.9
110.31671	0.8
113.02393	0.8
120.04428	1.3
120.08086	31.1
121.08457	1.5
122.06010	47.4
123.06353	2.3
124.07587	2.1
132.04440	4.0
134.06024	11.8
136.03944	2.3
137.04758	1.3
138.05492	18.7
139.02684	2.2
139.05873	0.7
140.47519	0.7
148.03896	1.7
150.05501	4.0
152.07077	100.0
153.07411	2.9
156.06564	0.8
158.02376	2.3
160.01534	0.9
160.03926	1.8
161.02321	0.8
161.04768	0.8
162.05528	0.9
164.07112	2.2
166.05070	0.8
174.05516	2.0
175.03967	0.8
188.70421	0.7
190.05042	5.1
200.07124	0.8
209.10672	0.8
210.07954	1.4
211.08676	0.9
211.12276	1.8
213.10271	1.2
215.11777	1.8
217.13383	0.7
221.10852	1.1
222.07904	1.0
223.08704	8.2
223.12207	1.0
224.09462	3.7
225.10269	4.4
229.09805	0.8
235.08774	1.6
235.12320	2.2
236.09515	2.5
237.10277	15.4
238.10910	3.8
239.11830	9.2
240.12448	0.8
243.11322	0.8
245.12814	4.4
249.06691	2.8
249.10268	2.4
250.07361	1.4
250.11275	0.9
251.08348	3.7
251.11882	9.0
252.08731	1.4
252.12447	1.5
253.13374	2.5
257.12985	1.0
261.10150	1.2
262.07471	0.9
263.08258	7.7
263.11740	1.5
264.09018	12.6
265.09802	8.6
265.12967	1.1
266.10403	1.4
267.11389	2.7
271.10840	2.3
276.09061	2.3
277.09830	6.0
278.10522	5.8
279.11371	40.5
280.08966	1.2
280.11884	6.8
281.12842	2.9
283.10895	1.8
291.11401	11.1
292.11929	4.3
293.09515	1.3
293.12875	1.9
295.10846	6.7
296.11398	1.1
297.12320	1.4
303.13330	1.0
305.09409	1.5
305.12952	0.7
307.10522	0.7
309.08936	0.7
311.14066	1.8
313.11856	1.8
319.13086	1.1
320.13522	1.1
321.13412	1.3
322.09482	0.8
323.10318	9.6
324.11047	4.8
325.11908	2.9
326.12665	1.5
327.13617	0.8
332.17798	0.9
334.15714	1.5
336.11118	1.2
339.09674	1.9
341.11551	1.0
342.12210	1.1
342.16132	0.8
355.12979	3.5
356.13480	0.9
358.15585	1.3
376.16592	3.1
388.16391	2.2
389.17319	1.8
393.65567	0.8
398.18781	0.8
402.18335	8.9
403.18887	1.9
404.19821	1.4
412.16977	0.9
416.19928	3.0
417.20724	1.7
418.17310	1.1
426.17899	0.9
427.18991	1.2
429.16995	1.0
430.17758	1.6
431.18173	0.8
443.18735	1.1
444.19281	11.2
445.19962	2.8
447.17908	1.5
448.18869	5.6
449.19452	1.0
460.18689	0.8
461.19678	4.1
462.20682	4.4
470.17035	1.1
471.18045	2.2
488.18201	22.4
489.18839	12.2
490.19330	2.0
499.23840	1.6
520.20886	47.4
521.21240	9.1
541.24475	8.0
542.25128	1.5
583.25433	8.3
584.25494	1.3
585.23456	23.7
586.24030	4.1
599.25629	0.9
601.26160	5.4
617.26141	25.6
618.26404	4.6
627.24597	27.6
628.24609	4.9
645.25586	83.1
646.25928	15.5
659.27252	16.5
660.27423	4.0
677.28241	23.5
678.28632	6.2
705.13977	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	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35046	0.7
55.01734	1.0
57.03323	1.6
58.00457	2.1
59.01249	35.8
61.98695	2.3
69.03317	2.9
69.50829	3.2
69.51235	1.5
71.01251	39.1
72.01585	0.9
72.99171	2.7
73.02827	8.2
78.95778	5.3
81.03333	3.1
83.01256	5.1
85.02819	12.9
87.00235	1.4
87.00751	21.5
87.04400	1.3
89.02319	28.6
90.02615	1.0
91.03860	0.9
93.33307	0.6
95.01247	3.2
97.02821	8.4
98.20621	0.8
99.00771	2.3
99.04389	0.9
101.02325	37.0
102.02654	0.9
103.00264	1.0
106.27106	0.7
111.00764	0.8
113.02330	21.1
115.03935	0.9
119.03401	9.4
123.00775	0.9
124.01552	0.9
125.02336	19.7
126.02670	1.1
131.03395	1.8
139.03882	0.8
141.01871	0.8
143.03400	10.0
149.04468	1.3
152.99475	2.6
161.04457	7.2
167.03401	1.3
171.02879	1.1
176.60394	0.8
179.05553	6.1
186.38838	0.8
203.05612	1.0
209.11940	0.7
217.07112	0.9
221.06639	1.5
235.08199	18.1
253.09250	10.0
263.07663	1.5
277.21713	100.0
278.22067	9.6
287.07755	5.0
305.08810	5.2
323.09833	4.1
372.60068	0.8
393.30621	0.7
397.13461	47.6
398.13770	3.7
415.14539	52.5
416.14993	3.8
519.71545	0.8
675.35236	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	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01505	0.2
55.01755	1.3
57.03326	1.5
58.00464	2.5
59.01250	50.1
60.01562	0.4
67.01756	0.2
68.99696	0.4
69.03327	2.6
71.01253	44.2
72.01590	0.7
72.98540	0.2
72.99181	3.2
73.02818	7.7
74.91126	0.2
75.00748	1.1
78.95778	0.9
81.03325	2.1
83.01249	4.9
83.04904	0.4
85.02820	8.9
85.99981	0.4
86.03171	0.3
87.00747	9.9
87.04394	0.4
89.02316	38.4
90.02639	0.6
91.03898	0.8
93.03326	0.5
93.79533	0.2
95.01259	3.1
95.04924	0.2
96.01616	0.3
96.96885	0.3
97.02830	7.7
99.00758	2.8
99.04407	0.7
101.02320	35.7
102.02675	0.6
103.00243	0.4
103.03870	0.5
109.02847	0.9
111.00778	0.7
111.04401	1.4
112.01554	0.3
113.02329	17.2
114.02678	0.5
115.03884	0.7
119.03387	10.9
121.02855	0.7
123.00775	0.3
123.04419	0.5
124.01569	0.6
125.02335	14.7
126.02699	0.4
127.03885	0.7
127.07550	0.4
131.03392	1.7
132.20357	0.2
133.04942	1.4
137.02318	0.4
139.03905	1.3
141.01863	0.9
142.02556	0.2
142.36954	0.2
143.03398	6.8
149.02367	0.4
149.04500	1.0
152.99533	0.8
157.04956	0.3
161.04474	8.2
162.04825	0.2
163.03961	0.2
167.03407	0.9
169.04968	0.5
171.02869	0.3
179.03894	0.4
179.05528	7.7
181.04970	0.3
183.43497	0.2
185.04483	0.7
199.06058	0.8
203.05522	0.6
213.66255	0.2
217.07123	1.2
219.05055	0.5
221.06606	2.7
222.06882	0.2
223.00143	0.2
233.06705	0.2
233.22722	0.4
235.08183	15.0
236.08557	0.6
241.01323	0.3
245.06625	1.0
248.18037	0.2
253.09239	4.1
259.20718	0.6
263.07712	1.9
275.20090	0.6
277.09711	1.0
277.21710	100.0
278.22055	11.8
287.07739	3.8
291.23163	0.4
305.08768	4.5
306.09235	0.4
323.09818	1.9
361.11392	0.6
379.12579	1.1
397.13474	83.3
398.13855	7.9
415.14551	35.3
416.14899	3.7
593.27380	1.1
594.26996	0.3
675.36017	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	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32205	0.6
55.01754	1.8
57.03311	1.0
58.00464	2.1
59.01253	51.3
62.03651	0.5
66.24098	0.6
69.03323	2.4
71.01254	39.3
72.01612	0.8
72.99187	1.9
73.02815	6.8
75.00756	0.7
81.03321	1.7
83.01253	3.9
85.02827	8.3
87.00748	9.1
87.04395	0.6
89.02317	34.0
91.81860	0.6
95.01270	2.2
97.02821	8.2
99.00768	2.9
99.04391	0.6
101.02323	32.8
102.02744	0.8
109.02798	0.7
111.00700	0.6
111.04390	1.6
113.02327	15.7
115.03901	0.5
119.03383	11.0
121.02827	0.6
125.02341	14.2
131.03371	1.8
133.04955	0.8
139.03896	1.2
141.01852	0.9
143.03403	6.5
149.04453	1.1
161.04466	7.0
161.78429	0.5
164.38326	0.5
169.04878	0.6
179.05508	7.4
185.04398	0.6
199.06174	0.7
217.07048	0.6
221.06566	2.5
235.08188	15.6
244.36446	0.5
245.06691	1.0
253.09262	4.1
259.20422	0.9
263.07761	2.3
277.21713	100.0
278.22043	11.1
287.07672	2.9
305.08804	3.7
323.09869	1.8
345.06036	0.6
361.11630	0.7
379.12405	1.6
397.13470	74.8
398.13696	7.6
415.14545	32.9
416.14993	3.5
431.70056	0.6
554.27533	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	675.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.8
61.45853	0.4
61.98685	1.0
65.32078	0.4
67.04924	0.4
71.01270	1.9
71.49702	0.7
73.02812	0.4
78.95759	0.8
79.25869	0.4
82.02898	0.5
83.01263	0.4
83.04903	1.3
85.02834	0.6
88.98646	0.4
94.02855	2.0
95.04903	0.4
96.95888	6.8
98.02322	0.4
101.02312	1.1
101.76826	0.4
108.04404	3.2
113.02341	0.8
120.04436	1.0
121.05241	0.5
122.06005	9.0
124.03938	1.3
128.03404	0.9
130.37016	0.4
133.05141	0.7
134.06030	2.9
136.03935	3.7
136.07570	10.1
137.04698	0.5
138.05493	2.7
140.46756	0.4
141.01611	0.8
141.45180	0.4
145.06122	0.4
146.06107	0.5
148.03958	0.6
150.04417	0.6
150.05524	9.2
151.05920	0.5
152.07063	1.7
153.32277	0.4
160.03923	0.5
161.04567	0.4
163.08698	0.7
164.07039	0.5
171.10143	0.5
174.09160	0.7
176.03407	0.6
186.04224	0.5
186.09200	3.1
187.11275	0.4
190.05029	0.9
199.13231	0.7
201.06506	2.1
202.07289	1.6
202.08731	1.3
202.12302	1.8
203.00804	0.4
205.09596	0.5
209.11786	2.1
210.12103	0.5
212.10675	1.4
213.06404	0.6
214.07253	0.7
215.08110	2.6
216.08839	0.9
227.08287	0.6
227.12872	0.6
228.10385	3.5
229.09770	13.9
229.14345	0.5
230.11996	8.5
231.11574	0.8
240.09055	0.9
244.08492	0.8
245.09286	5.1
245.12787	0.7
255.11435	3.2
257.09271	6.9
258.10074	1.2
259.10867	0.7
265.05017	0.5
267.06622	2.5
273.12424	19.6
274.12775	1.5
275.10385	1.5
282.08948	2.3
283.09692	0.9
284.79095	0.4
287.00528	0.5
297.11353	3.6
298.11749	0.5
299.10178	0.8
308.06635	0.4
309.12454	0.5
317.11423	17.2
318.11838	0.8
321.07504	1.0
334.11761	1.3
335.12466	100.0
336.12762	8.6
339.13385	0.9
400.13376	0.5
430.13220	0.9
445.14828	0.9
445.48703	0.4
458.16501	1.2
460.17578	3.3
476.16742	0.7
486.15710	0.8
489.34427	0.6
534.18665	0.7
545.19342	0.7
578.21930	1.3
583.22058	0.7
615.24481	0.6
621.22235	4.1
622.22504	1.0
631.34521	1.3
639.23224	3.7
640.23895	0.8
643.24115	0.8
674.91040	0.4
676.59387	0.4
697.94678	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	675.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00258	0.8
53.04365	0.7
59.00988	1.2
59.01252	9.3
69.03328	1.3
80.04920	10.1
83.04910	0.9
94.02867	4.3
94.06499	2.7
101.25243	0.8
104.04939	4.0
106.06506	4.7
107.03635	5.0
108.04430	4.3
120.04429	1.7
120.08070	1.5
121.05246	1.9
122.06004	34.2
123.03114	0.8
123.06310	1.2
124.03925	4.8
124.07584	0.9
130.06511	1.1
132.04448	2.3
134.05995	6.7
136.03949	7.3
137.04710	2.7
138.05502	6.3
139.02576	1.3
147.05550	3.8
148.03952	4.1
150.05525	14.1
151.05794	0.9
152.07072	55.9
153.07431	1.4
155.77199	0.8
158.02393	1.3
160.03871	1.9
161.03448	1.8
161.04712	1.5
162.05489	1.3
164.07069	1.0
168.06647	1.4
174.05518	3.7
175.05046	4.5
186.05518	1.2
186.07817	0.8
186.12730	1.2
190.05038	4.9
192.06615	1.5
196.06244	1.4
201.10263	16.5
201.12131	0.9
202.12299	1.3
211.08730	1.9
212.09320	1.0
213.10254	10.8
215.11801	1.3
223.08604	1.5
224.09502	1.5
225.10228	1.3
227.08069	1.0
227.11755	7.4
229.09756	24.1
229.13327	7.6
230.10074	2.1
230.13776	1.6
237.10333	1.9
239.11879	10.3
241.09770	3.1
243.11313	1.5
245.12947	15.0
247.10873	3.5
249.10309	1.3
251.45901	0.7
255.11310	9.3
257.12891	7.8
259.10837	1.2
265.09842	2.5
266.10635	1.0
267.11267	4.2
269.13016	1.7
273.12427	8.7
279.11295	1.4
280.12289	0.8
281.09412	1.0
281.12665	1.3
283.10928	1.3
285.12418	1.4
287.10315	1.8
289.11942	8.4
295.10883	5.3
296.11179	1.5
297.12393	2.3
301.11905	27.4
302.12311	2.5
309.12448	3.6
310.12589	1.0
313.11877	8.0
314.12656	0.9
316.10995	1.7
317.11380	1.3
319.12973	100.0
320.13409	9.4
323.10391	7.4
325.11884	3.5
327.13483	5.2
330.12439	2.0
331.13541	1.0
332.14029	2.1
339.09692	1.2
339.13428	0.9
340.10806	0.9
344.10580	2.0
344.14032	2.0
355.12982	6.3
356.13553	1.9
358.12054	1.7
359.12515	1.5
360.13446	2.6
362.14886	1.3
366.18463	1.1
372.13428	3.2
373.14240	2.0
374.15097	14.8
375.15836	1.7
386.15353	1.1
388.16803	1.4
391.15121	6.1
392.16141	15.4
393.16721	2.4
400.12997	2.7
401.13309	0.9
402.14157	1.0
403.15244	2.7
406.18057	0.9
416.16205	8.9
417.16422	1.2
418.14093	2.9
428.16034	1.9
434.17288	8.2
446.17154	2.8
505.16788	0.9
531.26001	2.5
539.22986	2.6
555.25684	1.2
557.24054	19.3
558.24298	4.6
571.25183	1.3
575.25031	1.7
581.24194	6.3
583.22119	1.7
599.25092	76.9
600.25519	16.0
602.23584	4.9
603.24200	1.4
613.23230	1.1
615.24426	1.4
625.22791	1.9
631.27448	1.3
643.24060	96.9
644.24390	20.9
675.26630	30.0
676.27362	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	673.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41181	0.2
59.01252	3.5
61.98697	0.8
70.65321	0.7
71.01258	2.6
71.04880	0.3
73.02814	0.7
80.02544	0.9
81.03318	1.1
83.01266	0.4
83.04896	4.9
84.02029	0.9
85.02814	0.9
87.00771	0.6
89.02304	1.3
95.01273	0.3
95.04898	0.8
96.95876	0.7
101.02330	1.8
109.06502	0.5
111.00778	0.4
113.02330	1.4
119.03384	0.4
122.06026	1.0
125.05985	0.4
125.09621	0.3
128.03439	0.3
135.08049	0.6
143.03355	0.3
145.05000	0.4
147.11699	0.3
152.07086	1.0
161.04477	0.7
163.11206	3.9
163.42796	0.2
165.12753	2.4
171.10181	2.6
179.05473	0.3
180.04201	0.3
181.12247	0.9
181.70552	0.2
185.11789	0.4
191.10744	1.0
199.13327	0.5
209.11768	100.0
210.12105	6.0
211.13309	0.3
221.11794	0.3
223.13359	0.3
225.11349	0.3
227.12836	14.9
228.13167	0.9
235.08264	2.0
247.13391	1.0
253.09262	6.2
254.09799	0.3
265.14301	0.2
281.13101	0.3
317.28146	0.3
339.05127	0.2
401.23236	0.4
419.24118	0.4
437.03964	0.2
445.20816	0.7
463.21936	0.3
490.19968	0.5
518.18866	0.3
554.06152	0.3
574.61517	0.2
609.22894	0.3
637.32178	1.1
641.23590	0.7
655.34241	0.6
673.37891	0.9
674.36871	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	675.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07807	0.8
59.01250	7.9
61.49492	0.9
61.98710	1.2
69.80499	4.5
71.01262	1.3
77.79848	0.9
79.24939	0.8
80.04926	8.5
84.04487	0.9
86.90295	0.8
94.02855	2.5
94.06516	2.4
99.19446	0.8
104.04954	2.6
105.38795	1.0
106.06490	3.1
107.03650	4.9
108.04388	3.2
120.04385	1.4
120.08087	2.0
121.05212	1.3
122.06003	29.7
124.03909	3.4
124.28580	0.9
132.04463	2.5
134.06018	7.1
136.03937	5.2
137.04660	2.1
138.05490	5.0
139.02647	1.9
147.05515	3.4
148.03880	2.4
150.05511	10.9
152.07071	38.3
153.07442	1.0
160.03885	1.4
161.04742	1.1
162.05547	1.2
174.05478	3.3
175.05046	2.2
190.05016	2.1
201.10258	14.5
212.10768	1.1
213.10237	7.5
223.08652	2.0
224.09589	1.2
227.11832	4.9
229.09767	17.3
229.13324	6.8
230.10004	1.0
237.10291	2.0
239.11873	6.6
241.09750	2.7
243.11349	1.5
245.12907	11.0
247.10870	2.9
249.06787	1.0
251.07898	1.2
255.11320	6.0
257.12930	3.3
265.09851	3.2
267.11227	1.3
273.12408	5.5
277.09589	1.8
279.11383	2.0
289.11896	5.1
291.11301	1.6
295.10727	2.0
297.12466	1.9
301.11893	19.1
302.12247	1.4
309.12366	2.6
313.12012	4.9
315.09927	1.2
319.12973	65.7
320.13327	5.3
323.10382	6.4
325.11963	3.6
327.13559	3.8
330.12106	2.1
344.10199	1.2
355.12964	7.3
358.11761	1.7
359.12546	2.2
360.13574	2.5
372.13193	2.5
373.13821	1.0
374.15054	9.4
386.11050	1.5
387.11908	1.3
391.15256	3.1
392.16034	9.6
393.16458	1.4
400.12915	1.6
403.15268	2.1
416.16122	5.0
418.13873	1.2
432.15536	1.5
433.15939	1.0
434.17084	5.3
446.17172	2.4
531.25958	2.1
539.22681	3.3
557.23993	15.4
558.24292	3.7
571.25555	2.4
575.25256	2.0
581.24042	5.1
583.21887	1.8
584.22986	1.1
599.25092	70.6
600.25482	14.2
601.22998	2.2
602.23621	5.6
615.24438	1.8
625.22906	1.9
643.24048	100.0
644.24371	18.2
675.26514	28.2
676.27008	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	673.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	9.4
61.98697	4.9
68.49953	1.3
69.52718	5.7
69.53132	4.0
71.01235	1.8
73.02814	1.7
75.08430	1.2
80.04929	9.8
87.00764	1.7
89.02264	1.8
94.06502	4.6
96.95885	4.5
98.19780	1.8
98.95450	1.4
104.04934	5.0
106.06513	7.6
107.03629	8.8
113.02306	1.6
116.92738	4.9
117.92747	2.1
120.04417	4.4
121.05225	3.0
122.06004	74.2
123.06327	3.1
128.03441	2.2
130.06604	1.5
132.04413	2.5
134.06006	19.9
136.01526	1.6
136.07553	2.8
139.02643	2.8
146.06046	2.0
148.03926	3.2
150.05489	2.7
152.07074	100.0
153.07402	5.3
155.94635	1.2
160.03961	4.3
160.06367	3.1
164.03430	1.5
164.07111	1.7
171.10091	1.6
173.04880	1.6
174.05484	6.3
180.06548	4.6
188.07053	8.4
190.05028	1.9
193.52176	1.3
209.09901	2.7
209.11775	39.0
210.12177	2.8
211.08719	5.8
213.10291	12.7
223.08699	2.8
224.09566	2.0
225.10207	8.0
226.10948	3.1
227.12738	8.2
235.05986	1.4
235.08568	2.9
237.10239	5.8
239.08171	3.6
239.11844	20.3
240.12311	2.7
241.13475	8.9
245.12912	11.9
249.10225	2.3
250.07378	3.8
251.08075	3.6
251.11874	5.4
252.08955	3.9
253.09724	13.8
254.10376	1.9
263.08185	2.7
263.11783	1.5
264.08997	3.0
265.09811	9.1
266.10474	3.1
267.11340	7.3
277.09793	4.5
278.06979	4.2
278.10541	4.4
279.07727	10.7
279.11301	5.6
280.08472	1.8
281.09225	1.8
285.12454	32.7
286.12726	4.0
289.09821	2.0
291.07547	1.6
292.08539	3.4
293.09308	24.6
293.12918	7.8
294.10172	10.4
295.10843	22.1
296.11310	3.0
297.12488	2.0
305.08798	1.5
306.09982	3.3
307.10944	12.3
309.12439	3.5
313.12033	8.8
316.14508	2.4
323.10416	7.2
325.11981	7.0
326.12723	2.0
332.17532	2.5
337.08316	13.4
338.08679	3.0
339.09750	3.4
339.13803	1.8
342.11981	2.1
343.13391	2.1
344.13956	3.2
351.09729	2.3
355.13095	4.8
356.13757	2.0
356.17776	4.9
357.14648	2.6
358.15567	17.7
359.15958	2.4
370.15353	1.9
384.13458	6.3
385.14209	4.4
388.16452	2.6
398.14969	2.2
400.16589	17.7
401.17447	2.6
412.16666	5.7
417.16815	4.4
418.17258	4.0
419.18484	3.2
431.18549	1.9
432.19421	8.8
433.19412	1.8
444.15475	4.0
458.17212	2.3
459.17963	9.7
460.18649	18.5
461.18695	1.6
462.16565	3.7
463.17169	7.7
474.20172	4.7
476.18097	5.0
477.19055	2.2
478.19760	7.7
497.25400	3.9
503.16840	2.5
504.17764	22.3
505.18042	4.5
509.22021	1.7
518.19220	22.7
519.19678	4.1
521.25500	3.4
523.23737	10.8
524.23804	3.0
535.19629	1.9
536.20294	16.0
550.14050	2.8
550.21936	34.0
551.22211	7.2
565.24463	62.9
566.24750	14.4
568.23334	3.7
597.27417	9.5
609.23529	60.3
610.24158	9.2
641.26093	70.6
642.26514	19.8
673.28729	84.0
674.29022	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83614	0.3
59.00990	0.5
59.01250	4.3
61.98678	0.3
71.01246	2.1
73.02800	0.5
73.77727	0.4
80.02546	1.2
80.04921	1.4
81.03315	0.9
83.01237	0.4
83.04890	4.2
84.02039	1.1
85.02796	0.8
87.00761	0.6
89.02311	1.4
94.06480	0.4
95.04903	0.7
101.02319	2.3
101.21093	0.3
104.04939	0.6
104.52662	0.3
106.06504	0.7
107.03647	1.3
113.02328	1.6
113.99802	0.3
120.04443	0.5
122.06005	9.8
123.06342	0.3
132.04453	0.5
132.52785	0.3
134.06000	3.0
135.08025	0.5
148.03894	0.8
150.05458	0.7
152.07079	13.0
153.07417	0.5
160.03935	0.6
160.06261	0.3
161.04510	1.1
163.11180	3.2
163.27631	0.3
165.12791	2.3
171.10162	2.0
174.05490	0.6
180.06538	0.5
181.12315	0.8
188.07088	1.8
191.10686	0.6
199.13527	0.3
209.11768	100.0
210.12112	5.4
211.08777	0.4
213.10298	2.1
221.11909	0.4
223.13007	0.3
224.09444	0.4
225.10330	0.6
226.11087	0.5
227.12856	11.9
228.13045	0.6
235.08272	1.6
237.10394	0.7
239.11964	0.9
241.13441	1.2
245.12994	1.5
247.13426	0.9
249.10693	0.5
250.07472	1.0
251.08171	1.1
251.11964	0.6
252.09006	0.7
253.09315	6.3
254.09805	0.6
263.08221	0.6
264.08755	0.4
265.09732	1.7
266.10486	0.7
267.11438	0.9
277.09802	1.1
278.06967	1.7
278.10501	0.8
279.07718	2.0
279.11072	0.8
280.08517	0.4
285.09619	0.5
285.12494	3.6
291.07739	0.6
292.08450	0.4
293.09378	7.6
293.12979	1.0
294.10107	2.0
295.10831	3.6
296.11298	0.5
305.09204	0.4
306.10117	0.8
307.10886	1.6
309.12442	0.5
310.12817	0.3
313.12045	0.7
323.10358	0.9
337.08234	3.4
338.08737	0.8
339.10043	0.5
355.12952	0.4
358.15546	0.6
375.21683	0.5
384.13477	0.4
400.16632	1.1
412.16614	0.4
417.17142	0.6
430.13693	0.4
432.19327	0.9
444.15738	0.5
445.20761	0.5
458.17230	0.7
459.18069	1.9
460.18768	2.3
461.19797	0.4
474.20377	2.1
476.18210	0.7
487.17163	0.4
498.88480	0.3
503.17126	1.2
504.17731	6.0
505.18436	0.7
518.19312	9.6
519.19580	1.8
523.23486	0.4
535.19696	0.7
536.20667	0.8
550.21942	7.2
551.22363	1.0
565.24573	7.6
566.24774	1.8
597.27319	1.3
609.23651	2.9
610.23877	0.9
637.32025	0.7
641.26135	15.6
642.26392	4.9
673.28650	4.4
673.38696	0.5
674.28711	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	673.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48201	0.7
59.01252	4.5
69.41695	2.6
69.42119	3.1
80.04922	6.6
94.06483	3.4
104.04929	2.5
106.06517	4.2
107.03632	6.0
120.04431	2.0
121.05207	1.4
122.06004	47.8
123.06332	1.5
130.06476	0.8
132.04430	2.2
134.06001	12.6
136.07547	1.8
139.02678	1.2
146.06001	1.6
148.03915	3.3
150.05530	0.9
152.07076	60.9
153.07367	2.5
160.03903	1.7
160.06348	3.6
161.04626	1.0
174.05481	3.6
180.06541	2.1
188.07094	7.7
190.04939	1.8
197.07249	0.9
198.12801	0.9
211.08647	2.8
212.09140	1.0
213.10248	12.6
214.12291	1.0
223.08698	2.1
223.12167	0.8
225.10310	4.7
225.13014	0.8
225.28560	0.8
226.11046	1.7
227.11897	2.9
235.08696	1.3
236.09377	0.8
237.10323	3.2
238.07333	1.7
239.08084	1.0
239.11855	12.3
240.12300	1.0
241.13422	8.5
245.12909	8.0
246.13202	1.0
249.06688	1.2
249.10321	2.2
250.07375	3.1
250.64027	0.8
251.08182	3.3
251.11874	3.2
252.08922	2.4
253.09766	5.0
254.10115	1.0
261.10367	0.8
262.07639	0.8
263.08243	2.2
264.09006	1.8
265.07025	1.0
265.09821	7.5
266.10370	2.4
267.11429	3.9
268.12109	0.8
277.09634	3.5
278.06934	5.3
278.10446	2.5
279.07703	6.8
279.11304	3.4
280.08438	1.4
281.09598	0.7
285.12418	26.4
286.12674	2.1
291.07913	1.4
291.11142	1.2
292.08536	1.7
293.09296	15.0
293.12939	8.3
294.09998	5.7
295.10837	17.6
296.11185	2.4
306.09949	2.3
307.10812	8.6
308.11313	1.9
309.08887	0.8
309.12430	2.2
310.12964	0.8
313.11981	5.8
316.14478	0.9
323.10330	7.2
325.11942	3.6
326.12494	0.9
332.17609	1.1
337.08295	9.3
338.08682	2.1
339.09796	2.8
342.12335	1.2
343.13266	1.3
344.14066	1.6
351.09610	1.9
355.12982	2.4
356.14014	1.2
356.18015	0.8
357.15045	1.6
358.15527	9.2
359.16202	1.2
370.11606	1.3
384.13528	2.9
385.14163	1.1
385.35068	0.8
392.19672	0.9
400.16623	11.1
401.17072	2.5
412.16507	3.5
417.17087	2.1
430.13892	1.2
431.18573	1.8
432.19284	3.7
444.15170	1.7
458.17236	2.3
459.17529	5.0
460.18689	9.3
461.19174	0.9
462.16635	2.0
463.17389	1.7
474.20389	6.4
476.18289	4.6
486.16644	2.2
490.40149	0.8
497.25366	2.3
503.16965	3.5
504.17700	20.3
505.17947	2.5
508.20459	0.9
518.19312	22.3
519.19617	4.0
523.23608	4.4
524.24084	1.1
536.20502	5.1
550.21936	16.9
551.22205	3.8
565.24524	67.2
566.24860	13.3
568.23016	1.0
597.27557	7.6
598.27490	2.5
602.93091	0.8
609.23505	33.3
610.23804	7.8
641.26141	100.0
642.26392	27.8
673.28619	18.0
673.39490	1.5
674.28857	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	673.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	15.4
61.98694	8.6
64.98444	2.0
69.43893	5.7
69.44314	10.6
71.01255	7.2
79.95637	2.0
83.04901	3.0
85.02812	3.4
88.03955	2.0
89.02306	5.1
94.06490	6.2
96.95879	8.7
101.02322	4.7
107.03660	16.1
108.04514	2.4
113.02301	2.3
120.04422	2.8
122.06007	80.5
123.06324	3.9
124.03917	2.5
134.03656	2.3
134.06009	6.8
136.03905	3.4
139.02640	6.7
147.20546	2.4
150.05478	6.6
152.07080	100.0
153.07378	3.0
156.82925	1.9
166.51242	1.8
199.13394	2.6
209.11765	31.9
225.04233	3.7
227.12881	9.0
235.08580	2.5
238.91100	2.0
253.09308	3.5
262.07330	2.1
277.09869	5.7
301.03442	3.4
317.11203	2.9
342.12524	3.8
358.12149	2.5
370.11942	3.4
372.13690	4.5
384.13684	3.0
386.11127	5.7
386.15115	5.4
402.14691	3.1
404.16370	5.0
414.14532	7.1
417.13269	5.7
426.14639	3.9
432.15601	30.9
433.16019	3.9
444.15576	12.4
445.16092	2.6
464.17883	5.9
511.36414	2.6
515.02661	2.4
530.79254	2.1
569.23627	6.3
597.13849	4.6
597.23499	92.6
598.23706	17.7
629.25928	48.5
630.26398	7.2
641.22473	46.4
642.22980	10.0
673.25012	46.4
673.35919	3.9
674.25446	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	673.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18383	3.0
59.01252	19.2
61.98702	9.3
71.01261	7.3
71.49852	5.7
73.57663	2.5
78.95779	5.0
83.04916	4.6
89.02298	3.0
101.02320	9.0
113.02339	3.5
122.06001	34.5
134.06030	6.2
152.07068	43.9
163.11269	4.9
171.10173	3.9
176.53923	2.9
188.07051	6.2
199.13330	8.2
209.11771	100.0
210.12091	6.8
211.13284	7.4
213.10300	4.0
227.12831	36.0
239.12225	3.1
241.13405	3.8
253.09435	12.2
265.09781	11.4
266.18857	3.3
267.11261	6.1
270.58194	3.3
277.09610	4.2
278.06955	8.3
279.07709	9.9
285.12436	10.2
293.09424	26.3
294.09912	6.4
295.10941	7.6
296.11151	4.1
306.10068	5.0
307.10724	8.4
337.08243	14.8
338.08862	3.5
351.09860	3.8
358.15927	3.4
419.24191	3.8
423.53946	3.7
431.18237	4.2
458.16971	4.4
459.17957	8.9
474.20129	8.9
503.16962	6.5
504.17688	10.1
518.19293	40.4
519.19788	7.5
535.20026	4.9
550.21936	58.1
551.22125	13.3
565.24445	24.0
566.24194	4.7
609.23761	13.3
637.32025	3.4
641.26337	37.8
642.26398	7.5
673.28253	8.6
673.39044	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	671.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
55.56206	0.6
57.03298	1.3
58.00457	0.8
59.01250	47.3
61.98692	2.6
69.42945	0.7
69.99057	2.1
71.01252	22.8
72.99168	1.7
73.02817	6.2
80.07659	0.6
83.01241	3.3
83.04866	0.7
85.02821	11.5
87.00732	1.2
88.84154	0.6
89.02320	10.7
95.01259	2.3
96.95903	1.8
97.02812	1.2
99.00730	2.3
101.02322	13.1
111.00742	1.1
113.02323	12.7
119.03420	3.7
122.06006	1.7
124.01546	1.2
125.02336	1.9
129.01820	1.1
129.14156	0.6
131.03360	0.7
134.06041	0.6
141.55702	0.6
143.03406	2.4
151.07556	0.6
152.07071	2.4
159.02911	1.3
161.04486	3.6
163.11221	0.6
179.05565	1.5
190.04971	1.9
198.09175	2.5
200.35870	0.6
207.10161	1.3
209.11714	2.2
223.08611	0.7
225.11264	2.2
226.07428	1.7
227.12779	1.2
228.08992	3.0
239.11833	11.5
240.12144	0.7
241.09785	70.6
241.42345	0.6
242.10152	5.0
243.11342	1.2
255.11284	1.1
255.23297	1.1
256.12149	42.0
257.12549	2.9
300.11200	8.8
301.11484	0.7
303.21210	0.6
315.13498	100.0
316.13785	8.1
330.16205	1.5
355.13016	7.1
356.13818	1.1
449.28860	1.6
467.30087	4.9
489.43631	0.6
495.24341	1.0
563.22980	1.3
595.25958	3.5
611.34326	36.0
612.34576	4.2
629.35388	36.0
630.35345	3.7
653.32196	0.9
671.34070	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	671.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34549	0.5
55.01755	2.4
56.49765	0.6
57.03333	2.9
58.00468	1.9
59.01250	100.0
60.01576	0.8
61.98700	1.0
64.25681	0.6
68.70290	0.6
69.03310	0.9
71.01251	59.1
71.77781	0.7
72.01608	0.6
72.99177	2.8
73.02815	12.0
75.00755	1.0
78.95789	0.8
81.03345	0.6
83.01260	5.5
84.02061	0.5
85.02818	23.8
85.99983	1.0
87.00742	3.2
89.02317	20.0
95.01276	4.8
96.95883	1.2
97.02797	3.0
99.00751	6.5
101.02322	30.7
102.02721	0.7
102.05472	0.8
111.00750	2.3
112.01563	0.8
113.02334	27.9
113.48122	0.5
119.03392	8.2
124.01524	2.9
125.02336	4.3
128.03436	1.7
129.01836	2.3
131.03394	1.1
143.03410	6.5
159.02875	1.7
161.04472	9.6
179.05530	1.9
205.01038	0.5
207.10185	1.0
209.11765	2.1
225.11276	1.4
253.09360	0.6
279.11496	0.6
328.26163	0.5
449.29126	3.3
467.30130	9.5
468.30298	1.6
507.29770	0.6
520.20526	0.8
537.31067	0.6
547.32629	0.8
575.32391	1.5
611.34302	76.9
612.34644	11.8
627.32465	2.1
629.35400	78.0
630.35645	11.2
671.36835	4.5
672.36615	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	671.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77388	2.7
59.01248	26.2
59.46725	2.4
61.98712	7.5
62.06559	2.8
66.79119	2.4
67.91450	2.5
71.01242	12.6
71.49780	4.8
72.99133	2.4
73.02831	5.8
78.95762	5.5
79.88268	2.5
81.91457	2.5
85.02848	5.5
89.02319	7.6
94.06489	5.6
96.95920	3.9
101.02329	9.4
102.05516	5.2
107.03658	11.0
113.02343	5.7
122.06015	67.1
125.09570	3.3
128.03409	7.6
134.05989	10.0
139.02652	4.5
141.01447	2.9
152.07076	95.0
152.99495	3.4
153.07434	4.1
163.11246	3.3
186.05609	3.2
207.10239	9.5
209.11771	19.2
225.11415	15.6
227.12892	9.3
235.08615	4.7
237.10263	5.6
242.71849	3.2
250.07448	10.5
251.08116	3.9
255.07747	3.3
263.08234	7.1
265.09821	23.7
267.11267	4.3
277.09732	10.4
278.06906	13.0
291.07819	6.3
293.09326	92.1
294.09741	6.8
305.09338	31.6
306.09927	6.7
315.13391	3.1
318.74634	2.9
319.75555	3.0
326.20941	3.0
337.08313	4.6
370.15820	3.6
383.12360	4.6
384.13351	3.8
389.25253	3.0
391.44363	3.0
398.14966	13.2
410.14923	5.0
416.16550	3.4
423.16910	2.8
429.16821	3.2
430.17688	13.3
458.17224	44.6
459.17453	7.0
461.20602	4.0
472.18820	5.1
484.15121	5.5
490.19913	8.8
502.16196	95.4
503.16559	11.7
504.21994	6.6
517.18524	32.3
518.19128	3.7
534.18811	28.3
535.18799	5.8
548.20789	4.6
549.21069	7.4
550.21722	3.7
563.23059	28.6
564.23755	4.7
595.25507	12.2
596.25378	3.3
607.22040	10.7
608.22339	5.5
627.32452	8.4
639.24603	100.0
640.24847	17.5
653.31854	4.9
670.39020	4.8
671.26135	21.6
671.40564	5.0
672.27826	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	669.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.0
57.03319	1.9
58.00463	1.1
59.01251	19.7
60.01587	0.3
61.98695	0.7
63.76449	0.2
69.03323	0.7
69.25577	1.7
69.25999	1.1
71.01252	27.5
72.01593	0.3
72.99175	2.1
73.02816	6.2
75.00730	0.9
78.95757	0.5
80.22896	0.3
83.01255	4.1
85.02824	12.5
85.99968	0.4
87.00763	1.7
89.02319	8.6
95.01257	2.5
97.02819	0.6
99.00762	3.4
101.02321	19.0
111.00770	2.4
113.02330	9.2
119.03389	3.3
125.02349	0.7
129.01833	0.9
130.03027	0.3
131.03342	0.4
141.01804	0.6
143.03333	0.4
145.02850	0.4
157.57539	0.3
159.02896	1.0
161.02402	0.3
161.04478	1.9
171.13802	0.5
179.05492	0.6
203.01953	0.5
221.47206	0.3
234.94566	0.3
299.25912	0.4
300.11783	0.3
323.71906	0.3
345.30093	2.4
346.29977	0.3
507.35361	9.9
508.35471	1.1
669.40631	100.0
670.41034	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	667.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02046	0.5
55.01746	2.3
55.03833	0.6
57.03312	2.4
58.00449	2.1
59.01249	42.6
61.98698	2.7
69.03325	0.7
69.48009	4.6
71.01254	41.1
72.99187	4.7
73.02820	7.3
75.00758	0.7
78.95785	0.9
79.95591	0.7
83.01258	4.6
85.02825	16.0
87.00749	2.5
89.02319	20.1
95.01270	3.6
96.95873	3.3
97.02830	1.6
99.00756	2.7
101.02325	27.6
102.02696	0.6
111.00799	2.8
113.02336	14.9
116.92744	0.7
119.03385	9.5
122.09030	0.6
125.02392	0.7
127.05006	1.0
128.03424	0.7
131.03320	0.9
143.03386	1.5
145.02829	1.6
145.06041	0.8
153.05455	2.5
154.99373	0.7
159.02838	1.1
161.04469	3.3
161.05673	0.6
163.03946	1.4
165.65559	0.6
171.13745	0.7
178.56415	0.6
179.05539	3.1
185.15350	0.8
202.00928	0.6
205.05038	0.9
211.05751	0.7
231.08940	0.6
251.02942	0.6
265.07184	1.5
300.55884	0.7
311.09241	0.9
343.28476	1.2
487.32758	2.7
505.33743	11.4
506.34070	2.0
667.39111	100.0
668.28131	1.1
668.39465	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79824	0.1
59.01250	1.6
61.98687	0.5
63.02274	0.6
65.00191	1.1
70.90001	0.3
71.01251	1.5
73.02813	0.4
78.95768	0.4
83.01264	1.5
85.02824	0.9
88.06314	0.1
89.02316	0.7
91.01767	0.2
93.03320	0.3
95.01254	0.3
96.95892	0.2
99.00779	0.2
101.02324	1.2
106.92277	0.2
107.01270	2.6
108.02107	0.2
109.02823	1.8
111.00742	0.2
113.02323	0.7
119.01273	0.2
119.03369	0.2
121.02845	1.5
123.00793	0.1
124.01542	0.2
125.02347	0.3
132.80202	0.1
133.02809	0.2
135.00713	0.2
135.04402	0.2
137.02347	0.4
139.03888	0.5
146.03632	0.2
147.00716	0.1
147.04433	0.2
148.01552	0.2
149.02347	1.2
151.00278	8.8
152.00647	0.4
155.14867	0.1
157.06404	0.2
159.04428	0.5
161.02377	0.3
161.04510	0.2
163.00276	0.9
163.03973	0.2
163.96498	0.2
164.00992	0.3
165.01859	0.5
166.05096	0.2
167.04950	0.3
169.01340	0.7
170.03709	0.2
171.00481	0.2
171.04395	0.3
173.05878	0.2
175.00327	0.5
175.03958	0.3
178.99788	4.0
183.04419	0.5
185.05977	0.3
187.03951	0.6
190.02621	0.6
192.00507	0.3
199.03888	0.3
201.05444	0.5
203.03444	0.2
205.04984	0.4
211.03954	0.7
213.01813	0.5
217.04971	0.2
227.03427	1.2
228.03978	0.2
229.04930	0.3
231.02817	0.1
243.02876	0.2
245.04456	0.6
255.02963	1.5
256.03604	0.4
259.02359	0.2
271.02515	0.5
272.02856	0.2
273.03925	0.4
283.02383	0.2
284.03043	0.1
299.01996	0.2
300.02750	3.0
300.06165	0.2
301.03513	100.0
302.03867	7.3
315.05099	9.9
315.08929	0.1
316.05530	0.8
401.24481	0.2
421.60718	0.1
445.07852	0.4
505.96310	0.1
506.34033	0.2
507.35037	0.3
519.11243	0.3
547.10864	0.4
668.39600	1.5
669.14691	8.8
669.40411	3.9
670.14948	1.8
682.57495	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	669.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.6
63.04054	1.0
71.01248	5.8
85.02803	3.4
89.02305	3.0
89.68325	1.0
95.19156	1.1
98.19815	4.2
101.02319	3.0
101.47946	1.2
106.06510	1.7
113.02330	1.8
122.05977	2.6
124.07555	3.6
132.04443	35.6
133.05249	15.4
134.06082	5.5
136.03867	1.3
148.03917	1.7
150.05470	4.1
153.02986	0.9
160.03845	1.4
165.04211	22.0
166.04510	1.3
174.05472	1.5
176.03432	4.5
176.07098	1.9
177.04239	3.7
178.04967	2.6
186.09158	5.3
187.08647	2.5
198.09119	5.4
209.03183	6.6
212.10712	1.7
213.06570	4.4
214.12265	4.9
215.11861	6.4
218.04555	1.3
226.07422	3.3
227.08231	2.0
229.09755	14.2
238.08705	2.0
240.10184	4.9
241.09773	18.2
242.10052	1.7
255.11272	3.8
257.12936	34.7
258.13104	2.5
265.09790	2.3
268.08423	1.3
273.08868	6.4
283.10870	39.4
284.11279	3.2
285.08533	1.7
297.42065	1.3
301.11938	20.4
302.12216	1.8
309.08765	4.3
327.09808	25.8
328.10233	2.5
335.41632	1.1
343.12869	1.7
345.10886	83.3
346.11389	6.8
369.10858	5.4
387.11789	3.2
408.65375	1.1
489.15161	48.0
490.15356	6.1
507.16168	100.0
508.16516	13.6
549.17126	3.0
564.77643	1.1
608.42010	1.4
609.19427	2.4
664.92755	1.4
669.21399	44.6
670.21759	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	664.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	17.1
59.74704	0.9
61.98692	2.3
62.97687	0.9
71.51077	1.2
74.27589	0.9
78.95777	11.4
80.11758	1.0
81.88387	0.9
85.06454	0.9
130.35056	0.9
152.99480	4.4
168.04218	3.0
199.13336	14.3
227.25362	0.9
242.07970	4.3
279.19666	11.4
280.20374	1.3
331.82489	1.0
347.25952	4.2
365.26938	100.0
366.27182	12.9
519.27081	1.7
547.73138	1.0
590.34631	57.5
591.34802	8.8
664.37799	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	665.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	25.1
61.53531	1.4
61.98690	2.7
67.28571	1.1
71.01250	8.3
71.49464	2.4
72.99150	1.1
79.95599	5.2
83.01265	2.4
85.02818	3.2
89.02316	2.5
93.67063	1.1
94.18784	1.0
95.01277	1.4
95.95123	2.0
96.95888	42.7
96.96519	2.1
99.04408	1.5
101.02319	4.2
101.11170	1.2
103.61251	1.2
109.02827	2.3
112.85941	1.4
113.02331	3.5
114.47810	1.0
116.92793	6.9
116.93489	1.6
117.92680	1.2
118.92629	1.2
121.02863	5.2
123.00735	2.7
123.04359	1.4
125.02246	2.0
135.04434	2.3
136.01559	53.6
137.02388	8.0
139.00282	1.5
139.03831	1.4
147.04353	2.3
148.04024	2.5
148.05109	1.7
149.02315	1.8
149.06013	1.2
150.03192	1.1
150.05524	1.6
151.00294	13.5
151.03915	66.1
152.04330	2.5
159.04434	2.0
160.01558	1.9
160.05161	3.1
161.02354	2.4
162.03084	1.8
163.03928	1.5
165.01762	1.6
166.02629	48.1
166.04033	2.5
167.03316	4.3
173.02336	1.6
174.03137	2.1
175.03947	9.9
176.04558	1.2
177.01884	2.8
181.04984	49.0
182.05289	2.9
189.05524	3.8
190.02510	1.6
190.06274	3.3
191.03456	6.1
193.04944	1.9
194.04582	2.4
203.03398	1.3
203.07100	1.6
205.04958	3.6
205.08633	1.9
206.05771	4.5
217.04962	1.4
219.06509	1.6
221.08151	5.7
271.93121	1.3
283.00806	1.2
287.67291	1.2
329.10208	2.5
342.11124	2.5
354.10889	1.7
357.09729	15.1
357.13559	7.1
358.09869	1.6
369.13431	12.0
370.09027	1.8
372.12204	9.1
373.12491	1.9
387.14481	100.0
388.14856	13.2
461.18384	1.8
468.10831	2.3
468.17731	1.3
485.23663	3.1
561.29285	1.6
575.21429	6.5
579.30115	1.7
587.21808	7.4
593.22479	3.3
605.22430	30.1
606.23322	6.2
623.23352	19.3
624.23804	3.7
665.17932	14.5
666.19629	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	661.3961
Annotation	Unnarmicin C
Peak:m/z	Relative Intensity
52.55402	0.7
57.03326	3.6
58.76465	0.8
59.01245	14.7
71.01250	15.6
71.45983	1.5
72.08438	0.7
73.02802	4.4
78.95773	43.4
83.01250	3.5
85.02822	7.8
87.00751	1.6
89.02293	3.0
95.01247	1.4
96.96832	3.8
99.00741	2.0
101.02313	10.5
113.02344	5.5
119.03352	1.3
123.08053	4.6
152.99481	24.2
161.04463	1.2
171.00581	0.9
177.12746	5.2
195.13766	2.8
201.11217	5.9
201.14949	0.9
209.11786	9.5
221.11723	3.7
227.12790	1.3
277.21707	39.1
278.22012	3.0
279.23279	26.1
280.23566	2.8
291.23154	1.1
363.12109	2.1
365.41937	0.8
381.13214	3.0
401.18164	3.0
404.94241	0.7
415.22452	6.6
416.23221	1.2
433.23676	3.3
602.65375	0.8
617.34369	1.1
643.36212	11.8
644.36584	2.4
661.39355	100.0
662.39728	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	664.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85500	0.8
70.02747	3.1
93.03299	1.1
98.20455	1.0
117.03340	3.5
145.02852	31.3
147.04333	0.9
148.03935	9.7
149.04781	4.3
150.05513	33.6
151.05876	1.4
174.05519	1.0
194.04515	34.8
195.04872	1.9
202.05019	1.7
252.10124	1.5
291.20053	0.9
296.09268	18.8
297.09506	2.0
340.08243	23.3
341.08539	3.1
374.47659	0.9
401.76019	0.8
440.66620	0.9
465.49567	0.9
476.58481	0.8
518.15131	100.0
519.15399	12.2
611.55963	0.8
664.07233	1.6
664.18732	30.7
665.19000	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	661.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22659	0.9
59.01240	4.4
61.98713	1.6
68.63380	1.0
69.17835	9.1
69.18251	2.4
71.01249	1.7
80.04922	3.2
82.02835	2.2
94.02860	29.3
96.04415	1.8
96.95856	5.0
108.04459	2.3
108.08102	7.1
113.02277	1.1
117.55186	1.0
120.08078	23.5
121.05217	3.5
122.06013	1.5
123.35015	0.9
128.03435	1.0
132.04402	2.2
134.06007	2.1
136.07581	100.0
137.07890	3.5
138.05499	12.3
148.03935	1.5
152.07071	2.6
153.04201	1.5
157.69850	1.0
158.02324	1.0
160.04001	1.9
161.04646	1.7
174.05582	1.0
190.05043	4.5
191.05545	1.2
197.11763	3.7
209.11761	2.2
210.07921	1.1
219.12927	1.1
221.10735	1.2
223.08743	8.9
224.09474	2.3
225.10245	1.2
229.13303	2.5
233.10818	1.1
236.09471	1.6
237.10289	5.8
238.11142	4.6
239.11864	5.2
249.06657	1.4
249.10326	2.3
251.08224	1.9
251.11967	4.2
253.13228	1.6
263.08234	4.6
264.08969	9.5
265.09677	3.0
265.13251	1.1
267.11285	1.0
271.10876	2.3
276.09091	1.8
277.09775	4.0
278.10556	4.3
279.11362	26.2
280.11902	4.9
281.12955	3.4
283.10760	1.4
291.11389	6.8
292.12009	2.7
297.12457	1.7
305.09286	1.6
307.10974	2.4
309.12469	1.2
310.12582	1.2
322.09399	1.5
323.10254	4.7
324.11127	2.3
339.13339	1.5
360.21033	1.2
370.15417	1.3
372.16916	2.2
383.97070	1.0
386.18756	7.7
387.19458	2.0
388.20273	1.5
398.14804	1.2
400.20663	2.3
401.20984	1.2
412.16379	1.3
427.18738	1.4
428.19702	10.6
429.19986	3.3
432.19141	4.5
433.19998	1.6
445.20087	2.0
446.20792	4.4
454.17264	1.8
455.18393	2.9
472.18726	16.2
473.19504	11.7
474.19952	2.2
504.21451	32.8
505.21765	6.7
525.24884	3.6
553.80298	1.1
567.26178	6.2
569.24060	7.6
570.24445	1.3
585.27332	7.4
586.27844	1.6
601.26410	4.3
602.27008	1.5
611.25073	18.6
612.25085	3.3
629.26129	81.4
630.26392	16.7
643.27307	5.6
644.27960	1.3
661.28589	18.6
662.28668	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	661.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92054	0.6
59.01250	5.5
61.57761	0.7
61.98695	2.9
64.97664	0.6
67.01765	0.9
69.14875	7.6
71.01270	3.4
73.02811	1.3
78.95769	1.6
85.02818	1.0
89.02322	1.9
96.11630	0.6
96.95877	1.8
101.02332	2.1
109.02871	1.1
113.02299	2.0
122.33278	0.6
122.60811	0.6
123.00760	0.9
123.04417	0.6
124.01633	0.9
127.05018	1.1
135.04424	1.3
136.01540	0.9
136.88638	0.6
137.02348	16.5
139.03850	1.1
145.02820	1.2
147.04427	1.1
151.00261	10.3
151.01384	1.0
151.03899	1.0
152.07066	1.3
152.99486	1.0
161.02303	1.2
163.03949	1.3
164.01051	0.8
165.01848	100.0
166.02629	23.5
167.03029	1.6
174.03041	0.9
175.03902	6.5
179.03401	14.3
180.04199	58.8
181.04980	65.7
182.05281	3.4
185.92380	0.7
189.05495	1.2
190.04826	0.7
190.06325	5.3
191.05481	0.8
192.04124	0.8
193.04997	1.9
193.49638	0.7
194.05797	2.2
195.02869	2.7
195.06554	67.9
196.06949	4.3
205.08629	8.6
208.07376	1.3
210.05272	13.5
211.05624	1.5
223.09702	4.9
225.07645	65.5
226.07916	4.0
297.04050	2.0
312.06454	2.5
319.12775	0.7
327.08734	4.3
342.11075	5.7
355.13095	0.8
357.13376	11.0
358.13611	1.2
359.11469	0.8
375.14368	3.4
405.15536	7.3
417.15567	1.9
435.16348	0.7
467.88361	0.8
583.21722	1.1
661.26184	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	661.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48395	0.5
59.01227	1.9
61.98707	2.5
67.01736	1.0
69.63785	0.4
70.46277	0.5
71.01250	0.8
71.49727	0.5
78.81804	0.5
80.91573	0.7
83.01247	0.8
89.02274	0.8
95.29604	0.6
96.37003	0.6
96.95868	0.9
99.86927	0.5
101.02311	1.0
107.01266	0.8
109.02823	1.5
111.00761	0.6
116.01069	0.6
119.04909	1.8
123.00753	1.8
124.01548	1.1
131.04980	0.6
135.04395	1.3
136.01570	1.2
137.02344	20.1
138.02942	0.6
139.00229	0.5
139.03831	1.0
141.43123	0.5
145.02824	1.9
147.04434	3.6
149.02228	0.6
150.03053	0.7
151.00273	18.9
151.03906	1.7
152.01038	0.9
153.01884	0.7
160.01570	0.6
160.94910	0.6
161.02330	0.8
163.03886	2.6
164.01006	1.8
164.04694	0.7
165.01842	100.0
166.02628	37.8
167.03079	2.4
173.02357	1.7
174.03079	2.5
175.03926	18.6
176.04532	1.5
177.01830	0.7
177.05486	0.8
178.06248	0.9
179.03427	18.2
180.04201	59.9
181.04977	91.2
182.05319	4.8
188.04700	1.9
189.05446	4.2
190.06282	19.1
191.06927	2.2
192.04143	1.1
193.04962	6.4
194.05780	4.5
195.02879	3.2
195.06552	67.0
196.06898	3.9
203.07071	1.8
205.08630	19.2
206.08981	1.6
207.06552	2.0
208.07336	4.9
209.07932	1.0
210.05290	12.3
211.05620	0.6
223.09712	10.0
224.10075	1.0
225.07634	50.9
226.05968	0.6
226.07947	2.6
253.05219	0.6
269.04587	0.6
271.06100	2.1
280.03772	0.5
281.04770	0.8
283.06027	0.8
293.04379	1.7
297.03967	3.6
298.04709	0.8
312.06522	4.2
313.07028	0.6
327.08710	7.0
328.09213	0.9
329.06631	0.9
331.08282	0.6
342.11005	10.7
343.11707	1.6
344.30371	0.5
345.09775	2.6
357.13446	16.0
358.13910	1.6
359.11353	6.1
375.14435	5.1
376.14883	0.6
405.15509	16.8
406.16022	2.0
407.13519	2.2
417.15430	3.2
435.16641	2.2
518.15790	0.7
579.17236	2.2
583.21790	20.9
584.22131	4.9
601.15826	1.1
613.23102	1.2
631.24078	1.6
661.25006	5.8
662.25659	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	659.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	7.0
61.98692	3.5
69.03340	1.6
70.13849	4.1
71.01243	3.1
71.21836	1.1
73.02802	1.2
78.95772	1.9
79.95566	1.2
80.04929	5.9
94.06494	1.8
96.95875	4.9
101.02305	1.8
103.16683	0.9
104.04950	2.6
106.06515	3.6
107.03639	3.4
108.02068	1.4
108.04426	4.0
108.08025	1.1
109.02828	4.3
119.03337	1.0
120.08104	1.2
122.06013	30.0
123.06291	1.5
130.06500	1.2
132.04433	1.6
134.06027	10.5
135.04446	0.9
136.07579	4.0
137.02318	1.1
137.20392	1.0
139.02660	1.7
145.06143	1.0
146.05959	2.6
148.03922	3.9
150.05461	4.9
151.05684	1.0
152.07079	53.2
153.07365	2.4
159.04491	2.4
160.03912	3.5
162.05548	1.5
165.01837	1.3
173.04645	1.1
173.06004	1.5
174.05521	2.9
176.03506	1.0
180.06578	8.5
188.07100	18.6
201.11279	1.6
202.04991	1.2
209.11794	1.2
210.07890	1.9
211.08691	2.9
213.10237	1.6
214.05089	6.2
216.06818	1.6
223.08801	2.1
225.10251	5.7
226.10706	1.0
227.11809	4.9
237.10263	2.1
238.07295	1.4
239.07159	1.0
239.11792	3.3
245.12912	4.3
248.09492	1.2
249.10278	1.1
251.08194	1.3
251.11914	3.6
252.08928	3.2
253.09784	9.4
264.09024	1.7
265.09686	4.6
266.05774	2.9
267.06528	5.7
267.11319	6.6
268.07462	3.1
277.09775	3.9
278.10532	1.4
279.07697	4.5
279.11383	3.0
281.08182	4.7
282.08942	4.2
283.09750	6.3
284.04016	1.0
285.12506	1.6
292.08527	1.8
293.09305	4.3
294.10022	4.1
295.10870	44.0
296.11145	2.8
297.11411	2.1
307.10870	15.1
308.11380	1.8
309.12280	1.7
313.11832	2.4
322.07199	3.2
322.10684	2.2
323.10403	3.0
325.12024	1.6
336.08673	2.0
336.12323	5.5
339.09802	2.7
348.49954	1.1
372.17627	1.1
390.18256	1.3
392.19641	1.7
400.16623	1.8
418.17535	2.1
429.12164	1.9
430.12979	1.5
432.19400	5.0
443.13434	1.8
444.14606	8.6
445.15189	5.6
446.17188	1.0
458.16397	1.9
459.16193	1.2
460.18570	51.8
461.19061	7.2
476.18167	2.9
477.18430	1.1
504.17752	100.0
505.18015	18.8
523.23248	1.1
536.20392	59.0
537.20367	10.1
565.24335	2.3
567.22382	1.3
609.23706	5.0
615.26398	1.1
623.23932	47.1
624.14728	1.6
624.24280	14.1
627.24500	4.1
628.24329	1.1
641.25769	1.7
659.27295	3.6
660.35962	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	659.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04895	1.1
58.00462	1.0
59.01003	1.2
59.01247	15.8
60.71519	1.0
71.01257	6.0
71.50060	1.6
73.02806	4.1
78.95769	12.1
83.04874	3.6
89.02330	1.4
93.07009	2.7
96.96837	1.3
101.02319	2.8
119.04900	2.3
127.20612	1.0
133.10121	5.3
136.53601	1.1
140.38875	1.4
144.05672	1.5
145.06462	9.8
152.99489	6.3
157.10146	1.9
159.08069	7.2
160.08844	52.2
161.09163	2.2
173.09628	8.7
175.11197	84.4
176.11533	4.5
219.10213	100.0
220.10532	5.3
225.11255	2.1
273.22220	2.1
277.21713	15.3
278.22211	2.2
279.23297	3.9
280.23737	1.1
291.23245	14.0
294.59106	1.4
319.22638	2.8
379.11499	2.5
641.34430	1.9
659.37805	27.8
660.38770	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	659.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.2
61.98686	1.6
66.72137	0.6
68.75087	0.6
69.03329	0.7
69.44554	2.4
69.44979	2.2
71.01248	2.4
73.02805	0.7
80.04932	7.2
87.00745	0.8
89.02297	1.3
94.06497	2.2
96.95898	2.8
98.95443	0.7
101.02315	1.4
101.31993	0.5
102.05487	1.2
104.04941	3.6
106.06511	3.4
107.03644	3.8
108.04427	4.0
108.08076	0.7
109.06446	0.8
111.08025	0.7
113.02270	0.9
118.06469	0.6
121.05249	0.9
122.06009	27.8
124.07543	0.7
128.03468	2.8
130.06537	1.3
132.04436	1.3
134.06027	10.8
136.07576	3.0
139.02658	0.6
146.06012	2.1
148.03949	3.0
148.07567	1.0
150.05528	1.1
152.07079	51.7
153.07430	2.2
160.03934	2.7
160.07631	0.7
162.05493	1.1
173.04773	0.6
174.05524	2.6
180.06564	6.7
182.44528	0.7
185.00862	0.7
186.05525	0.7
188.07088	17.9
189.07408	1.0
201.11313	0.9
210.07913	1.6
211.08684	3.5
213.10303	1.5
223.08685	0.7
223.12372	1.1
224.09502	1.7
224.12921	0.6
225.10202	5.8
226.11037	1.5
227.11841	5.4
228.12149	0.8
235.08601	1.2
237.10309	2.7
238.07423	1.9
239.08047	1.2
239.11789	1.9
244.90895	0.6
245.12930	6.0
246.13101	0.7
248.09697	0.8
249.06746	1.0
249.10245	2.0
250.07370	1.1
251.08211	2.1
251.11961	2.2
252.08994	2.5
253.09796	12.8
254.10330	1.7
263.08267	1.0
264.08939	1.3
265.09760	4.5
266.10471	1.4
267.11411	4.9
268.11902	0.8
277.09879	3.3
278.10434	1.7
279.07727	3.8
279.11328	2.2
280.08643	1.4
285.12372	1.3
292.08618	1.2
293.09290	3.8
293.12210	0.6
294.10056	4.5
295.10861	38.3
296.11218	5.0
303.13501	2.2
307.10870	14.8
308.11304	1.9
313.11929	2.3
321.08749	1.0
323.10376	4.5
325.11938	1.0
339.09778	3.4
339.13416	0.8
351.09796	1.2
372.13123	0.7
376.16678	1.4
390.18219	0.9
392.19739	2.3
416.15686	0.7
418.17792	1.5
432.19678	3.4
440.16061	1.1
442.17773	1.0
458.17380	1.0
460.18796	42.2
461.18976	5.5
463.17801	1.0
476.18588	2.9
497.27478	1.8
504.17764	100.0
505.18091	17.7
536.20361	56.5
537.20660	10.6
565.25092	0.8
583.25519	2.0
609.23633	1.3
615.30548	1.0
627.24573	3.3
628.24493	1.1
659.34290	7.7
660.34314	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	659.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57518	1.0
59.01254	9.3
69.31998	3.3
69.32418	8.1
70.68822	1.2
80.04919	14.0
94.02863	2.4
94.06487	1.3
98.20580	2.5
101.02287	1.1
104.04945	3.2
106.06502	2.9
108.04427	2.6
108.08052	5.0
120.08087	3.2
121.05195	3.6
122.06044	9.7
123.03160	1.9
124.03924	3.6
130.90544	1.2
132.04428	2.0
134.06033	2.1
135.03076	1.9
136.03935	5.4
136.07581	74.5
137.07933	2.8
138.05489	5.5
143.74852	1.2
147.05528	4.1
148.03925	2.9
150.05511	9.3
152.07066	3.9
160.03922	2.7
161.03389	1.4
161.04695	1.6
162.05547	1.9
168.06557	2.7
174.05531	2.8
175.05042	3.4
190.04962	2.8
201.10242	14.4
211.08670	2.0
213.10228	6.9
223.08743	1.6
227.11919	6.7
229.09813	21.9
229.13356	17.1
237.10260	3.0
239.11880	8.6
241.09851	2.7
245.12663	1.2
247.10942	2.4
255.11421	7.3
257.12906	5.4
263.08276	1.4
273.12482	6.0
279.11407	2.4
280.12189	1.3
281.12732	2.4
289.11899	5.3
291.11240	1.5
295.10672	1.3
297.12390	6.8
301.11896	20.4
302.12271	1.8
307.10773	4.8
307.13974	1.3
309.12369	5.0
319.12985	89.8
320.13281	8.2
327.13412	4.7
330.12540	2.4
339.13516	3.8
344.10245	2.5
358.11835	1.7
359.12543	1.9
360.13486	2.8
372.17307	1.9
374.14990	10.8
386.15262	2.0
388.12729	1.3
391.15460	3.3
392.16025	12.7
400.12570	1.8
401.13190	1.9
416.15933	5.5
418.13959	2.1
433.15680	1.5
434.17151	6.4
460.17719	2.9
504.17120	1.6
515.26099	3.1
523.23334	2.7
541.24493	23.5
542.24829	5.5
559.25623	2.7
565.24658	8.9
566.24481	1.7
583.25592	73.1
584.25726	15.9
585.23749	2.0
586.23956	4.8
609.23364	4.0
623.24042	2.6
627.24554	100.0
628.24866	22.2
659.16583	1.9
659.27222	25.2
659.38123	1.6
660.27344	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	658.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85730	0.5
57.03318	5.4
57.57845	0.5
59.01238	1.1
69.34843	1.5
69.35267	3.1
71.01226	0.6
71.12543	0.4
72.99184	0.6
78.95772	15.5
78.96225	1.0
94.52249	0.5
96.95810	0.5
99.00733	0.9
101.03346	0.5
111.00793	2.6
112.01546	22.4
113.02331	2.1
121.99963	0.5
126.56107	0.5
140.01080	4.5
152.99509	1.9
187.07521	1.0
196.03758	2.2
214.04781	6.4
258.12527	0.8
276.13791	0.5
287.46216	0.6
305.21146	2.7
328.17111	0.6
328.21130	0.5
331.26450	2.6
343.26379	1.0
344.19513	0.7
347.25845	6.3
348.26157	1.1
349.27444	100.0
350.27802	14.3
357.27927	0.8
365.06958	0.5
371.29898	0.7
372.19043	0.6
373.27139	0.7
383.26080	1.1
387.29453	0.7
397.27551	3.2
399.28967	0.7
401.26572	0.7
415.28699	1.1
425.27118	1.7
443.27979	16.1
444.28177	2.4
461.29077	22.3
461.35663	1.2
462.29520	3.3
545.31464	0.7
546.31989	49.8
547.32104	7.7
658.33600	27.6
659.33929	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	658.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91694	1.2
54.97453	1.0
57.03329	8.7
58.29175	1.3
61.98710	2.8
71.01241	1.9
71.49142	1.5
71.49561	1.3
78.95770	10.9
107.79169	1.1
111.00758	2.6
112.01540	16.2
113.02332	3.8
113.05955	1.4
118.81152	1.0
127.85876	1.2
140.01065	4.1
152.99448	2.3
196.03806	2.5
211.13313	1.7
214.04852	5.3
218.19521	1.2
227.10637	2.0
241.17984	1.2
273.76804	1.2
330.79868	1.2
331.26404	3.2
343.26483	1.4
347.25931	5.6
349.27454	100.0
350.27844	14.0
415.28595	2.3
443.27969	9.5
444.28452	2.5
461.29141	24.0
462.29199	3.6
538.00916	1.2
546.31952	46.7
547.32330	9.5
658.33588	22.8
659.33496	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	659.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.6
61.98719	0.7
65.99731	1.0
69.59763	1.3
69.60173	2.2
71.01247	0.9
80.04913	0.8
94.06484	3.2
96.95896	1.0
101.02354	0.7
104.04942	6.6
106.06519	1.1
107.03653	7.4
108.04449	0.5
120.04418	0.8
121.05228	0.5
122.06006	58.5
123.06352	1.7
124.07557	1.0
125.62382	0.5
132.04433	0.6
134.06001	5.0
136.07597	1.7
138.05479	0.6
139.02670	2.5
147.05580	0.6
148.03970	1.2
148.07587	0.9
150.05501	1.5
152.07079	88.6
153.07440	2.7
159.05530	3.9
160.03912	2.3
161.07130	1.0
164.03448	0.7
166.05038	0.9
171.10167	0.5
173.03416	0.7
175.05055	4.9
176.03424	1.2
180.06732	0.7
183.06865	0.7
187.05043	1.6
197.07076	0.9
201.02963	1.6
209.11993	0.6
211.13319	2.3
213.10188	0.6
214.12338	2.2
215.11786	0.7
221.08336	0.6
222.09036	0.6
223.08684	1.5
224.09410	0.8
225.10159	0.9
226.07423	1.3
227.05765	1.4
227.08090	0.9
227.12064	0.5
229.14366	1.2
235.12375	0.6
236.11192	0.6
237.10233	5.2
238.10922	1.0
239.08202	0.9
239.11824	1.6
240.06691	0.7
241.07384	1.7
247.29044	0.6
249.10429	0.8
251.11887	7.5
252.08955	1.1
252.12274	0.8
253.07500	0.8
253.09801	1.0
254.08087	0.6
256.09836	3.7
265.09897	0.7
267.11429	0.7
268.09811	1.5
269.12943	1.9
277.09628	1.0
278.10458	0.8
279.11356	1.1
283.10858	0.6
296.10986	0.6
309.12451	0.9
311.10611	1.0
311.13983	1.4
313.11893	2.2
324.13495	3.7
329.23300	8.7
338.11328	2.6
340.12973	7.1
341.13049	0.6
357.16052	1.5
366.10928	15.0
367.11438	2.1
368.12198	1.1
372.16989	0.7
374.18784	3.0
388.16348	0.7
391.15326	2.3
398.13626	1.8
400.15994	1.7
402.18268	1.8
404.20047	0.6
416.19946	4.2
421.17697	1.1
432.19141	1.6
434.20731	1.2
513.21313	1.2
515.26501	1.3
539.26563	9.6
540.26489	1.9
565.24347	1.1
566.23419	0.8
583.25677	8.4
584.25525	1.9
587.27661	0.7
597.26996	3.5
615.28229	49.7
616.28510	8.7
623.23779	1.2
627.24054	1.7
659.27167	100.0
660.27582	23.9
660.35986	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	657.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38662	2.0
57.44694	2.4
59.01248	16.0
61.98686	10.4
71.01250	5.8
71.49615	4.9
80.04890	2.9
83.04871	3.7
85.02804	2.6
91.37264	3.0
94.06502	16.2
96.95892	5.9
101.02316	4.6
104.04916	2.3
106.10817	2.3
108.04397	2.6
109.11626	2.2
109.77985	2.1
112.97081	2.3
120.08074	10.8
121.35706	2.4
122.06006	100.0
123.06329	2.9
132.04509	2.5
134.05971	2.5
150.05505	6.9
150.06766	20.8
150.52861	2.9
150.97574	2.5
151.39294	2.4
152.07115	4.2
161.04527	2.4
163.07562	3.7
171.10229	4.8
179.10725	6.7
190.04958	7.6
209.11780	41.1
211.13368	37.5
213.10324	6.4
223.08685	7.7
225.10240	2.7
227.12758	9.9
233.15244	2.7
237.10297	8.6
239.11835	8.4
241.13460	4.8
249.06619	4.7
249.14977	2.8
251.08241	4.1
251.11784	5.0
253.09337	5.5
262.82828	2.7
263.08368	4.8
263.12149	2.4
264.06134	3.1
264.09052	9.0
265.09814	11.0
267.11368	2.5
277.09836	5.1
279.11386	18.2
280.12091	5.2
285.12479	14.0
291.11331	4.8
292.12012	4.5
293.09564	4.3
293.12848	4.4
295.11035	3.7
301.11960	3.4
323.10443	4.4
358.15613	7.8
372.17163	8.4
386.14774	2.7
387.19476	4.3
398.14487	3.0
400.16815	6.4
413.17245	4.7
414.18124	3.3
415.19138	4.8
418.17560	4.1
431.18491	4.4
458.17267	4.8
459.17862	9.9
491.20544	3.8
494.35709	7.4
495.36945	29.5
503.16876	9.2
521.21741	5.7
534.18872	4.4
537.25085	5.9
553.24542	4.6
563.23120	11.3
565.20844	7.6
581.24237	24.7
582.24670	5.3
597.23340	4.5
607.22076	18.1
608.22034	3.1
613.41528	2.7
625.22968	47.1
626.23206	7.9
657.25293	55.8
657.35010	8.1
658.26031	13.3
658.36340	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	655.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23134	1.9
59.01252	100.0
59.48905	2.0
61.98696	4.3
63.18483	2.2
63.32067	1.9
71.01248	2.9
71.49956	2.3
78.95758	4.2
85.02839	2.3
97.00201	2.2
97.02862	2.5
99.98395	2.0
118.38891	2.0
131.06427	2.1
141.00491	3.6
141.01602	74.3
225.11111	2.1
255.23271	3.6
256.23526	3.4
275.06125	2.7
277.21680	2.8
383.74185	2.3
399.14172	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	655.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15451	1.9
56.79352	1.7
59.01250	100.0
60.37753	1.7
69.03320	2.4
71.51273	3.1
78.95782	6.1
79.32620	2.0
97.02812	4.7
141.01607	64.0
152.99506	7.3
202.47668	2.2
266.51801	1.9
275.06174	6.7
277.21753	4.6
284.42596	1.9
391.19778	2.2
424.40952	1.9
535.27643	8.1
595.29144	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	656.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46476	0.6
56.42686	0.7
59.01253	14.4
61.98704	100.0
67.32458	0.6
71.01245	4.2
71.49339	1.2
72.99172	1.0
83.21205	0.7
85.02835	1.1
87.00767	1.1
89.02324	3.5
96.95905	4.7
101.02331	2.7
111.01912	1.0
113.02364	1.6
119.03467	1.1
121.02869	0.8
136.01552	0.7
137.02292	0.8
148.03934	1.0
149.02374	1.7
161.02325	1.2
163.11270	1.5
164.04721	1.6
173.04520	1.3
175.00336	0.8
175.03990	1.2
176.01112	1.5
190.02664	3.6
191.03406	1.6
205.04964	4.6
207.10223	3.8
223.06094	1.3
274.71967	0.7
356.58752	0.7
369.15509	1.0
387.16599	42.6
388.17032	4.9
476.27036	0.9
487.16013	1.0
593.22284	10.2
594.22931	2.7
638.23083	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	657.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49786	0.3
59.00963	0.5
59.01247	4.5
60.61800	0.3
61.98694	1.1
67.01759	0.5
71.01269	0.4
74.38157	0.3
79.05408	0.4
85.02810	0.4
95.04868	0.7
96.95871	0.6
101.02299	0.5
101.83755	0.3
107.03661	0.8
108.04421	0.8
108.75454	0.3
120.04448	2.2
121.05231	1.7
122.06014	6.9
123.61214	0.3
128.03363	0.3
132.04404	0.5
134.06013	2.3
135.06790	1.6
136.03705	0.3
136.07576	11.4
137.07895	0.4
148.07550	0.6
149.05969	0.8
150.05626	0.4
150.06758	9.2
152.07077	3.2
158.02370	0.5
160.06294	0.4
161.07114	1.1
162.05505	0.8
163.07585	1.5
164.08310	1.0
171.11723	2.4
178.09898	0.6
179.10727	3.3
184.07611	0.5
186.09178	0.7
190.05046	2.8
198.09178	1.7
199.09950	1.8
209.11823	0.7
211.13321	1.0
212.05740	0.4
212.10910	0.4
214.07426	0.9
214.12315	11.3
215.12712	0.6
226.07346	0.6
227.08171	2.1
228.09032	0.8
229.09775	4.4
230.11859	4.2
241.09793	8.3
242.10562	15.7
243.10963	1.2
256.12036	0.8
257.12927	85.5
258.13269	5.9
300.11102	0.5
301.11923	100.0
302.12244	7.7
341.11224	0.5
355.12939	5.9
356.13309	0.9
480.34607	2.5
494.35715	0.9
495.36908	15.4
496.37112	1.2
553.20215	0.5
581.24304	0.5
625.23340	0.7
657.25055	0.9
657.34833	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	655.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53409	1.9
59.01256	11.6
61.98703	3.4
69.03304	3.1
70.49987	1.5
71.01244	7.9
71.49046	1.8
74.08991	1.6
75.02013	1.5
78.95735	2.0
83.01257	2.0
85.02802	2.3
87.00735	3.0
89.02295	2.7
93.03321	7.9
95.40454	1.6
96.95936	2.6
97.93692	1.5
99.00745	2.5
101.02316	4.0
103.18333	1.9
106.43862	1.5
107.04842	2.5
108.02068	15.3
109.02833	7.6
113.02331	2.1
116.92743	2.8
121.02841	22.1
123.04369	6.3
130.04059	1.6
133.05223	26.7
134.03604	2.2
134.05995	21.2
135.04466	7.9
149.02376	1.7
150.03131	2.0
152.01042	5.2
158.03687	8.5
159.04401	3.8
160.03937	26.1
161.02301	4.1
173.05968	6.9
174.59221	1.9
178.84201	1.8
206.99519	2.7
207.06702	2.4
213.04240	3.5
214.04990	3.7
227.02151	2.1
241.03700	4.1
242.04578	8.0
245.03261	4.0
261.64166	1.8
264.07980	1.9
265.04962	2.2
266.05978	2.4
267.06592	10.2
268.07416	3.9
270.03979	4.3
273.02728	10.4
276.07892	2.1
280.07465	2.1
281.08127	6.8
282.08997	8.7
283.06308	2.6
283.09644	8.4
295.09793	4.2
297.11368	4.1
317.06940	6.1
319.08435	3.8
320.09137	3.7
321.06287	1.9
334.10822	4.8
336.08511	2.5
345.06339	4.8
346.07190	6.7
347.23712	1.8
350.06671	2.7
360.08691	5.0
363.07611	2.7
364.08212	24.0
365.08746	6.6
378.09854	8.9
380.11301	2.8
381.04941	3.8
385.11523	2.2
397.08029	5.4
408.10886	8.8
415.15500	2.4
441.12329	1.9
442.12891	4.2
456.14694	3.1
458.09927	2.6
458.16086	32.5
459.16669	3.8
469.11661	4.6
476.16965	4.3
484.14120	23.0
485.14517	3.5
486.11938	16.2
487.12619	5.8
502.15060	100.0
503.15295	14.6
543.17590	3.6
561.18750	3.1
576.20154	5.0
594.21057	5.2
619.20880	18.4
620.21027	3.7
637.22021	16.4
638.22186	5.8
655.22174	8.3
656.23956	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	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01854	0.3
55.01755	1.4
55.02082	0.3
57.03321	0.9
58.00468	2.6
59.01252	43.5
65.11357	0.3
67.01766	0.5
68.99691	0.6
69.03321	2.5
71.01254	37.4
71.04913	0.3
71.37810	0.3
72.98809	0.5
72.99178	2.4
73.02819	7.2
75.00739	0.9
76.84393	0.3
81.03346	1.8
83.01257	4.4
83.04900	0.4
85.02822	7.5
85.03294	0.5
85.99987	0.3
87.00752	8.2
87.04381	0.3
89.02319	31.7
90.02694	0.5
91.03890	0.7
93.03341	0.3
95.01271	2.7
97.02829	6.7
97.03408	0.6
98.19765	0.6
99.00748	2.2
101.02322	29.7
102.02682	0.6
102.35734	0.3
103.00225	0.4
108.02742	0.3
109.02831	0.9
111.00819	0.5
111.04405	1.1
113.02332	13.4
115.03875	0.3
119.03392	10.2
121.02831	0.8
123.04367	0.4
124.01550	0.4
125.02340	13.3
126.02665	0.5
127.03929	0.6
131.03404	1.7
133.04942	1.4
139.03934	1.4
141.01857	0.8
143.03407	5.5
149.04446	0.8
161.04449	6.4
163.03905	0.4
167.03362	0.4
169.05046	0.4
171.02856	0.3
174.17877	0.3
179.05534	6.4
181.04842	0.4
185.04436	0.6
199.06035	0.6
203.05534	0.5
217.07201	1.2
219.04987	0.6
221.06615	2.1
229.54584	0.3
233.06517	0.3
235.08191	14.1
236.08458	0.5
237.22038	0.3
245.06685	1.3
253.09267	2.8
255.23265	100.0
256.23605	8.9
263.07632	1.3
269.24893	0.5
277.09250	1.1
287.07715	3.8
305.08807	4.4
323.09723	1.9
361.11526	0.6
376.03979	0.3
379.12573	1.3
384.77097	0.3
397.13477	82.2
398.13818	7.4
415.14554	30.9
416.14865	2.8
653.37549	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	655.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.1
59.01245	19.7
61.98708	15.3
69.53665	6.3
69.54076	6.8
71.01262	12.9
75.00756	2.9
83.01248	1.7
85.02799	2.0
89.02319	6.6
93.03344	13.5
94.06152	1.8
96.95930	4.8
99.04370	3.4
101.02318	7.2
108.02037	3.1
109.02810	2.3
113.02325	5.9
121.02856	12.2
125.02306	2.0
133.05222	36.1
134.06021	14.6
135.04401	8.5
160.03949	31.1
161.02359	3.5
161.04393	3.3
174.05585	3.0
175.03954	4.0
179.05586	2.5
189.07985	2.1
190.02530	2.3
205.04991	2.9
209.11827	3.1
221.05991	3.0
224.77550	2.1
237.05478	4.1
239.07133	6.4
249.05466	5.4
263.07043	6.1
265.05023	7.0
266.05740	4.6
267.06610	53.1
267.50214	1.8
268.07104	9.3
269.08102	2.4
277.04980	5.3
281.08157	6.2
282.08972	51.1
283.09674	14.0
293.04630	5.1
294.05252	11.0
295.05881	2.3
297.11319	92.7
298.11630	5.8
301.03427	5.3
306.07919	3.3
308.06912	8.3
309.07614	27.5
310.08163	4.7
323.09265	11.9
350.10556	4.8
382.12714	9.9
385.10791	13.7
387.16525	7.2
400.12924	15.7
415.15567	28.7
416.15515	3.2
426.10944	6.2
428.11481	11.2
441.13284	8.4
443.13611	15.7
458.16071	100.0
459.16437	15.8
475.27261	5.6
476.17117	30.4
477.17334	4.2
484.14175	33.2
485.14410	3.9
502.14984	22.9
503.14996	2.3
525.16986	2.8
531.18378	2.2
543.17737	7.5
561.18817	9.1
576.20477	13.8
594.21100	7.7
611.28998	5.5
619.21008	15.9
620.21674	3.2
637.21906	21.4
638.22241	7.6
655.23718	9.3
655.34192	8.6
656.23663	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	655.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.2
61.98681	1.8
66.34482	0.8
69.41365	6.9
71.01243	2.9
72.79110	0.9
73.02803	1.2
80.56319	0.9
84.00768	1.0
85.02795	0.9
88.98723	0.9
89.02301	2.6
93.03331	11.1
96.95858	1.2
101.02294	2.5
106.04129	1.2
107.04881	1.1
108.02064	9.0
109.02872	5.4
113.02327	1.1
119.03371	1.5
119.04897	6.1
120.04423	1.7
121.02831	9.4
122.03595	1.9
123.04417	3.0
131.03650	2.0
132.04405	1.4
133.02888	1.4
133.05232	27.0
134.03645	1.2
134.06079	7.1
135.04393	3.8
136.01552	4.1
136.05214	1.6
137.05980	17.1
138.03134	1.2
143.20956	1.0
148.01485	1.3
150.05482	1.0
151.03909	2.6
153.05447	1.6
159.03204	1.2
160.03944	26.0
161.02319	2.6
168.04227	1.0
188.03413	1.7
209.04491	100.0
210.04849	4.9
221.06003	1.4
237.05527	2.3
239.07118	6.8
241.05045	1.4
247.04585	0.9
248.04861	1.2
249.05470	2.7
250.06030	1.2
251.06898	1.0
263.07053	2.1
265.05011	3.5
266.05829	2.6
267.06595	20.2
268.07123	3.4
268.09784	0.9
277.05017	2.4
278.08139	1.3
280.07346	1.7
281.08008	2.4
282.08942	18.1
283.09686	5.9
283.12445	1.0
290.08069	2.4
293.04474	1.5
294.05289	2.6
297.11322	29.8
298.11737	2.0
306.07645	1.3
308.06747	1.4
309.07648	9.7
309.12454	1.2
310.07727	1.1
323.09167	4.0
350.10306	3.5
357.11209	1.2
368.10333	1.4
382.12680	3.8
385.10788	4.0
400.12018	19.5
401.12582	1.7
411.11047	1.7
415.15247	11.3
416.15683	1.7
426.13733	4.5
427.16916	1.7
428.11255	3.2
430.16580	32.0
431.17038	4.3
441.13339	3.2
443.13724	4.1
458.16080	41.1
459.16312	5.9
475.26898	3.1
476.17148	9.4
477.17056	1.4
484.14020	10.4
485.13873	1.9
502.15091	4.1
511.14929	5.4
512.15894	1.2
525.16089	1.2
543.17676	9.7
544.18152	2.1
561.18512	4.4
576.20215	5.9
587.18243	12.4
588.18701	3.1
594.21796	2.6
619.20819	34.6
620.21350	5.7
637.21899	9.3
638.22180	3.0
655.23126	4.7
655.39801	1.4
656.23462	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	653.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.2
57.03332	0.8
58.00457	1.6
59.01254	32.4
61.98717	0.6
69.03320	2.3
71.01256	34.0
71.50296	0.5
71.50658	0.6
72.01598	0.7
72.99194	3.3
73.02814	5.4
75.00743	1.2
77.65271	0.5
78.95786	0.7
81.03319	1.5
83.01258	3.3
85.02818	6.2
85.99971	0.6
87.00754	8.4
89.02322	29.9
90.02631	0.5
91.03909	0.9
95.01260	1.9
97.02841	5.7
99.00745	2.0
101.02325	28.1
109.02811	0.8
111.04422	1.3
113.02334	14.5
115.03861	0.6
119.02573	1.0
119.03384	9.9
121.02843	0.7
125.02341	14.5
131.03406	2.0
133.01295	0.6
133.04918	0.5
139.03873	1.3
143.03413	5.3
161.04462	6.0
169.04921	0.6
179.05533	6.5
184.29805	0.5
185.04512	0.7
217.07140	1.4
221.06619	2.4
226.02106	0.5
235.08200	14.9
236.08765	0.7
245.06682	1.1
247.98296	0.5
253.09294	2.9
255.23274	100.0
256.23651	8.1
263.07681	1.4
277.09375	1.0
287.07770	3.8
302.59521	0.6
305.08722	4.7
310.27872	0.5
323.09818	1.5
345.52490	0.5
361.11136	0.6
379.12402	0.9
397.13492	85.5
398.13821	8.0
415.14584	34.3
416.15005	2.9
438.52637	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	647.38
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	65.4
61.98689	2.3
71.01250	11.8
73.02814	2.8
78.95769	2.6
79.24942	1.4
85.02811	2.4
87.00732	2.5
89.02292	3.9
101.02309	5.4
113.02330	2.1
119.03347	2.5
150.30443	1.5
163.11212	7.3
207.10210	13.1
232.06871	1.4
250.75998	1.5
255.23262	2.2
277.21716	28.9
281.63208	1.8
291.23267	5.3
319.22653	2.0
368.77524	1.7
369.15424	6.0
387.16562	14.5
417.35028	1.5
435.39706	1.3
571.37268	1.7
647.37970	100.0
648.38300	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.9849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05159	0.6
57.03313	3.2
67.01759	1.2
69.23286	0.5
70.10770	2.6
77.21477	0.5
77.31585	0.5
85.02821	16.3
87.00749	26.7
111.00764	84.9
112.01105	2.6
123.51480	0.7
128.44197	0.5
129.01842	5.0
130.99742	0.7
133.01329	1.2
173.00824	4.3
191.01897	100.0
192.02246	3.2
194.00806	0.7
211.25426	0.5
458.95853	18.9
459.95850	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	651.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72128	0.4
55.01754	0.8
55.43983	0.4
57.03319	1.2
58.00467	1.4
59.01250	33.5
61.98658	0.4
69.03314	2.2
71.01253	32.2
71.49525	0.4
72.01579	0.4
72.99171	2.2
73.02818	5.5
78.95769	2.9
79.93744	0.4
81.03331	1.5
83.01248	4.2
85.02821	6.9
85.99974	0.5
87.00744	7.7
89.02317	26.4
91.03891	0.5
95.01271	2.1
97.02829	5.5
99.00779	2.0
101.02322	27.6
102.02699	0.7
102.13034	0.4
103.03869	0.4
104.84669	0.4
106.16171	0.5
108.02128	0.4
109.02847	0.8
111.00784	0.6
111.04385	1.1
113.02333	12.4
115.03832	0.7
119.03386	9.1
120.03741	0.5
121.02836	1.3
125.02332	12.4
131.03407	1.6
133.04999	1.3
139.03885	1.0
141.01831	0.9
143.03395	5.7
144.03731	0.5
149.04462	0.6
151.03838	0.7
152.99484	3.3
157.04913	0.5
161.04460	6.3
163.03847	0.5
169.04854	0.6
174.17374	0.4
179.05548	5.3
185.04538	0.6
199.06076	0.8
217.07088	0.7
219.05124	0.4
221.06596	2.2
235.08197	13.5
241.01180	0.8
245.06580	0.9
253.09332	2.9
253.21707	100.0
254.22050	8.3
263.07764	1.5
267.23380	0.4
277.09286	0.9
277.21671	1.9
287.07617	3.5
305.08630	3.1
323.09909	1.7
379.12479	1.1
397.13483	73.2
398.13794	6.8
415.14557	28.9
416.14694	2.9
424.27917	0.5
593.27216	3.7
594.27753	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	652.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02830	2.0
59.01245	5.4
60.99171	0.9
61.98689	2.4
66.03340	0.9
67.15170	0.7
69.36250	6.0
70.02841	2.0
71.01254	2.0
72.00773	3.3
73.03931	1.6
82.02858	4.9
82.47140	0.7
84.04418	1.2
88.98672	3.4
89.02345	1.1
91.05397	1.7
94.02929	0.7
96.04405	0.9
96.95902	1.5
98.19756	1.6
99.05516	2.0
101.02341	1.2
101.07068	1.9
109.03944	4.6
110.02344	1.5
110.10522	0.9
111.01871	1.6
115.08664	9.8
116.07066	1.4
122.06036	0.8
124.03928	4.6
125.07107	2.2
126.05471	1.2
127.05026	40.6
127.08625	1.6
128.03423	16.5
129.03781	0.9
135.04391	2.5
137.07103	6.1
139.03886	0.9
139.04951	1.0
139.08646	1.2
140.07118	1.0
141.06593	8.8
145.06099	1.7
147.04385	9.3
149.07108	1.9
150.05539	1.4
152.07161	1.1
154.09746	4.7
155.08150	3.3
161.02313	1.7
164.07083	24.0
165.07446	1.5
166.06102	6.0
167.04497	3.5
167.08189	4.2
172.04254	4.2
172.10802	10.0
184.07208	5.6
184.10872	1.4
185.05573	1.2
189.06953	3.5
190.05328	2.0
196.10789	1.1
202.07393	2.0
214.08513	1.0
219.14961	6.6
222.12398	3.4
229.10037	1.0
231.11302	2.4
240.07964	1.2
241.06464	6.9
245.12819	3.0
258.09174	3.1
263.13934	3.7
265.13022	7.6
266.11142	1.2
276.17197	1.7
283.14059	1.1
288.13617	1.2
300.10291	1.2
314.10120	1.7
315.11325	1.2
318.11243	9.8
320.16080	1.1
325.99771	1.1
332.16245	1.7
350.17169	4.7
374.17172	1.2
387.20331	3.0
392.18301	1.1
431.19360	8.9
432.19464	1.1
443.19296	3.5
461.20419	16.3
487.18570	3.5
491.86700	0.9
505.21249	2.3
604.24353	3.5
622.25397	9.6
623.25891	1.6
634.25629	13.6
635.26178	1.3
652.26532	100.0
653.26709	18.2
653.36823	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	653.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	16.1
61.98692	17.3
71.01243	9.5
71.50105	3.7
72.52585	3.0
78.95766	5.5
85.02817	3.8
87.00765	4.2
88.98675	14.3
91.97972	2.8
96.95856	5.0
101.02338	3.7
108.02056	33.0
109.02842	6.0
109.50558	2.9
111.00769	6.5
121.02850	12.7
122.03609	9.0
123.04467	14.9
124.01511	4.6
128.03400	7.0
134.03647	53.7
135.04385	11.5
137.02310	7.2
139.03870	4.5
148.04025	3.6
149.05965	30.8
154.02676	4.4
171.10196	3.6
177.04315	4.2
178.05006	4.3
192.06519	3.8
207.10339	4.4
209.11743	6.0
210.74458	2.9
225.11328	6.1
237.05399	3.8
239.07027	6.1
251.07091	7.0
252.07881	5.3
263.07083	8.5
264.07791	10.4
265.05087	4.8
267.06650	37.7
268.07227	5.2
278.78448	3.3
279.06512	4.3
280.07367	4.7
281.08170	12.6
282.09076	29.8
283.09586	11.5
294.07971	3.9
296.10477	14.6
297.11316	55.2
298.11142	9.8
309.11932	3.8
310.07199	4.8
334.84158	3.9
338.10175	4.0
340.11832	6.6
402.13318	11.3
428.14957	9.1
432.13889	11.7
432.18167	18.1
443.13586	4.6
444.14441	3.3
458.15976	9.1
460.18427	46.8
461.18500	4.4
462.19284	24.6
471.15674	6.2
472.48862	3.8
475.16174	11.2
490.18677	58.7
491.19162	9.9
501.16797	7.4
519.15051	4.9
621.22516	28.5
622.22998	6.3
653.24701	100.0
653.41559	4.7
654.25574	19.8
659.16040	3.2
666.00073	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	645.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24768	0.3
59.01245	0.9
59.68936	0.3
70.36267	0.8
70.36658	0.4
70.41013	0.3
76.70496	0.3
79.30637	0.3
81.03332	0.5
83.04897	1.2
88.33390	0.3
89.02317	0.3
89.03843	3.8
90.70900	0.3
93.03300	0.5
95.04922	0.3
96.95871	0.6
97.55777	0.3
101.02362	0.4
105.10144	0.3
106.04118	0.6
107.04917	0.4
113.02306	0.3
117.03352	9.6
117.04189	0.6
118.03694	0.5
121.02850	0.4
123.04416	0.4
134.03630	94.3
135.04247	3.7
137.02333	4.6
137.48604	0.3
145.02849	0.4
147.04370	0.7
149.02412	0.3
149.05977	6.9
161.02388	0.7
178.02620	1.2
193.04987	100.0
194.05334	4.8
225.16092	0.6
285.04123	1.1
306.07510	0.4
328.11722	1.9
345.14581	0.4
371.12384	1.2
448.13998	0.4
451.32892	16.6
452.33307	2.2
507.17627	4.4
508.18045	0.9
627.19983	0.7
645.21881	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	647.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.8
61.98703	2.5
67.01745	1.7
71.01257	3.4
71.49339	1.8
89.02296	2.0
96.95917	2.0
101.02275	1.3
107.28175	1.2
109.02835	1.6
123.04404	1.7
135.04393	2.3
137.02338	15.7
145.02814	1.2
148.03934	3.3
149.02263	1.1
151.03873	1.1
151.90657	1.3
160.01488	1.7
161.02321	2.4
163.03903	1.2
164.01074	2.5
164.04787	1.6
165.01849	100.0
166.02194	6.1
175.03914	2.9
179.03415	15.4
180.04205	58.5
181.04797	3.3
193.04976	3.8
194.05721	2.8
195.02904	3.4
195.06566	63.7
196.06868	2.4
205.04991	1.3
209.08060	1.3
210.05260	12.7
220.58134	1.3
225.07642	51.7
226.08138	1.5
235.03918	1.3
241.05051	1.3
253.05049	1.3
254.05731	2.2
255.02942	1.9
267.06390	1.2
269.08206	1.6
270.05252	4.0
283.06168	1.6
285.07776	2.5
294.05206	2.5
295.06070	1.9
297.07639	1.7
298.04745	3.1
308.06860	1.6
309.07541	4.1
310.04700	2.4
310.08389	2.0
311.09171	1.8
313.07202	10.4
324.09979	1.6
325.07147	12.4
325.10547	2.0
327.08701	2.4
328.09546	15.4
329.09866	2.3
340.09552	10.5
341.10095	2.1
342.10861	1.2
343.11816	21.2
355.08240	1.4
355.11893	15.0
356.11981	2.3
373.12924	1.8
391.13983	31.1
392.14264	3.3
403.13956	39.4
404.14197	3.9
450.52530	1.4
477.15335	1.4
486.19391	1.6
491.13452	2.9
498.08191	1.2
506.15839	12.5
507.15674	1.6
521.18121	41.9
522.18756	6.1
551.19269	3.2
569.20215	6.9
570.20691	2.1
581.19879	1.3
599.21387	12.2
600.21722	1.9
612.55530	1.5
647.23706	8.3
647.32831	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	645.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44396	0.6
55.01743	1.8
55.97997	0.6
57.03093	0.6
57.03320	5.4
57.24171	0.6
59.01252	31.5
61.98697	0.6
68.99669	0.8
69.03323	0.7
71.01250	25.2
71.49897	0.9
72.99181	5.0
73.02827	4.5
75.00745	28.3
78.95773	0.7
83.01259	2.7
85.02822	32.1
86.03106	0.6
87.00745	8.0
89.02309	2.6
95.01257	4.1
96.95876	0.9
97.02827	1.1
99.00761	10.6
99.04391	0.7
101.02299	4.3
103.00166	0.8
107.22948	0.6
111.00736	1.1
112.01517	0.7
113.02329	32.4
114.02676	0.6
115.00243	2.4
117.01817	1.8
127.03854	0.7
129.01799	1.5
130.08568	0.7
157.01410	0.7
161.04433	1.7
167.71840	0.6
173.04497	0.7
175.02362	4.1
322.19604	0.8
377.07147	3.0
383.24176	0.7
497.27625	1.9
601.28619	100.0
602.28894	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	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32269	1.2
59.01241	9.8
61.98691	1.3
71.01247	2.9
71.50137	1.7
76.85283	1.6
89.02280	1.4
94.06487	4.6
96.95869	3.1
101.02295	2.7
106.06496	3.1
107.03622	9.2
110.87672	1.2
113.02288	2.0
120.08085	11.1
122.06007	85.0
124.07564	1.7
132.04462	2.9
133.06462	1.5
134.06003	6.1
138.03072	1.5
139.02629	2.2
152.07079	100.0
153.05476	5.3
153.07410	3.1
158.38730	1.4
160.03917	2.5
161.04654	2.3
190.04984	2.0
197.11763	2.3
209.11729	4.1
211.12311	1.5
223.08743	14.3
223.12392	1.8
224.09508	5.2
225.10345	4.0
235.12350	3.8
237.10345	19.0
238.11041	9.5
239.11865	17.5
245.13060	1.5
251.08240	1.8
251.11798	8.5
263.08331	3.3
264.09021	4.6
265.09775	5.9
267.11365	2.3
271.10809	6.1
277.09726	4.5
278.10538	2.9
279.08514	2.4
279.11371	26.5
280.11954	4.7
281.12936	3.0
282.61368	1.3
283.10803	4.1
285.03958	2.4
291.11414	5.7
292.12000	3.4
293.13043	2.2
295.10980	2.6
313.10794	2.6
323.10321	5.6
324.10739	1.6
325.11835	3.1
335.08963	2.8
355.12897	4.6
360.17075	5.4
372.17096	1.8
376.20355	1.6
388.16492	2.1
389.17368	2.1
400.20313	2.0
402.18210	28.8
403.18881	7.1
404.19907	6.6
444.19318	14.3
445.19724	3.1
446.17264	2.5
447.17734	1.9
448.12982	2.0
448.18817	33.4
449.19135	4.5
457.15155	1.8
460.18399	1.5
481.35760	2.5
488.18219	15.6
489.18854	9.9
508.20920	3.0
520.20868	24.8
521.21411	8.9
523.27087	3.1
525.25134	8.4
553.21112	1.8
567.26074	16.6
568.26080	4.5
570.24664	3.5
583.24689	1.6
611.25134	39.7
612.25305	9.9
643.27704	87.3
644.27844	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	643.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03584	0.5
54.58474	0.5
59.01247	1.3
59.82024	0.4
69.26434	4.3
69.26836	0.7
71.01241	0.9
80.04921	2.5
94.06488	4.1
105.05717	1.0
106.06506	1.8
107.03654	8.2
120.04407	1.0
120.08080	24.0
121.05190	0.8
121.08408	1.7
122.06007	75.2
123.06350	3.0
124.07571	2.3
132.04420	3.3
134.06030	7.1
136.07549	1.8
137.04741	0.6
139.02644	2.0
147.03253	0.5
148.03996	1.0
150.05563	1.2
152.07077	79.8
153.07428	3.4
158.02414	1.3
160.03966	1.7
161.04613	0.9
162.05547	0.6
164.03441	0.8
164.07089	1.9
172.07562	0.7
174.05547	1.5
178.30075	0.5
190.05032	4.3
196.45226	0.5
197.11984	0.8
199.43666	0.6
200.07228	0.6
209.11720	0.8
210.07881	0.9
211.08568	0.6
211.12415	1.6
221.10828	1.5
223.08705	7.4
223.12201	0.6
224.09447	3.3
225.10275	3.0
235.08704	0.8
235.12321	2.2
236.09447	1.6
237.10292	12.5
238.11023	4.5
239.11864	8.8
241.13403	1.5
243.14877	0.7
245.12891	4.5
249.06703	1.8
249.10329	1.8
250.07413	1.2
251.08234	4.7
251.11862	5.3
252.08713	0.6
252.12436	1.3
253.09508	0.7
253.13422	0.8
262.07510	0.7
263.08267	4.2
263.11819	1.0
264.09009	9.2
265.09793	7.7
265.12656	0.9
266.10458	1.5
267.11356	2.0
269.12781	0.7
271.10873	2.5
276.08987	1.1
276.81384	0.6
277.09799	3.5
278.10623	4.1
279.11377	30.2
280.09015	1.0
280.11996	6.4
281.12827	2.5
283.10822	1.7
291.11420	7.5
292.11990	3.0
293.12872	1.7
295.10889	4.3
295.14206	0.9
296.11536	0.9
297.12387	0.6
305.09412	1.3
305.93683	0.7
306.10132	0.8
307.11154	0.9
308.11661	0.6
310.13010	0.6
311.13983	1.4
312.11121	1.0
313.11942	2.7
322.09735	0.7
323.10394	8.3
324.11191	3.0
325.11905	3.6
326.12527	1.0
339.09750	0.9
342.12079	0.6
355.12967	2.0
356.13797	0.7
358.15405	1.0
360.17267	1.9
361.17856	0.6
372.17249	1.1
373.17651	1.0
374.18643	1.2
375.44388	0.8
376.20187	0.9
384.17197	0.8
386.14740	0.8
386.18991	0.8
387.15985	0.7
388.16626	1.9
389.17422	1.0
400.20413	1.4
402.18246	12.5
403.18573	2.7
404.19894	1.6
414.18173	1.7
416.15396	1.1
416.20035	1.7
417.20932	1.1
420.19174	0.6
426.18463	0.8
427.19415	0.6
429.17105	0.8
430.17599	1.7
431.18347	0.9
443.18350	0.9
444.19281	13.8
445.19846	3.3
446.17090	1.0
447.17944	0.8
448.18759	6.6
449.19141	1.9
458.17493	0.7
460.18777	1.5
461.19809	2.5
470.17203	0.8
471.17740	1.7
488.18253	17.9
489.18945	17.0
490.19510	3.4
508.20746	0.7
511.23102	0.8
520.20862	20.3
520.28864	1.0
521.21460	5.0
525.24957	1.7
543.72101	0.6
567.26093	32.3
568.26563	7.9
583.25848	1.6
593.23828	1.0
611.25092	100.0
612.25397	22.4
612.33301	0.6
643.27625	28.5
644.27747	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	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65847	0.7
53.74433	0.6
59.01253	5.6
59.38399	0.5
61.98709	3.0
65.00184	0.6
67.01750	1.1
69.21219	6.6
71.01231	3.1
73.02834	0.8
79.95599	0.7
85.02805	2.0
87.00705	0.8
89.02316	1.5
90.04023	0.7
93.03296	0.6
95.01278	0.9
96.95889	15.0
101.02332	1.7
107.04889	0.8
109.02839	4.0
111.00775	0.7
113.02358	1.2
116.19420	0.7
119.03394	0.7
120.51861	0.6
122.06007	0.7
123.00748	0.7
123.04401	0.9
124.01492	0.8
135.04410	1.0
136.01547	1.9
137.02344	25.7
138.02791	1.2
139.03909	1.1
148.01564	0.8
148.63528	0.6
149.02364	0.8
150.03131	2.1
151.00287	6.4
151.03900	4.4
151.07491	0.7
152.01021	1.1
152.04655	1.5
161.02370	1.1
161.04486	0.7
163.03967	1.0
164.01050	2.4
165.01849	100.0
165.05423	3.4
166.02631	15.7
167.03421	3.0
175.03957	1.2
177.01877	1.1
177.05391	1.3
178.02542	0.9
179.03433	21.2
179.07066	1.0
180.04208	54.7
181.04980	18.8
182.05374	1.2
184.03717	0.7
187.03944	2.5
192.04176	0.8
193.05051	1.0
194.05786	3.7
195.02885	2.2
195.06567	74.0
196.06886	3.9
199.88890	0.6
205.05006	5.0
209.85747	0.6
210.05269	11.2
219.06613	0.8
220.07393	2.2
221.07983	0.9
225.07640	51.0
226.08023	2.4
235.09795	1.0
237.04268	1.0
256.99750	4.0
287.10403	1.4
359.11511	2.4
371.37836	0.7
387.10657	2.5
387.14853	7.2
395.13834	4.8
402.13370	1.5
403.14041	2.4
416.14886	1.4
417.15546	28.1
418.15964	2.9
463.12958	0.9
537.06445	0.7
557.09827	1.3
565.20496	2.0
567.22662	1.6
577.21729	0.8
580.19604	1.1
595.21887	37.3
596.22156	6.4
599.10699	1.6
611.22076	1.1
625.24536	0.8
643.08917	1.3
643.19476	3.0
643.36505	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	643.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56344	0.8
57.91383	1.2
59.01239	2.8
71.01267	1.2
71.07510	1.0
71.07844	1.4
78.07882	0.7
80.04930	3.4
80.97648	0.7
83.45863	0.9
84.72968	0.9
94.06499	5.3
96.95881	2.0
104.04951	1.0
104.35468	0.7
104.83290	0.9
105.05730	1.4
106.06504	2.4
107.03657	10.3
108.04442	0.9
120.04449	1.7
120.08080	24.7
121.05215	1.2
121.08414	1.3
122.06008	86.6
123.06335	2.6
124.07576	2.6
132.04471	5.4
134.06012	7.5
136.06480	0.8
136.07567	1.6
137.04785	1.1
139.02629	1.2
148.03951	1.6
150.05498	2.6
152.07077	99.7
153.07425	4.5
158.02390	1.1
160.03911	1.5
162.05540	1.4
164.07082	1.9
166.04979	1.2
167.05710	0.8
172.07626	0.9
174.05528	1.9
176.03479	1.0
190.05054	4.0
197.11789	3.0
208.34579	0.9
209.11745	1.7
211.12244	0.9
219.44598	0.9
221.10803	2.2
223.08684	10.6
224.09436	3.7
225.10162	2.8
227.12138	0.8
233.64926	0.8
235.08749	1.8
235.12366	2.4
236.09563	2.4
237.10294	14.1
238.10954	4.0
239.11858	9.5
245.03882	0.8
245.12929	6.2
249.06726	2.2
249.10283	2.9
250.07515	1.4
251.08138	4.5
251.11819	8.9
252.12489	1.2
263.08295	5.5
263.11761	1.1
264.09027	12.0
264.11935	1.4
265.09811	10.0
266.10495	1.5
267.11319	1.5
271.10931	1.9
275.76343	0.8
276.08871	2.5
277.09778	5.6
278.10565	6.4
279.11380	42.2
280.11978	6.4
281.12820	1.6
283.10660	1.0
285.12387	1.1
291.11371	10.9
292.12183	4.6
293.09579	1.0
293.12827	1.7
295.10919	5.3
295.14185	1.4
296.11407	1.4
305.09323	1.9
305.13052	1.3
306.10046	1.0
311.13986	1.4
313.11908	1.7
322.09692	1.7
323.10263	8.8
324.10995	3.0
325.11960	3.8
326.12692	1.3
339.09756	1.4
342.12045	1.5
351.75919	0.9
355.13086	3.1
358.15417	1.1
358.19513	1.0
360.17041	3.1
372.17325	2.2
376.20483	1.0
386.14767	1.2
387.19742	1.4
388.16602	1.9
389.17453	1.0
400.20508	1.2
402.18207	16.0
403.18906	3.0
404.19934	2.1
414.18265	2.4
416.20013	2.5
417.20596	2.0
430.17911	1.8
443.18604	1.2
444.19348	15.1
445.19928	2.6
446.17035	1.9
448.18732	7.0
449.19232	1.9
460.19012	1.5
461.19397	3.6
470.17578	1.0
471.17838	1.9
488.18286	30.0
489.18982	21.3
490.19379	2.8
520.20892	50.6
521.21320	8.9
523.26630	1.3
525.25061	3.4
567.26111	38.4
568.26410	7.3
583.25726	1.9
593.24347	1.9
611.25079	100.0
612.25360	20.8
643.27777	30.9
644.27844	5.5
644.36951	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	641.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.8
61.98695	5.7
63.71627	1.4
63.84900	1.4
71.01250	2.0
71.50165	2.2
80.04916	8.1
94.06491	2.6
96.95892	7.0
104.04935	4.2
106.04657	1.7
106.06485	3.0
107.03660	7.1
121.05208	3.3
122.06004	55.9
124.07621	2.3
130.06439	2.2
132.04471	2.4
134.06033	17.5
139.02654	2.9
148.03946	3.7
150.05508	3.4
152.07079	85.6
153.07413	4.5
160.03941	3.2
160.06325	7.7
161.04683	3.0
162.05554	1.8
174.05504	7.0
186.05569	2.5
190.05029	3.0
195.10191	3.4
209.11804	2.2
211.13466	2.0
213.10266	34.7
214.10527	2.7
223.08662	3.2
225.10242	2.2
226.11003	3.4
237.10361	2.4
239.11853	28.1
240.12079	2.6
241.13441	16.7
245.12946	11.6
251.11882	4.9
263.08240	2.1
265.09760	2.0
267.11371	2.8
277.09683	2.2
285.12448	66.8
286.12692	7.8
293.12988	9.3
295.10837	7.2
302.08936	1.7
313.11923	11.0
314.12463	2.3
315.14755	2.6
316.14536	1.9
323.10257	12.5
324.10934	2.0
325.11923	8.7
326.12766	3.8
328.10901	8.3
330.12589	2.5
332.17661	1.8
339.09775	3.5
340.14554	2.8
342.12396	6.8
343.13190	7.3
344.14035	7.2
355.13132	7.9
356.13806	4.6
356.17697	2.8
357.14755	4.8
358.15561	35.7
359.16113	7.6
369.14566	2.0
369.18704	2.0
370.11734	4.0
372.17221	3.5
384.13422	7.7
385.13705	4.1
395.85330	1.6
397.14145	2.7
398.15189	2.2
400.16541	25.7
401.16879	4.1
412.16782	7.3
413.17001	1.8
497.25452	4.7
509.21869	2.9
521.25537	2.9
523.23627	24.1
524.23914	7.8
541.24030	2.3
565.24548	91.8
566.24725	19.4
567.22101	2.2
568.23053	12.6
569.23755	4.6
581.24365	2.1
592.22412	1.9
597.26263	5.4
609.23560	100.0
610.23877	24.8
641.26007	40.2
641.35883	3.1
642.26300	7.8
642.35626	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	641.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16697	0.7
59.01249	4.3
59.68737	0.8
61.98695	2.9
69.03341	0.9
69.21909	8.2
71.01246	2.4
78.95796	1.2
80.96394	1.5
89.02346	1.0
93.03378	1.2
96.95884	3.5
101.02338	1.1
108.02071	7.4
109.02852	1.0
110.32047	0.7
116.92725	0.8
117.25960	0.8
119.04908	2.6
121.02822	2.5
122.03629	2.1
123.04400	6.2
128.03391	1.0
133.02887	2.2
133.05272	0.9
134.03636	3.8
134.05997	3.0
135.04420	6.4
136.01559	92.2
136.07559	1.6
137.01891	3.6
145.06161	0.8
147.04431	2.0
148.01556	2.0
148.04070	1.5
148.05193	15.6
149.02359	7.0
149.05959	2.5
150.03128	17.1
151.03914	100.0
152.04326	3.7
152.07080	0.8
153.05428	1.3
162.05556	1.6
163.03941	2.8
164.04697	1.7
165.05446	10.9
174.05554	2.6
175.03893	2.4
176.03497	2.1
177.04218	1.3
177.06639	6.9
178.05011	8.6
189.06667	0.8
190.04979	5.4
191.03433	3.4
224.26759	0.8
237.04335	2.3
245.92912	0.7
254.11855	1.0
294.11578	0.9
296.12997	1.5
297.10092	3.4
298.10715	2.1
301.03656	0.8
310.10663	1.0
311.11041	1.2
311.14236	8.8
312.12384	36.8
313.12680	2.9
323.14111	1.6
324.12500	1.9
326.13864	1.3
328.11884	26.5
329.12430	1.4
337.12024	4.1
369.14557	1.5
402.13397	1.3
406.63995	0.8
428.15009	1.7
431.19601	10.9
432.18387	3.0
460.17676	9.2
461.17920	1.3
461.28467	1.1
471.15878	1.1
489.20355	25.3
490.20694	5.8
517.19769	1.2
591.21173	2.0
623.23907	9.6
624.24420	2.6
641.24701	4.7
641.36011	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	641.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29838	0.5
52.77403	0.5
59.01249	10.4
61.98699	1.2
64.29400	0.4
70.35983	1.3
80.04923	9.6
94.06505	2.6
104.04935	3.9
106.06502	3.0
107.03645	5.5
117.14553	0.5
120.04417	2.5
120.08094	3.1
121.05228	3.5
122.06007	46.0
123.06360	1.9
124.07564	0.8
130.06505	0.8
132.04492	3.6
134.06015	14.2
136.07549	0.7
139.02647	1.8
148.03961	2.6
150.05478	2.1
152.07076	55.8
153.07420	2.5
158.02399	0.9
160.04036	2.6
160.06317	7.9
161.04723	1.6
162.05482	1.0
164.07126	1.1
173.04726	0.6
174.05533	5.7
176.03470	0.5
180.06573	0.7
186.05560	0.5
190.04968	4.4
192.06717	0.6
195.10362	0.6
197.07118	1.3
198.12822	0.9
209.11664	0.7
211.08678	0.9
213.10266	40.8
214.10588	2.3
214.12398	1.0
222.07735	0.5
223.08710	2.0
224.09369	0.7
225.10123	4.6
226.10974	4.0
227.11581	0.8
229.98497	0.5
235.08775	0.8
236.09410	1.4
237.10278	2.1
238.11047	0.6
239.11853	22.8
240.12230	1.9
241.13434	20.8
241.16003	0.8
242.13652	2.5
245.12909	10.5
246.13046	0.6
249.06656	1.5
249.10289	0.5
250.07211	0.8
251.11884	3.9
253.09935	0.7
264.08945	0.6
265.09827	2.5
265.13425	1.0
266.10254	0.5
267.11380	1.6
277.09799	1.0
278.10556	1.1
279.07935	0.5
279.11221	1.1
280.08401	0.6
285.12436	82.8
286.12735	8.2
293.09314	1.8
293.12885	12.8
294.10104	0.6
294.13275	1.8
295.10846	7.5
296.11362	1.1
297.12378	1.2
307.10983	0.9
311.13995	0.6
313.11868	7.5
314.12634	1.4
315.14801	0.7
316.14548	2.3
323.10333	14.7
324.10883	2.3
325.11911	5.4
325.15451	0.7
326.12589	2.0
327.10068	0.7
328.10919	4.4
328.14453	0.9
329.11462	0.9
330.12479	1.1
330.16141	0.8
332.17618	2.0
339.09750	2.0
339.13501	0.6
340.10791	1.1
340.14645	1.8
341.11630	0.7
342.12378	3.7
343.13321	5.3
344.14114	3.9
344.17761	1.1
345.14554	1.4
355.13004	8.5
356.13702	3.0
356.17743	2.4
357.14862	4.6
358.15591	27.8
359.15897	5.2
367.13513	1.2
368.10226	1.2
369.14621	1.4
370.11816	3.1
370.15573	1.1
371.12527	1.0
372.17017	1.7
382.15649	1.4
384.13327	7.6
384.17358	0.8
385.14063	2.9
396.13416	0.7
397.14053	1.1
398.14954	1.9
399.15811	2.8
400.16614	23.1
401.17056	3.3
412.16638	6.2
413.17004	1.0
430.17441	0.6
444.15637	1.0
497.25504	3.1
498.25363	1.2
508.20770	0.6
509.21854	1.4
521.25415	2.1
523.23511	15.0
524.23846	4.0
537.25507	2.4
541.24908	1.6
547.23535	0.7
550.21948	0.8
565.24518	97.4
566.24872	22.9
567.22382	1.1
568.23236	4.2
569.23596	1.4
581.24078	1.3
582.23724	0.7
591.22437	1.1
597.26801	1.3
609.23505	100.0
610.23840	27.3
641.26123	21.0
642.26257	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	641.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.9
61.98697	2.7
68.65138	0.6
71.01253	2.5
71.29359	1.0
78.66917	0.5
78.95784	1.3
79.95600	1.1
80.96406	1.4
85.02819	0.6
85.10226	0.5
89.02319	1.0
93.03315	1.0
95.01261	0.7
96.95882	3.8
101.02360	0.8
106.65129	0.5
107.04921	0.6
108.02056	6.2
109.02824	1.2
112.10761	0.5
116.92739	0.6
119.04920	3.0
121.02855	2.5
122.03620	2.6
123.04424	6.5
124.01526	0.6
127.05059	0.6
128.03441	1.0
133.02881	1.7
133.05260	1.5
134.03679	2.6
134.05992	3.1
135.04398	4.2
136.01559	90.2
136.07558	2.1
137.01881	3.0
146.06020	0.8
147.04457	1.4
148.01585	1.9
148.05196	15.4
149.02353	8.1
149.05994	2.6
150.03131	17.8
151.03912	100.0
152.04256	4.5
152.06992	0.6
153.05461	1.6
160.03932	0.7
162.05511	2.2
162.06702	0.7
163.03947	3.1
164.04715	1.9
165.05486	12.1
174.05528	1.6
175.03951	1.4
176.03491	1.4
176.05798	0.9
177.04280	0.7
177.06625	5.1
178.05020	9.0
189.06738	0.8
190.04997	3.9
191.03452	3.4
192.06616	1.3
237.04315	1.2
244.72433	0.5
253.08882	0.7
254.11835	0.8
283.01227	0.8
292.33926	0.5
296.12943	1.1
297.10007	4.3
298.10846	1.7
301.03528	1.1
302.04047	1.0
308.09210	0.5
309.12732	0.9
310.10776	1.2
311.14249	9.0
312.12384	37.8
313.09473	1.3
313.12790	4.0
323.13928	0.9
324.12445	1.8
326.14041	1.1
328.11880	25.6
329.12216	2.6
337.11945	4.7
369.14813	1.0
402.13312	1.2
413.12738	0.8
428.14932	1.6
431.19681	12.1
432.18481	3.4
433.18427	0.7
457.17459	1.2
460.17633	10.6
461.17807	1.4
461.28619	0.8
465.09396	0.8
471.15710	1.0
489.20316	26.1
490.20645	4.3
517.19476	0.8
591.21277	3.0
609.24176	0.7
623.23804	9.3
624.24268	2.6
641.25409	4.4
642.26276	0.7
658.47528	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	639.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.0
59.01247	13.8
61.98715	4.7
70.67570	3.0
71.01253	6.1
75.00748	1.6
85.02821	2.3
88.98662	1.4
89.02312	4.2
93.03324	4.2
96.95872	3.8
99.04393	1.9
101.02309	3.3
108.02037	5.4
109.02857	6.2
112.57550	1.1
113.02293	1.9
116.92755	1.3
121.02808	2.9
123.04390	3.3
130.04114	1.1
133.05228	28.6
134.03658	1.7
134.06012	29.4
135.04408	2.3
139.03868	1.4
146.03632	1.4
148.04013	1.3
148.05238	0.9
158.03651	2.5
159.04387	8.7
160.03964	6.3
161.02403	4.9
173.06007	3.5
175.03996	1.5
193.04999	1.2
213.04185	2.1
214.04971	5.5
227.02220	1.6
228.02934	2.8
232.06133	1.2
235.13202	1.2
239.07149	1.9
240.04395	1.4
241.03711	1.3
242.04477	5.6
245.03259	12.6
249.05455	2.2
250.06334	1.3
251.06960	1.6
252.03642	1.0
263.07043	1.2
264.07977	1.4
265.05032	4.1
266.05756	5.7
267.06607	14.0
268.07452	4.9
269.04498	1.7
273.02786	17.0
279.06583	1.4
281.08133	10.9
282.09042	11.6
283.06378	1.5
283.09683	13.8
284.09958	1.4
286.21240	1.1
293.04486	1.6
297.11383	4.8
319.08499	1.8
320.09183	4.2
321.10080	1.1
322.10745	1.4
334.10828	2.2
336.08676	2.2
336.12323	2.0
339.10468	1.0
347.07898	4.9
348.08728	33.4
349.09000	4.4
350.06598	2.4
362.10281	14.3
363.10287	1.4
364.08176	2.7
365.08670	1.8
366.09637	1.2
381.04785	6.1
385.10690	1.1
397.08044	3.4
398.10785	1.4
400.12766	1.2
415.15332	1.8
428.11331	1.1
430.12808	2.0
441.12024	1.8
442.12875	3.7
443.13727	1.3
444.14734	1.4
445.15262	4.9
455.09979	2.7
456.09985	1.5
456.15274	2.2
457.14673	1.2
458.16229	5.0
459.27423	4.3
460.17630	45.4
461.18015	6.3
470.12433	31.8
471.13040	12.9
472.13272	2.3
486.15558	100.0
487.15817	15.3
535.32086	2.3
545.19287	11.8
546.19543	1.7
578.21899	6.3
578.70984	1.1
579.21399	1.5
621.22388	58.2
622.22736	12.8
639.23242	5.5
639.33044	2.3
640.24072	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	639.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46017	0.9
57.03323	1.2
59.01249	18.0
61.98703	5.9
71.01259	13.9
71.20247	1.1
71.20587	1.9
72.99167	2.0
73.02834	1.9
75.00745	1.7
78.90256	1.0
78.95760	1.3
83.04890	1.1
85.02837	3.4
87.00772	1.1
88.98673	1.4
89.02306	7.7
93.03329	2.7
95.01244	1.0
96.95881	2.6
99.04417	5.2
101.02326	6.8
108.02036	6.5
109.02835	6.6
113.02328	3.8
116.92709	4.0
119.03376	3.0
119.04886	1.0
121.02843	2.7
123.03500	1.1
123.04385	4.7
128.03391	1.3
131.03433	1.0
133.05241	9.9
134.03667	1.0
134.06020	17.8
135.04407	1.7
136.01579	3.5
137.09772	1.0
143.03366	1.2
145.02863	1.9
146.03664	6.4
148.04044	1.3
148.05202	1.2
151.03912	6.8
158.03630	2.8
159.03177	1.3
159.04408	4.1
160.03955	20.4
161.02296	1.1
161.04343	2.8
161.05917	1.2
173.05954	1.5
175.03905	1.4
179.05504	1.2
189.04440	0.9
202.05017	3.5
203.03273	1.1
212.03410	1.6
213.04372	1.1
214.05025	7.4
216.06606	1.7
218.05862	1.2
228.02863	1.5
229.03319	1.1
229.15974	1.1
233.08200	1.4
235.13255	6.9
237.05548	1.1
242.04527	3.4
245.03293	2.2
266.05804	3.2
267.06598	5.3
268.07220	2.0
273.02795	5.4
273.14969	2.6
279.06696	1.8
281.08118	3.2
282.08972	3.5
283.09744	3.4
293.04648	1.1
300.02704	1.6
309.06503	1.4
320.09216	1.4
322.07043	4.1
322.10855	2.9
324.08841	2.0
335.11688	1.2
336.08655	2.7
336.12393	5.7
347.07968	3.8
348.08755	17.5
352.11768	1.6
362.10272	6.3
366.09683	1.2
381.04703	1.5
392.12354	1.1
397.08035	2.7
417.15488	4.3
428.10983	1.3
429.12152	1.7
442.12167	1.3
443.13840	2.3
444.14438	8.4
445.15237	3.3
456.10867	2.2
458.16125	15.5
459.16290	2.6
459.27344	10.6
460.17679	19.9
461.18085	3.6
470.12283	9.6
471.13199	6.1
476.17206	1.8
485.17477	2.1
486.15573	100.0
487.15857	17.2
497.17197	2.9
545.19391	5.6
546.19543	1.4
578.21783	1.7
609.30267	4.0
609.80292	2.6
610.30493	1.5
621.22321	18.9
622.22186	4.7
639.23389	5.8
639.34241	8.2
640.23901	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	639.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.8
60.03839	0.8
61.98683	2.4
62.90361	0.8
62.99493	0.9
63.02257	0.8
65.00197	1.8
69.11514	0.8
71.01272	7.0
71.05060	2.7
72.99158	1.1
73.02820	1.4
73.93096	0.9
75.00735	1.3
78.95769	4.2
83.01283	1.4
83.04881	1.4
83.93905	0.9
84.76448	0.8
85.02811	2.8
89.02301	3.7
93.03327	6.5
95.01221	0.9
96.95901	4.6
99.04371	2.3
101.02312	3.8
107.01239	1.9
108.02036	2.1
109.02802	3.0
113.02316	2.7
119.04908	1.2
121.02855	13.2
132.02071	0.9
133.02922	1.0
133.05225	14.3
134.06000	3.9
135.04413	4.0
145.82806	0.9
146.45316	0.9
148.03934	1.8
149.02364	1.7
151.00267	9.3
159.03151	1.1
159.04398	2.6
160.03937	10.4
161.02347	2.0
161.04495	0.9
174.05475	1.5
175.03896	2.1
178.99872	4.6
187.03912	1.6
211.07603	2.9
214.05090	1.1
221.05928	3.3
223.05775	1.6
223.07623	2.6
225.05435	1.1
235.07619	1.1
235.13319	1.0
237.05505	4.3
238.06053	1.1
239.07112	8.2
248.04681	2.2
249.05501	5.3
250.06335	1.3
251.03386	2.5
251.07141	1.2
255.02957	1.8
263.07086	4.1
265.05014	5.5
265.08630	1.2
266.05878	4.2
267.06604	51.1
268.07159	8.1
269.07986	2.5
271.09827	1.3
277.05075	2.2
279.06406	1.7
280.07312	2.2
281.08194	7.1
282.08963	46.6
283.06592	1.7
283.09589	14.2
284.10083	1.7
293.04587	4.8
294.05249	3.3
295.09723	1.2
296.10568	9.2
297.11310	64.2
298.11624	5.8
300.02646	4.0
301.03516	100.0
302.03867	10.2
306.08197	1.0
307.06100	1.8
308.06604	2.5
309.07590	10.8
310.07764	1.5
311.07532	1.3
315.05084	8.5
322.07474	1.1
323.09024	4.3
338.10211	3.0
350.10318	1.7
352.08054	3.3
352.11871	3.6
364.08200	1.3
382.12607	2.8
385.10818	7.6
400.13010	5.9
401.13434	1.4
414.11469	1.0
415.15485	13.8
416.15866	2.2
428.10992	4.4
430.12927	18.7
431.13370	2.9
443.13541	2.6
444.14163	2.7
445.15247	11.8
446.16287	4.5
458.16177	25.5
459.16211	2.6
459.27426	10.5
460.17654	90.0
461.18057	14.7
476.17303	5.2
484.13834	3.7
486.15646	19.5
487.15891	3.6
515.18292	2.2
527.18414	1.8
545.19232	7.8
546.19830	1.7
552.02509	1.1
578.21893	18.3
579.22443	4.4
579.33716	2.7
597.34723	1.4
621.12610	2.0
621.22430	33.2
622.22705	7.3
639.13275	11.6
639.23425	15.1
639.34198	6.9
640.13818	3.0
640.23706	3.3
640.33032	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	639.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.2
61.98703	3.8
70.51644	3.7
71.01258	1.2
71.04881	1.3
75.91306	0.9
93.03332	6.7
109.02866	1.4
112.05295	1.0
121.02853	9.0
124.01543	1.8
129.72067	1.1
133.02820	1.2
133.05223	19.7
133.06175	1.7
134.06000	3.3
135.04436	4.2
139.03922	3.3
147.27016	1.0
148.04007	1.7
149.02419	1.1
149.04764	2.2
159.04416	2.1
160.03966	11.7
160.05199	1.7
161.02304	5.9
165.06934	1.1
173.02312	1.7
174.03180	1.1
174.05525	1.4
182.58156	1.1
195.04343	1.1
197.05989	1.0
211.07504	1.5
221.06058	3.4
222.06862	1.8
223.03938	1.1
237.05579	5.1
239.07101	9.9
248.04829	2.0
249.05611	5.4
250.06297	1.5
251.03439	2.0
251.07045	1.9
252.03897	1.2
255.26013	1.0
263.07123	5.8
265.05151	4.7
266.05878	3.5
267.06619	58.7
268.07257	8.0
269.08118	3.1
270.11316	3.5
277.05118	2.5
279.06793	1.5
280.07501	1.5
281.08188	6.1
282.08981	58.8
283.09637	16.8
284.10135	1.3
293.04547	5.2
294.05182	3.1
295.06149	2.0
295.09546	2.0
296.10547	9.7
297.11316	84.7
298.11581	7.5
301.03568	4.7
301.07056	1.5
306.07541	1.5
308.06900	2.5
309.07687	16.6
310.07666	2.2
323.09070	4.8
326.10165	1.7
338.10489	2.3
350.10519	1.4
352.08224	2.8
352.12048	2.4
364.07971	1.4
367.09595	1.2
382.12823	3.6
385.10806	8.3
400.13000	9.8
401.13599	2.0
415.15573	19.0
416.15619	3.0
428.11401	4.6
430.07031	2.0
430.12854	20.4
431.13306	3.6
443.13828	6.5
444.14099	2.0
445.15442	11.8
446.15900	5.4
458.16074	29.6
459.16547	7.5
460.17633	100.0
461.17902	15.4
476.17072	4.6
484.13974	7.2
486.15613	16.6
487.16150	2.5
515.18634	1.7
527.18152	3.3
545.19220	8.7
546.19568	1.4
578.21826	27.3
579.22119	5.2
621.22424	38.2
622.22467	8.2
639.23389	8.5
640.23846	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	639.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.3
63.02271	0.9
63.76408	0.1
65.00191	1.2
68.65741	0.1
69.18615	1.3
73.67609	0.1
77.98145	0.1
78.55265	0.1
83.01256	1.2
91.01785	0.1
93.03331	0.5
95.01260	0.3
96.89463	0.1
98.20658	0.2
105.71329	0.1
107.00537	0.2
107.01266	2.9
108.02044	0.3
109.02827	2.1
111.00804	0.1
114.23868	0.1
119.01252	0.2
121.02849	2.0
123.00781	0.1
132.02078	0.2
133.02820	0.2
134.03589	0.3
135.00746	0.3
135.04369	0.2
137.02309	0.3
139.03908	0.4
145.02838	0.1
145.06381	0.1
146.03584	0.2
147.00766	0.2
147.04449	0.2
148.01570	0.3
149.02374	0.7
151.00269	9.8
152.00648	0.4
155.04916	0.2
159.04482	0.5
160.01566	0.8
161.02267	0.3
161.06017	0.2
163.00266	1.0
163.03902	0.2
164.01012	0.3
165.01811	0.3
167.04955	0.3
169.01375	0.7
171.04384	0.2
173.02364	0.3
173.05983	0.4
174.02985	0.2
175.03937	0.8
177.01851	0.2
178.99770	4.0
180.00027	0.2
183.04427	0.4
185.02486	0.1
185.05969	0.4
187.03906	0.6
189.01854	0.2
192.00531	0.3
193.01331	0.2
199.03873	0.2
200.04608	0.2
201.05504	0.8
203.03372	0.3
211.03903	0.7
212.04578	0.1
213.01836	0.6
214.02477	0.2
215.03470	0.2
217.04993	0.3
227.03455	1.2
229.04881	0.3
230.02139	0.2
239.03471	0.2
243.03004	0.3
244.03619	0.1
245.04555	0.7
255.02931	1.7
256.03647	0.3
257.04471	0.2
259.02386	0.2
271.02487	0.5
272.03040	0.3
273.03961	0.4
283.02499	0.3
284.03253	0.2
299.02231	0.2
300.02710	2.5
301.03506	100.0
302.03867	7.9
302.06696	0.1
315.05090	6.2
316.05560	0.5
323.08020	0.1
445.07617	0.3
459.27582	0.2
463.09366	0.1
486.80527	0.2
489.10611	0.1
510.84781	0.1
517.09698	0.4
639.13531	9.7
640.13934	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	639.1566
Annotation	Isorhamnetin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
54.03813	0.7
59.01262	1.0
69.69454	3.4
70.71878	0.6
78.95766	0.6
87.00713	0.7
87.15013	0.6
89.02326	0.7
96.95897	1.3
107.01217	0.7
109.02872	1.3
133.02821	0.7
151.00273	1.4
152.01089	0.9
153.01804	1.9
156.55222	0.6
161.02313	2.6
166.02580	1.0
167.31799	0.6
214.02672	2.1
214.79530	0.7
241.01279	1.3
242.02156	15.7
243.02679	1.5
245.00845	4.2
258.34244	0.8
265.90900	0.6
270.01697	26.4
270.84128	0.6
271.02283	3.5
273.00504	0.8
285.03998	12.2
286.04434	1.2
298.01157	5.9
299.01901	3.3
300.02612	1.3
313.03537	100.0
314.04022	11.5
315.05084	6.2
331.81125	0.7
476.09369	3.9
477.10321	5.5
478.10355	0.7
639.15662	86.4
640.15967	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	639.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.9
60.03345	1.1
61.98703	5.2
65.00179	1.4
69.23719	0.7
69.23900	2.8
69.24324	6.0
71.01244	3.5
78.95793	1.2
84.00797	1.5
85.02818	2.6
89.02307	1.4
93.03316	7.6
95.01263	1.3
96.95879	1.5
97.02825	1.3
99.04394	1.2
101.02310	2.6
105.75779	0.9
108.02057	21.8
109.02285	1.1
109.02840	12.8
113.02299	2.4
119.04915	12.2
120.04423	2.1
121.02818	7.6
122.03568	0.9
123.04444	6.5
131.03647	2.6
132.04471	2.4
132.05600	1.1
133.05228	38.3
134.03653	1.5
134.06107	5.2
135.04391	17.0
136.04723	1.4
139.03873	1.2
145.02837	2.4
147.06776	1.1
148.01573	2.4
149.02339	2.7
149.05998	1.4
151.97055	1.0
153.05473	2.4
159.04388	1.2
160.03954	14.0
161.02333	4.5
161.04312	1.2
162.05487	3.3
165.01813	4.1
172.03952	2.7
173.06117	1.1
175.35730	1.0
178.04959	1.1
178.40404	0.8
193.06546	2.1
221.05971	2.6
237.05492	4.5
238.06218	1.5
239.07103	12.2
247.07599	1.7
249.05571	7.4
250.06242	3.6
253.05020	3.8
254.09554	5.0
255.10052	1.2
263.07300	1.6
264.06680	2.9
265.04929	2.3
265.07495	1.7
266.05792	1.4
267.06564	1.9
271.06076	1.2
278.08521	1.1
280.10001	1.5
281.08109	2.6
290.08224	4.2
292.06177	2.2
293.06827	3.3
294.07648	1.4
301.03482	7.3
301.07098	5.3
306.11319	1.8
307.11905	2.0
308.09222	7.2
308.12451	1.6
309.12381	2.8
309.15717	1.2
310.10663	1.9
318.07892	1.6
320.09106	1.3
324.08633	2.3
324.12192	1.1
339.10919	2.0
353.34863	1.0
357.11209	4.0
368.10434	3.0
372.12238	1.1
382.10861	2.6
383.11493	1.5
400.11844	57.0
401.12134	7.7
410.10275	1.7
411.11057	17.8
412.11533	5.6
414.13394	6.8
415.14154	7.9
416.14679	2.7
425.12927	1.9
426.13370	28.5
427.13477	4.2
428.15097	9.8
429.17960	1.4
430.16620	57.6
431.16815	7.8
440.15054	2.3
447.13019	1.1
454.11761	2.7
455.12427	1.9
458.15948	8.4
459.27469	4.2
460.17654	10.2
461.18436	2.0
469.07764	1.3
469.13989	16.6
469.20639	1.2
470.14157	2.8
476.17081	2.7
483.15436	2.8
515.17987	3.0
535.31042	1.8
545.18945	9.8
546.19299	2.6
549.23969	1.2
553.32172	2.2
579.34027	1.2
589.19763	40.1
590.20044	6.9
621.22357	100.0
622.22748	21.8
639.16260	2.9
639.25140	2.0
639.34570	3.0
640.33820	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	637.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41183	0.9
53.79881	1.1
55.01736	1.1
56.78129	0.9
57.03329	1.6
59.01249	12.3
61.98695	9.0
65.03830	2.0
69.03322	2.1
70.98844	2.0
70.99187	1.0
71.01263	8.1
72.99165	1.1
73.02810	2.5
85.02808	3.7
85.99955	1.1
87.00765	2.6
89.02316	4.6
91.05435	1.4
95.01267	1.4
95.04939	1.0
96.95911	1.0
97.02859	1.0
97.06495	2.4
101.02308	7.3
109.06444	1.0
113.02344	4.9
115.05393	2.2
123.07994	1.2
125.09608	9.8
130.13443	0.8
133.10138	1.3
135.08092	1.3
146.96486	3.6
161.04477	2.4
185.11819	2.3
187.14879	5.5
191.10728	1.2
205.12292	1.4
209.11745	10.4
213.12793	6.4
231.13881	11.4
232.14188	2.0
233.11728	2.5
235.08107	3.3
249.14915	2.7
313.23761	1.7
339.23535	2.2
357.24518	1.4
365.21149	2.2
373.23569	1.1
383.22302	11.4
384.22430	1.7
398.82944	0.9
401.23276	12.1
402.23578	1.5
413.13098	1.0
419.24313	3.3
427.64645	1.1
616.74255	1.1
619.31207	100.0
620.31549	18.4
637.32288	18.0
637.83801	1.3
638.32861	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	637.372
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00970	0.7
63.53730	0.8
67.63095	0.9
71.17134	1.6
78.87770	0.9
78.95773	100.0
89.42932	0.9
91.77659	0.8
96.96838	7.4
127.11130	1.0
134.98393	1.7
146.26610	1.0
150.97871	1.0
152.99484	54.4
153.58037	0.8
153.99773	1.1
163.11125	0.9
171.00468	0.9
177.08229	0.8
201.11230	13.8
202.11627	0.9
209.11761	21.7
210.12186	1.2
227.12846	2.9
255.23262	76.6
256.23627	6.3
363.12146	4.1
381.13321	5.0
391.22516	16.4
392.22964	1.7
409.23563	7.0
410.23947	0.9
444.95224	1.0
516.79565	0.9
546.71606	0.9
553.50531	0.8
593.34521	3.6
605.15326	1.0
619.27985	0.7
619.36047	27.6
620.36542	5.6
637.37201	49.8
638.37555	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	636.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83923	1.1
58.02849	12.3
59.01252	1.4
61.98679	1.4
67.16162	1.2
70.02843	4.0
70.85087	1.8
70.85415	1.8
71.01221	1.3
72.00777	3.3
82.13642	1.1
85.02799	1.2
89.99799	1.1
91.05410	2.4
111.00756	1.3
128.03444	1.4
134.03635	1.2
143.44862	1.3
147.03340	1.3
147.04424	21.0
148.44328	1.2
150.03114	3.5
157.80365	1.2
161.02316	2.0
164.07076	45.9
165.05458	5.2
165.07387	1.5
166.05840	1.6
195.06421	2.2
206.08162	100.0
207.08405	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	637.2714
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01748	0.8
57.03321	3.4
57.32328	0.3
57.88655	0.3
58.00491	0.7
58.04779	0.3
59.01250	15.0
68.99678	0.7
69.03319	1.1
71.01254	19.9
71.07677	0.6
71.08018	0.7
72.99181	4.4
73.02818	5.4
73.97260	0.3
75.00745	23.1
83.01245	2.0
84.02036	0.6
85.02819	23.0
85.99981	0.3
87.00748	8.0
87.04379	0.6
89.02317	5.4
95.01275	2.0
97.02832	1.3
99.00755	7.6
101.02332	4.7
103.00253	0.4
103.03883	1.1
103.54665	0.3
111.00753	0.6
112.01536	0.5
113.02331	17.9
115.00246	2.0
115.03889	1.3
117.01816	1.3
119.03387	1.5
125.02332	1.5
129.01845	0.6
131.03392	3.1
143.03416	3.1
145.04982	0.8
157.01239	0.4
163.06001	0.8
173.04465	1.2
175.02365	1.9
205.07196	2.2
207.88011	0.3
335.28281	0.3
619.26343	0.4
637.27081	100.0
638.27386	13.7
638.38110	0.5
663.09216	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	636.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00241	0.3
51.40260	0.2
69.42661	0.2
71.49761	0.3
73.02815	4.8
75.00739	0.5
76.80310	0.2
96.46116	0.2
99.00761	0.6
99.92453	7.2
114.93255	0.3
116.92744	100.0
116.97137	0.8
117.01817	11.0
117.92744	5.3
214.57370	0.2
279.23340	0.4
398.92654	0.2
587.88232	0.3
645.72662	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	632.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.7
57.03324	0.8
59.01249	12.5
61.98693	2.4
66.44389	0.6
71.01254	9.4
71.49838	0.6
72.00388	0.6
72.99205	0.9
73.02816	2.6
74.02347	0.8
78.95769	0.6
83.01250	1.9
84.04410	1.2
85.02811	5.2
87.00741	1.4
89.02331	1.2
95.01284	1.2
96.95847	1.0
98.72411	0.5
99.00757	1.2
101.02323	6.8
102.05484	62.4
103.05842	1.4
104.15144	0.7
111.00754	1.4
112.49491	0.5
113.02339	3.4
116.92789	0.8
120.27451	0.7
122.32380	0.5
125.09560	0.9
128.03426	54.6
146.04489	35.9
146.05460	0.8
185.15344	0.9
205.94905	0.6
279.18521	0.6
503.32272	9.2
504.32788	0.7
513.30573	2.4
588.37360	1.4
614.35443	3.9
632.36511	100.0
633.36969	18.8
663.30603	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	634.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29852	0.2
59.01251	1.5
71.01247	0.4
73.02814	3.1
78.95782	0.8
94.97969	0.2
99.00774	0.7
99.92451	6.9
100.92430	0.4
116.92743	100.0
116.97126	4.0
117.01814	6.2
117.92747	5.8
141.01622	0.8
152.99464	0.3
174.48148	0.3
248.09094	0.3
277.21655	1.6
450.47879	0.3
457.35693	0.3
502.29184	0.4
577.17816	0.4
577.25787	1.2
584.74933	0.3
634.41956	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	634.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96036	0.2
54.08982	0.2
55.83611	0.2
59.01245	0.4
61.84468	0.2
61.98716	0.2
62.15855	0.2
73.02816	4.9
75.00742	0.7
78.95803	0.2
85.15360	0.2
85.88847	0.2
99.00726	0.8
99.92455	6.6
100.92468	0.2
108.99196	0.2
114.93313	0.2
116.92743	100.0
116.97083	1.2
117.01817	12.0
117.05416	0.2
117.92747	5.4
118.02197	0.3
152.99426	0.2
277.21686	0.3
361.56348	0.2
426.38763	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	635.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51274	5.8
59.53212	5.6
59.58717	5.9
69.93702	31.1
72.99192	7.5
76.14660	6.0
78.95780	14.3
85.02791	15.8
87.00739	54.7
91.69808	7.3
111.00764	84.9
115.00264	6.7
133.01323	17.7
173.00894	7.4
191.01880	100.0
364.90817	7.4
398.66702	7.4
442.98248	27.2
482.82690	9.3
488.00430	7.5
498.91019	10.2
543.14545	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	631.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06353	1.5
59.01255	10.7
61.98694	16.9
64.34692	1.7
69.03326	4.4
71.01250	7.3
71.49973	1.9
71.50385	1.7
73.02825	2.6
77.06191	1.6
78.95768	1.6
83.01252	1.6
83.04903	2.5
87.00780	1.6
89.02319	4.2
93.03342	5.5
96.95889	6.5
99.00715	2.1
101.02318	3.8
102.05495	2.7
109.02760	1.8
113.02342	2.8
114.73110	1.6
119.03401	3.9
121.02822	5.4
122.03627	17.4
123.00809	2.3
124.01485	2.1
128.03423	6.4
133.02783	2.4
134.03674	1.6
135.04398	1.9
137.02350	4.5
139.66336	1.5
142.13083	1.8
145.02841	2.6
145.06064	1.7
146.03561	1.8
147.04402	2.5
149.02336	19.8
150.03131	100.0
151.00273	14.6
151.03525	4.9
153.05492	2.2
156.03497	1.6
161.02359	1.8
164.04677	5.2
165.01868	11.0
165.05484	94.2
166.02628	33.5
166.05795	4.4
167.03268	3.2
167.04655	1.8
174.03160	4.5
175.03938	11.0
175.78000	1.9
179.03418	3.0
179.07063	4.0
180.04153	14.1
181.04985	99.3
182.05309	5.3
185.00845	3.4
188.04694	4.4
189.05501	3.9
190.06244	10.2
193.05042	4.3
195.06546	75.0
196.06874	4.4
203.06979	3.4
205.08635	14.8
208.07352	3.4
210.05269	2.5
223.09691	13.2
225.07599	9.5
272.08774	1.5
297.04138	2.0
312.06241	2.7
327.08673	9.7
341.10382	3.3
342.11017	9.9
357.13458	17.0
358.13571	2.3
375.14529	6.3
405.15363	14.2
406.15363	2.3
417.15500	3.7
434.59241	1.8
494.53729	1.7
517.94159	1.9
550.11218	1.9
601.22894	2.1
631.32458	9.7
632.31433	1.9
638.83099	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	635.1618
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
59.01246	1.7
61.98701	5.3
68.02413	0.4
69.03334	1.3
71.49044	0.4
71.49402	0.5
73.02819	0.6
77.37773	0.3
83.01265	0.7
85.01669	0.3
85.02827	1.1
87.00774	0.4
89.02332	0.5
93.03332	0.7
96.95879	0.9
97.02823	0.4
97.63883	0.4
99.00758	0.5
101.02322	1.0
101.14517	0.4
107.01267	1.4
113.02360	0.7
115.00298	0.5
132.02087	1.4
135.00754	1.1
135.04376	0.6
137.02258	0.5
145.02779	0.4
149.02316	0.5
150.03148	0.3
150.05524	0.5
151.00264	2.5
161.02348	1.8
163.00288	0.7
164.01062	1.1
178.99762	1.5
179.03389	0.4
180.06602	0.6
183.04424	1.5
185.00848	1.3
185.02420	0.8
187.03845	0.5
191.03958	0.7
191.05563	6.1
199.03935	0.5
205.12177	0.4
211.03925	1.5
223.48370	0.4
227.03452	38.2
228.03882	2.4
229.05063	0.9
239.03514	1.2
255.02971	68.0
256.03513	8.4
257.04416	1.6
283.02451	1.2
284.03259	100.0
285.03824	16.1
286.04349	0.7
305.06384	0.4
327.04968	0.8
424.18683	0.7
443.10147	0.5
448.04749	0.4
455.19159	0.8
471.09396	1.7
489.10880	0.5
521.23871	0.6
531.67572	0.4
543.89154	0.5
556.89795	0.5
575.14398	0.5
635.16187	65.1
636.16547	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	631.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83451	1.1
59.01236	5.2
61.83873	1.1
61.98714	7.9
62.67374	1.2
69.03312	4.7
71.01231	3.8
71.49117	1.5
71.49521	1.8
74.34232	1.2
81.91824	1.2
87.00759	2.1
87.54283	1.3
93.03322	2.6
96.95864	6.4
97.02818	2.0
99.00786	1.4
101.02319	3.8
103.45161	1.3
113.02323	1.9
114.30515	1.2
121.02803	6.8
122.03632	15.8
123.00765	1.6
124.01527	1.2
128.03458	2.2
133.02850	2.0
135.04370	1.5
136.01541	2.9
137.02328	1.9
139.03867	1.6
145.02846	1.3
147.04419	2.7
149.02353	20.3
150.03133	99.0
151.00278	12.9
151.03491	4.6
153.05441	1.6
161.02351	1.9
164.04660	3.6
165.01849	8.3
165.05481	98.1
166.02635	33.3
166.05775	5.8
169.17203	1.4
173.02351	2.7
174.03119	2.5
175.03909	10.1
179.03267	1.6
179.07022	2.1
180.04182	11.6
181.04993	100.0
182.05280	5.1
185.00845	2.0
188.04707	1.9
189.05479	4.1
190.06287	8.6
193.04962	3.6
195.06557	69.2
196.06902	2.8
203.07028	2.1
205.08632	12.3
206.09085	1.4
207.06592	1.4
208.07298	3.6
223.09738	12.4
225.07684	5.8
225.09785	1.3
278.81876	1.4
297.03943	2.3
312.06345	3.6
324.71246	1.4
326.07797	1.8
327.08807	6.2
341.10294	1.3
342.10999	9.8
343.11261	1.9
357.13477	14.4
375.14325	5.5
405.15585	11.5
406.15927	1.8
417.15469	2.3
469.20697	2.3
601.22699	2.1
631.23413	2.5
631.32751	2.4
640.12054	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	629.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43551	2.0
55.27539	2.1
59.01239	20.3
59.44307	2.0
61.98690	9.3
69.28893	18.0
71.01266	4.5
77.01994	2.1
77.90055	2.1
78.95773	4.6
89.02330	3.2
96.95877	3.0
98.20570	4.8
101.02319	2.7
110.05989	6.1
120.04401	3.7
121.05238	3.0
122.06008	21.8
134.06009	6.1
143.59782	2.1
144.04422	3.9
144.60298	2.1
151.07602	2.5
160.06340	7.2
162.05516	3.0
163.21396	2.4
174.05507	8.3
203.05818	2.9
213.10300	45.2
225.10298	5.1
226.11081	4.2
239.11876	21.3
241.13397	25.1
251.11867	3.5
277.09744	3.0
283.10791	5.0
285.12445	100.0
286.12683	8.5
293.12878	5.4
301.11761	3.2
311.10403	2.5
317.91583	2.8
328.10703	3.2
330.16110	2.5
343.13022	7.3
353.18542	2.5
354.12134	2.9
354.16058	3.1
356.14023	10.4
357.14536	2.2
369.14603	4.7
370.15585	19.0
371.15945	4.0
372.17139	6.1
382.11765	2.8
384.13287	4.0
397.14130	3.8
398.15100	16.0
403.15399	5.0
412.16620	13.2
413.17365	8.1
481.22226	3.2
485.25281	3.5
493.22321	7.7
511.23734	13.2
512.23755	3.7
523.23041	5.4
535.23615	26.3
536.23553	4.7
548.70935	2.2
553.24573	74.4
554.24646	12.4
556.23187	4.3
579.22314	10.5
580.22760	3.1
585.27283	3.6
597.23572	81.1
598.23956	12.8
611.25690	2.3
629.26257	30.6
629.37634	6.7
630.26648	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	630.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	4.6
59.01242	1.2
61.98693	1.3
66.03358	0.6
70.02853	0.5
71.01244	0.6
71.50471	0.5
72.00779	1.0
74.02345	11.1
78.95768	0.3
81.04465	0.5
81.54364	0.3
82.02865	1.6
84.04453	0.4
85.02806	0.4
85.03937	0.4
86.02348	4.1
86.05969	0.6
86.98981	0.9
87.05503	2.6
88.03905	1.3
90.00065	1.1
96.04412	0.3
96.95883	1.5
97.03959	1.3
99.05515	10.2
101.07083	1.1
102.05488	1.4
107.06030	0.7
109.03960	1.5
111.05511	1.0
112.03913	1.3
113.03442	0.6
116.01656	0.8
117.85361	0.3
119.60241	0.3
121.03860	0.4
123.05510	1.5
124.03902	0.7
125.03411	0.9
127.05016	1.3
128.03429	28.3
129.03767	0.8
129.04739	0.3
131.04543	1.1
135.05533	3.1
137.07190	0.4
139.05008	0.3
141.06615	2.4
143.04526	38.7
144.04848	1.2
145.06068	2.0
146.04500	3.4
146.18440	0.4
151.00233	0.4
153.06618	2.7
155.08116	0.8
160.00652	10.7
164.08160	0.4
166.09795	1.1
167.04549	3.2
167.08197	1.0
174.03029	0.3
177.03293	3.5
179.04527	7.1
181.06105	1.1
184.10880	0.5
185.05635	1.1
190.31796	0.3
192.07733	0.7
197.05661	1.5
198.08717	0.8
210.08789	7.6
211.09009	0.4
225.04265	0.6
228.09805	0.4
231.04277	0.4
242.07797	1.5
254.05168	0.5
254.07823	9.0
255.08072	1.0
272.08881	15.3
273.09134	0.7
288.06589	6.2
301.03513	2.2
306.07648	100.0
307.07959	5.6
383.18292	0.4
586.30469	1.0
631.16333	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	631.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.7
61.98711	0.8
66.56732	0.4
69.03342	0.5
69.17647	2.1
69.18076	2.3
71.01261	1.5
79.95600	0.5
80.90525	0.5
83.01221	0.4
83.04909	0.5
85.02821	0.5
85.73491	0.4
89.02343	0.6
93.03320	3.3
93.68152	0.5
95.01261	0.7
96.95887	16.0
99.72482	0.4
101.02321	1.2
101.81810	0.5
109.02837	1.1
111.00766	0.6
113.02311	1.1
119.03432	0.5
121.02838	5.9
122.03636	11.3
123.00793	1.8
123.04422	1.2
124.01535	1.3
127.05001	1.0
128.03391	0.7
130.08574	0.5
131.04839	0.5
133.02835	1.6
134.03622	1.2
135.04428	2.7
136.01573	1.8
137.02325	4.0
138.03122	0.5
139.00317	0.5
139.03883	1.4
145.02844	1.5
145.06090	1.5
146.03632	7.5
147.04424	5.5
149.02342	20.1
149.05988	0.8
150.03125	77.3
151.00272	17.2
151.03473	3.7
152.00995	0.7
153.01831	0.5
153.05466	1.0
160.05182	0.4
161.02338	1.3
161.05981	2.0
163.03969	2.7
164.01021	0.9
164.04703	8.2
165.01837	13.2
165.05476	66.7
166.02623	39.8
166.05644	2.3
167.03038	2.0
173.02351	1.7
173.05968	0.7
174.03104	2.5
175.03918	22.3
176.04581	2.1
177.01750	0.6
177.05429	1.9
178.06258	1.0
179.03381	5.7
179.07048	9.2
180.04199	12.1
180.07338	0.6
181.04976	100.0
182.05304	4.9
188.04764	2.0
189.05453	3.6
190.06276	19.2
191.06979	2.1
192.04175	0.9
193.04968	6.5
193.08641	0.7
194.05731	3.0
195.06549	54.0
196.06870	2.4
203.06956	1.1
205.08624	22.3
206.08995	1.3
207.06517	2.2
208.07375	6.7
209.08124	2.0
210.05180	1.3
223.09702	14.9
223.11868	0.8
225.07637	10.0
227.03398	0.6
235.09746	1.3
239.03304	0.5
241.04973	0.8
245.15414	0.7
255.02785	0.7
266.05737	0.6
269.04578	1.0
270.05133	0.5
282.05270	1.9
283.06067	1.2
284.03311	1.1
285.03976	1.4
289.14508	1.1
297.03967	2.9
297.07275	0.9
312.06467	3.1
313.06616	0.7
314.07938	1.1
315.08557	3.1
327.08707	7.8
328.09070	0.8
329.10211	7.0
330.10684	1.2
342.06955	0.5
342.11057	10.7
343.11469	1.5
357.13416	16.2
358.13773	1.6
359.11267	0.6
373.12720	1.2
375.14429	5.4
377.12283	1.3
387.14825	0.8
403.13986	3.4
405.10510	0.8
405.15533	13.4
406.15784	0.9
417.15555	2.8
435.16364	2.3
435.25897	0.5
451.16238	1.5
469.20450	1.0
489.10159	1.3
507.53470	0.5
523.19836	0.6
553.20770	24.5
554.21033	3.4
583.21765	1.9
584.21680	0.5
587.32660	0.5
601.22797	2.0
602.23615	0.5
630.32275	1.6
631.23547	4.9
631.33008	4.4
632.24017	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	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08583	0.2
55.93917	0.1
59.01237	0.2
59.35387	0.2
63.02272	0.9
65.00195	2.2
68.27106	0.2
71.01252	0.3
71.49960	0.3
73.84981	0.2
74.57808	0.1
83.01257	1.3
93.03336	0.7
95.01231	0.2
95.93599	0.1
96.95890	0.3
107.01279	3.5
108.02076	0.2
109.02840	1.6
121.02833	2.1
125.02338	0.5
133.02835	0.2
135.00789	0.2
136.01530	0.2
137.02299	0.4
139.03888	0.5
141.07462	0.1
148.01559	0.4
148.03828	0.2
149.02354	0.7
151.00278	10.2
152.00610	0.3
159.04436	0.4
161.02367	0.4
163.00285	0.7
163.04013	0.2
164.01030	0.4
165.01840	0.2
167.04889	0.2
169.01331	0.7
173.05957	0.3
174.03099	0.2
175.00238	0.3
175.03923	0.4
178.99796	2.3
183.04381	0.3
185.06006	0.2
187.03957	0.5
189.01987	0.3
191.05518	0.5
192.00575	0.2
199.03804	0.2
201.05502	0.7
203.03398	0.4
211.03946	0.6
213.01883	0.4
216.04282	0.2
225.34801	0.2
227.03386	0.8
227.12878	0.5
228.04126	0.3
229.01395	0.2
229.04939	0.4
239.03752	0.2
243.03067	0.3
245.04474	0.5
255.02971	1.3
256.03723	0.5
271.02383	1.0
272.03009	0.3
283.02490	0.2
299.01968	0.3
300.02728	2.6
301.03516	100.0
302.03860	8.5
313.03552	0.3
342.22205	0.2
343.04501	0.4
520.56982	0.2
537.63910	0.2
625.14075	24.2
626.14343	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	627.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.1
61.98701	0.5
70.00629	0.1
71.01254	1.3
71.49706	0.2
73.02816	0.6
78.95761	0.2
79.95609	3.1
83.01259	0.3
84.04377	0.2
85.02827	0.5
87.80959	0.1
89.02330	0.4
95.95108	0.4
96.95887	100.0
97.95805	0.3
99.00748	0.2
101.02311	1.1
103.00236	0.3
113.02345	0.5
122.05994	0.2
127.04975	0.2
128.03419	0.3
152.99509	0.2
161.04553	0.2
162.02159	0.2
178.45612	0.2
195.97523	0.2
202.62692	0.2
213.94690	0.1
357.58618	0.2
361.20609	0.4
379.21384	0.2
420.23813	0.4
421.22586	0.3
443.30099	0.2
503.82141	0.2
541.26874	14.4
542.27338	2.3
583.27911	24.1
584.28265	4.0
609.25983	1.7
610.26361	0.4
627.26807	8.3
627.36554	0.7
628.27002	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	627.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58965	0.1
54.09103	0.1
57.54020	0.1
59.01249	3.5
61.98691	0.4
70.97890	0.4
71.01245	1.5
71.38602	0.1
72.99166	0.2
73.02802	0.8
78.95762	0.2
79.95602	3.4
83.01261	0.4
85.02808	0.5
89.02308	0.4
94.04740	0.2
95.95127	0.3
96.95884	100.0
97.95828	0.3
99.00784	0.2
101.02335	0.9
102.05454	0.2
103.00240	0.4
103.97237	0.2
113.02335	0.5
122.06007	0.2
128.03401	0.4
138.76787	0.2
143.43925	0.2
152.07065	0.2
161.04524	0.2
177.77017	0.2
192.93625	0.1
193.03828	0.1
199.19141	0.2
224.03050	0.1
260.10873	0.1
285.12555	0.3
291.19843	0.2
291.49155	0.2
361.20456	0.6
379.21872	0.2
420.23938	0.4
421.22650	0.2
426.63412	0.2
443.29849	0.2
523.26117	0.2
541.26843	15.3
542.27118	1.9
559.44940	0.2
583.27875	23.8
584.28143	3.9
609.25964	2.0
610.26587	0.3
627.26801	8.9
627.36316	0.7
628.27161	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	624.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54936	0.5
56.89161	0.6
59.01249	4.8
61.98702	100.0
71.01266	1.9
71.49630	0.8
73.02781	0.6
73.42313	0.5
78.70808	0.6
78.95763	0.7
87.00740	0.6
89.02348	1.1
95.01231	0.7
96.95908	2.4
97.39531	0.6
108.02019	1.2
109.02874	0.8
113.02325	0.6
123.04372	0.7
133.06496	11.7
137.02338	0.7
138.03117	14.9
153.05476	35.6
154.05806	1.5
177.01707	0.8
191.03577	0.7
192.04298	1.2
207.06558	7.1
209.11861	0.8
224.03268	2.5
285.03943	0.6
313.10818	32.5
314.11099	2.8
323.11237	0.7
347.26105	0.5
460.17938	1.0
461.18152	2.6
517.17181	8.9
518.17719	1.6
624.24451	1.5
625.26520	1.9
628.80017	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	623.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04628	0.5
59.01258	1.1
61.98690	2.3
66.78709	0.5
71.29382	0.5
71.29712	0.7
81.95111	0.5
93.03363	0.6
96.95897	0.5
109.02821	1.3
119.04913	0.5
121.02847	6.6
123.04407	0.8
135.04419	1.1
140.35732	0.5
148.03918	1.8
149.04707	1.8
159.04420	2.6
160.05261	0.6
162.05482	1.0
174.03131	0.7
174.06714	0.5
181.71774	0.5
185.05956	0.6
188.04739	0.5
189.05545	0.8
195.04485	0.5
195.08110	0.8
196.05252	0.6
197.05962	1.1
201.04353	0.5
202.05315	0.4
207.04387	0.5
209.06091	1.0
211.03867	0.6
211.07529	3.1
211.30988	0.5
218.04581	0.5
221.06076	2.4
222.06898	0.5
223.07597	1.9
224.04677	1.0
235.07645	0.6
236.04697	0.8
237.05492	3.0
238.06470	0.8
239.07115	9.5
240.04427	0.6
240.07420	0.6
248.04742	0.8
249.05495	4.3
250.06195	1.1
251.03493	2.9
251.07175	0.8
253.08759	1.1
263.07150	1.4
264.04120	0.7
265.04987	2.9
266.05737	2.4
267.06616	35.9
268.07248	6.9
269.07864	1.0
270.11456	2.7
279.06744	2.2
280.07422	2.8
281.08221	9.6
282.08972	38.0
283.09665	16.9
284.10159	1.1
293.04559	4.3
294.05301	1.3
294.08090	0.7
295.06195	0.9
295.09634	2.0
296.10535	14.6
297.11304	57.6
298.11673	4.1
307.05981	0.7
308.06909	1.9
309.07404	0.7
310.07428	2.3
310.10919	0.5
311.07980	1.4
322.03452	0.5
322.07529	0.7
323.08279	1.9
324.08813	1.6
325.09677	1.3
326.10254	2.5
338.10263	3.5
339.10815	0.8
352.08304	0.8
352.11853	3.3
364.08398	0.6
374.13986	0.5
402.13461	1.8
412.11902	1.1
430.12924	38.4
431.13293	5.2
444.14175	0.7
445.15320	19.9
446.15845	3.4
460.17642	100.0
461.18008	14.6
486.15518	6.3
487.15594	1.0
623.23956	48.7
624.24365	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	41.0
60.01572	1.2
69.18269	1.0
69.18594	11.1
71.01254	21.1
73.02821	7.4
83.01263	3.6
85.02813	9.3
87.00768	2.1
89.02324	7.0
94.56468	1.1
95.01272	2.2
97.06462	1.3
99.00763	1.9
101.02318	11.9
113.02319	11.3
119.03404	2.9
125.02297	1.7
139.07523	1.2
140.98589	1.1
143.03375	1.9
146.07556	0.9
152.00975	0.9
153.01877	1.1
153.09181	1.3
159.02838	2.0
161.04503	2.0
171.13840	1.7
173.04483	1.5
180.06026	1.1
218.08041	1.0
277.21722	1.5
285.06534	1.2
295.22675	1.1
357.26492	2.6
371.74292	1.0
375.27502	5.7
501.31088	1.6
504.60120	1.3
519.31744	100.0
520.32281	12.9
537.32642	10.2
579.33661	1.1
624.30457	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	623.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.5
57.03315	2.5
59.01252	69.9
61.98700	4.2
69.03324	2.5
71.00854	2.1
71.01256	35.1
71.50171	2.6
72.99171	2.8
73.02831	14.1
74.71394	1.6
75.00732	1.7
81.77094	1.6
83.01258	6.5
85.02826	13.9
87.00761	3.0
87.04379	1.8
89.02315	12.0
95.01270	2.8
96.95863	3.9
97.02895	1.6
99.00777	3.3
101.02312	18.0
111.00754	1.7
113.02336	15.8
119.03384	5.8
121.84440	1.6
125.02325	1.9
128.03429	1.8
128.80699	1.6
135.04361	2.0
137.09657	3.7
143.03407	2.2
143.10611	1.9
145.06055	2.4
161.04446	6.3
175.03915	2.6
181.05000	2.1
193.05106	1.6
201.14978	3.6
204.04192	3.8
207.10089	2.5
217.14314	2.0
219.06596	5.4
225.11235	6.7
253.09227	1.6
279.10278	1.5
316.78021	1.6
357.26520	4.2
363.20026	2.1
375.27194	4.2
382.93286	1.7
401.16037	6.6
519.31757	100.0
520.32355	12.0
537.32788	18.4
576.26312	1.8
579.33765	6.2
617.97626	1.9
623.25134	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	623.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90705	0.5
57.03337	0.5
59.01245	3.7
61.98704	2.8
67.82438	0.6
70.44776	0.5
71.01279	2.0
77.02533	0.6
78.95802	0.9
85.02852	0.6
89.02308	1.2
96.95871	1.0
99.04429	1.2
101.02405	0.7
107.77689	0.6
108.02084	0.7
109.02897	1.4
113.02296	0.6
116.92748	2.8
119.03374	0.7
121.02819	5.1
135.04459	0.6
136.07689	0.5
136.17226	0.5
138.76909	0.5
145.02888	1.0
148.03934	1.2
149.04791	1.0
159.04474	1.9
173.02406	0.6
181.03755	0.7
189.01994	0.6
189.05507	0.9
193.06651	0.8
195.04483	0.9
196.05292	0.9
197.06018	0.8
209.06049	1.0
211.07521	3.5
221.06102	2.3
223.07645	1.8
224.04890	1.6
235.13387	1.1
237.05603	2.4
238.06345	1.1
239.07072	8.4
240.07629	0.8
248.04836	1.0
249.05518	2.9
250.06288	0.8
251.03510	2.7
251.07137	1.4
257.04938	0.5
263.07028	1.0
265.05093	2.1
266.05875	2.2
267.06604	33.2
268.07190	7.0
269.08026	1.0
270.11325	2.7
279.06738	2.1
280.07355	2.3
281.08185	8.5
282.08987	30.0
283.09677	11.8
284.10150	1.3
293.04474	3.2
294.05084	1.1
294.08084	0.6
295.09912	1.7
296.10532	13.6
297.11295	54.0
298.11591	5.0
308.06793	1.1
309.07394	0.8
310.07227	1.8
322.07257	1.5
323.08545	1.7
324.08871	1.7
326.10397	2.2
338.10355	3.4
339.10803	0.8
352.08145	1.1
352.12042	2.4
402.13443	1.3
430.12900	30.3
431.13293	3.8
443.28177	1.2
444.14371	1.2
445.15286	12.6
446.15784	3.0
460.17627	100.0
461.17932	13.9
465.24332	0.6
486.15460	5.3
487.16013	1.1
509.29367	0.8
605.24365	0.5
623.23871	39.6
623.32678	1.6
624.24182	7.6
624.33551	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	623.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91979	0.4
59.01254	3.3
61.98706	2.4
65.00239	0.5
65.36030	0.4
71.01288	1.7
71.49501	0.4
71.49873	0.5
75.77966	0.4
85.02852	0.7
89.02317	0.7
91.01819	0.5
96.95912	1.2
99.04399	0.5
101.02380	0.7
108.02060	5.0
109.02837	10.3
109.03498	0.7
113.02349	0.6
119.04956	1.0
123.04462	1.7
123.05310	0.4
134.03677	0.4
135.04413	0.4
136.07544	0.7
145.02838	0.4
146.03639	1.2
148.04027	0.6
158.03621	3.8
159.04424	12.0
160.04805	0.6
161.02336	0.9
162.05548	1.0
164.07127	1.6
171.04468	0.6
172.05286	0.5
173.05988	4.8
173.53256	0.4
186.05551	0.8
201.04256	0.6
202.05022	4.4
211.07555	0.7
214.05029	21.7
215.05536	1.8
216.06596	3.3
224.04648	0.7
225.05489	0.8
227.61751	0.4
235.13364	0.6
237.05473	2.2
238.06290	2.4
239.07173	3.1
240.04271	2.5
241.05148	1.2
249.05563	2.9
250.06303	2.3
251.03438	0.8
251.07199	2.0
252.04234	0.6
252.07916	1.2
253.05023	1.1
253.08632	0.9
254.05833	0.4
255.06708	1.5
263.07129	1.0
264.07935	1.9
265.05099	4.5
265.08530	0.8
266.05804	8.6
266.08405	0.8
267.06601	22.7
268.07303	9.1
269.04617	1.1
269.07791	1.1
279.06735	1.3
280.07486	3.3
281.08191	16.6
282.08936	14.0
283.06332	1.6
283.09698	20.7
284.10120	1.5
293.04504	0.7
294.08087	0.8
295.09821	2.7
296.10611	2.2
297.11325	4.5
298.08560	0.7
298.11597	0.6
306.07651	1.2
307.12344	0.5
308.06241	0.5
309.06583	0.5
310.07285	1.9
311.07916	1.0
318.07739	0.7
320.05695	1.0
320.09180	0.5
321.06491	1.9
321.09891	1.0
322.07211	12.9
322.10892	10.7
323.07614	1.8
323.11310	1.3
324.08786	1.2
325.09467	0.5
326.10336	3.5
335.11526	1.4
336.08719	5.2
336.12463	15.4
337.09308	1.2
337.12830	1.6
338.10349	1.3
350.14096	2.1
389.99271	0.4
400.11673	0.8
401.12518	0.6
402.13495	0.6
413.12766	0.5
415.14493	0.5
428.11432	2.0
428.15909	0.8
429.11975	5.3
430.12775	6.1
433.26639	0.4
442.12952	1.2
443.13730	6.6
444.14478	32.5
445.15121	12.5
446.15784	2.7
458.16098	9.6
459.16452	1.7
460.17657	68.6
461.17996	11.3
499.19174	2.0
623.23938	100.0
624.24255	23.9
624.34528	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	622.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02837	7.9
59.01251	2.1
60.67772	2.6
65.29716	2.0
66.44510	2.4
69.69158	15.1
70.02829	6.2
85.02802	2.0
87.80805	2.2
91.05425	3.0
96.02525	2.2
98.19862	2.3
99.00735	2.2
121.02822	6.4
147.04431	18.0
148.04906	2.0
162.06482	2.6
164.07079	46.1
175.24606	2.3
185.13998	2.1
188.93832	2.2
206.08160	100.0
207.08380	6.1
249.06087	3.4
283.35095	2.4
298.79465	2.4
371.09879	18.4
428.90460	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	623.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.2
59.01000	1.2
59.01252	15.9
61.98693	1.9
69.15987	12.0
71.01253	10.8
73.02816	2.5
74.02346	1.7
75.00729	1.6
75.81835	1.1
81.75713	1.0
83.01258	2.5
85.02831	4.8
87.00739	1.2
89.02299	2.9
93.03326	1.3
95.01234	1.6
96.95863	1.9
97.02788	1.0
98.20586	2.4
101.02317	5.1
108.02033	3.8
109.02820	3.2
111.00758	1.4
113.02327	3.8
119.04888	1.2
121.02834	3.3
123.00761	2.2
123.04419	1.3
125.02307	1.4
127.05009	2.5
128.03433	2.5
136.01552	48.7
137.02393	6.6
145.06104	1.6
147.04399	1.4
151.00291	13.2
151.03914	55.5
152.00987	2.1
152.04286	1.6
153.01778	1.6
159.04427	2.7
160.01584	1.4
160.05199	1.3
161.02228	1.6
161.04491	1.3
162.03136	1.6
163.03886	2.6
164.04649	1.1
166.02626	34.7
167.03209	3.1
175.03914	5.7
175.07550	1.0
176.04686	1.8
177.01826	2.2
179.03346	1.9
181.04980	44.2
182.05264	1.6
187.03943	1.1
189.05484	3.7
190.06224	5.0
191.03400	5.3
205.04953	3.5
205.08676	2.4
206.05775	4.1
219.06627	2.0
221.04478	1.7
221.08121	5.4
285.03976	4.6
285.06985	1.4
297.07516	1.1
309.07477	1.0
329.10306	2.6
339.08569	1.5
342.10986	2.7
357.09695	14.9
357.13501	9.3
358.10095	3.0
369.00775	1.3
369.13397	16.6
370.13693	1.3
372.12164	10.8
373.12421	1.5
387.14484	100.0
388.14795	11.0
460.17523	3.3
461.18155	2.4
519.31677	6.3
537.32813	2.4
593.22253	9.1
605.22473	5.6
606.22327	1.6
622.36292	5.2
623.23352	34.5
623.36273	4.3
624.23138	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	621.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54514	2.8
57.03311	4.3
59.00962	5.9
59.01247	100.0
70.64959	3.0
70.65298	6.6
71.01244	40.1
72.99181	5.7
73.02808	8.4
75.71143	2.5
82.24747	2.5
85.02805	9.3
87.00739	4.8
87.05479	2.8
89.02315	31.7
94.83713	2.7
96.95872	3.4
101.02296	16.8
108.14555	2.9
113.02335	22.9
116.92572	2.8
119.03387	8.8
132.04404	4.1
133.02817	3.8
145.02763	3.4
148.03995	3.5
150.05528	3.1
161.02318	9.6
161.04442	4.5
179.05415	3.2
194.04462	2.9
238.46005	2.7
251.12878	3.7
253.14624	2.8
279.11081	3.0
297.13300	9.9
303.14346	3.4
323.07654	4.3
517.26428	40.1
535.27563	25.4
545.17706	9.8
621.28943	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	621.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49465	0.4
52.77615	0.4
52.99154	0.4
55.01755	0.8
57.03319	1.4
58.00466	1.2
59.01249	34.3
61.98683	1.8
64.22803	0.4
68.99690	0.6
69.03312	4.6
71.01252	23.0
71.04885	0.8
71.49281	0.5
71.49639	0.8
72.01619	0.6
72.99172	1.6
73.02820	4.3
75.00748	1.0
78.95764	1.4
79.18568	0.4
81.03314	0.7
82.35997	0.4
83.01253	2.8
83.04896	0.5
84.05425	0.4
85.02817	5.2
87.00755	4.6
89.02312	24.3
90.02666	0.6
93.03343	0.6
94.25233	0.5
95.01259	2.1
95.04910	0.5
96.95882	7.5
96.96840	1.9
97.02834	3.9
98.47523	0.5
99.00751	2.2
101.02318	19.1
102.02671	0.5
103.00252	0.5
109.02842	0.6
109.06438	0.7
111.00752	0.8
111.04358	0.6
113.02327	10.4
119.03378	8.0
121.02948	0.4
125.02341	6.9
125.09622	0.5
128.03351	0.6
131.03391	1.1
133.04932	1.1
134.03525	0.5
139.03891	0.5
141.01828	0.6
143.03406	3.6
149.04445	1.2
149.09616	0.9
161.02441	0.7
161.04462	4.1
167.10681	3.4
177.12717	0.6
179.05530	4.2
179.10692	1.7
179.14328	4.6
195.13823	11.9
196.14183	0.8
205.12267	10.7
221.06679	1.4
223.13338	100.0
224.13692	7.0
235.08163	6.4
244.43594	0.6
253.09230	1.9
263.07727	1.5
277.09229	0.9
287.07703	1.3
305.08759	1.5
323.09933	1.1
373.25967	1.0
379.12402	0.8
397.13474	55.5
398.13922	5.1
415.14526	27.9
416.14844	2.8
501.30798	1.7
517.30365	1.3
519.30878	0.7
577.32111	3.5
621.27228	7.9
622.28082	1.3
640.47308	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	621.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81380	0.4
58.88618	0.5
59.01251	9.0
61.98702	0.7
71.01253	3.1
72.88892	0.4
73.02801	0.5
81.03324	0.6
83.01273	0.5
85.02827	1.0
87.00758	0.5
89.02317	1.2
96.95890	0.6
98.20578	0.9
101.02328	1.4
109.02821	2.1
113.02338	1.6
121.02868	1.1
123.00770	1.8
123.04455	0.7
125.02344	1.1
132.28076	0.4
133.02843	1.3
137.02341	8.6
139.00299	0.5
139.03954	0.5
149.02357	1.5
151.00275	15.2
151.03902	1.8
152.00995	1.1
152.04688	2.0
153.05496	0.5
160.01535	0.5
161.02322	2.5
163.03801	0.5
164.04695	1.0
165.01826	1.1
166.02628	57.3
167.03178	3.5
175.04005	1.0
177.01903	2.7
177.05327	0.5
178.02419	0.7
179.03488	0.7
179.07028	0.8
181.04985	73.8
182.05334	3.9
184.03754	1.2
189.05524	0.6
190.02698	0.4
190.06313	1.7
191.03409	1.3
192.04262	2.0
193.05019	1.1
193.56590	0.4
195.02861	0.8
205.05055	1.4
205.08641	1.0
206.05821	0.7
207.06572	1.3
223.06056	0.5
260.12888	0.4
357.09784	0.6
359.11365	1.7
363.20132	0.6
371.15179	1.0
387.10818	14.3
387.15622	1.0
388.11310	1.8
402.13220	7.8
403.13785	0.7
417.15527	100.0
418.15848	13.1
517.30212	1.0
561.19714	2.2
621.33716	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	617.3179
Annotation	Guangomide A
Peak:m/z	Relative Intensity
55.01752	1.4
58.00470	1.6
59.01250	24.1
61.98698	1.3
69.76514	5.8
71.01252	29.4
72.93561	1.0
72.99162	2.1
73.02818	5.3
83.01249	1.8
85.02820	9.5
87.00737	4.3
89.02313	15.7
95.01271	1.9
99.00742	2.0
101.02319	15.8
103.86695	1.0
113.02335	11.0
119.03367	4.5
124.45145	0.9
125.02321	1.6
128.41336	1.1
131.03380	3.8
132.15656	1.1
161.04454	5.9
171.10136	3.2
179.05515	2.4
209.11757	2.4
221.06555	4.5
227.12907	1.4
275.20206	4.0
293.21042	5.5
297.04984	1.1
298.53006	1.1
368.93716	1.0
453.24072	1.3
455.26602	8.7
599.30219	1.3
617.31720	100.0
618.32086	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50505	0.7
57.03332	0.9
59.01253	21.1
69.03317	1.2
69.28374	0.7
71.01255	12.8
71.49378	0.7
72.99153	0.9
73.02815	12.4
78.95745	0.8
83.01260	3.7
85.02818	2.0
87.00739	2.0
89.02319	4.8
96.95868	1.8
101.02325	12.3
104.04962	3.5
106.06529	2.5
106.31187	0.8
108.04443	3.5
113.02316	3.5
119.03372	1.5
122.06015	0.7
128.03362	1.0
132.04449	36.1
133.04771	1.5
134.06009	24.9
135.04431	0.8
135.06339	1.5
144.04428	1.3
148.03925	2.3
150.05511	1.2
152.07066	2.8
157.04955	0.9
158.02367	1.2
158.06006	4.4
160.03920	1.7
161.02321	1.8
176.03461	8.9
177.03966	0.8
178.54483	0.7
180.38718	0.8
188.03433	2.5
190.05055	6.7
191.05470	1.2
236.41307	0.7
251.11905	4.1
255.11279	2.2
279.11377	18.3
280.11731	1.7
295.10828	3.0
296.11401	4.2
297.13510	3.4
314.12482	3.1
323.10504	8.6
337.11948	1.4
347.61713	0.7
423.62982	0.8
441.17285	0.8
456.55692	0.9
459.17587	2.0
477.18573	4.2
501.18854	17.0
502.19382	2.7
517.18542	3.5
535.19879	0.8
545.17755	100.0
546.18103	15.4
559.19189	7.6
559.26605	0.8
560.19836	1.3
577.20355	23.5
578.20667	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	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60035	0.7
59.01250	8.2
62.16652	0.7
69.03304	0.9
71.01250	3.2
72.99180	0.9
73.02811	1.0
83.01260	1.1
85.02836	1.5
89.02312	1.2
95.01276	1.0
96.95872	1.0
101.02322	2.2
109.02843	2.4
113.02332	2.2
119.03406	1.0
123.00768	2.2
124.01537	1.0
125.02364	1.0
133.02867	1.3
137.02344	9.6
149.02383	2.1
151.00262	21.1
151.03905	1.3
152.01022	2.1
152.04698	1.4
159.97545	0.8
161.02368	1.2
161.77127	0.8
165.01778	1.0
166.02625	60.2
167.03105	3.4
175.03909	2.1
177.01859	3.1
179.03375	0.9
179.07039	0.9
181.04980	79.0
182.05356	3.6
190.06305	1.0
191.03535	1.3
192.04333	1.0
193.05029	1.8
194.44485	0.8
205.05035	1.5
205.08522	1.1
207.06494	1.1
209.04536	0.8
219.06561	0.9
223.13597	0.7
229.69936	0.8
359.11664	1.4
371.14908	1.3
387.10901	14.8
388.11249	1.5
402.13181	7.2
403.13492	1.0
417.15521	100.0
418.15887	13.4
489.04425	0.8
506.75809	1.1
517.30267	3.5
534.85272	0.8
535.31183	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	617.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09261	0.6
58.20652	0.5
59.01252	3.5
61.98701	30.8
69.03317	0.7
69.33255	3.3
69.33665	1.7
71.01260	2.5
73.02811	0.6
75.80630	0.5
85.02806	0.7
89.02326	1.7
93.03344	3.4
96.95917	1.2
101.02361	1.3
105.03344	0.6
113.02358	0.9
120.11444	0.5
121.02841	3.8
122.03631	12.9
122.04419	0.5
127.32565	0.5
132.02065	0.6
133.02872	2.0
134.03610	1.5
135.04419	1.1
136.01541	1.4
137.02345	1.4
145.02823	0.8
149.01451	0.3
149.02348	18.2
150.03136	88.6
151.03445	3.3
156.33842	0.6
160.01587	1.1
161.02373	1.7
161.04404	0.6
163.03860	0.9
164.04680	3.5
165.05487	100.0
166.05841	4.3
175.03967	0.8
175.13744	0.6
177.01884	0.7
179.05637	0.7
180.04228	5.5
193.05052	1.3
194.05498	0.7
195.06564	72.3
196.06934	3.7
207.06590	1.3
208.48326	0.5
211.03867	0.6
226.06230	1.1
241.04779	0.8
253.04973	0.9
254.05739	1.6
255.02856	1.2
264.04254	1.0
265.05054	0.9
266.05893	0.9
267.06445	0.8
269.04581	1.0
269.08191	0.8
270.05289	2.5
281.04645	0.7
282.05362	1.4
285.07642	1.3
293.04697	0.9
294.05417	1.8
295.06097	1.3
297.07608	1.3
298.04855	1.7
299.09259	0.6
307.19397	0.7
308.06924	1.6
309.07593	4.1
310.04733	2.3
310.08322	2.3
313.07227	7.1
314.07550	1.0
323.09076	0.8
324.09903	1.4
325.07138	10.6
325.10693	0.8
326.07596	0.9
327.08673	0.8
328.09512	11.6
329.09857	1.6
340.09540	7.6
341.09763	0.8
342.11200	0.9
343.07788	1.2
343.11847	16.5
343.15997	1.1
344.12225	1.6
355.07553	0.9
355.11838	16.3
356.12112	1.9
372.11835	0.9
373.13071	3.2
388.11304	0.5
391.13956	27.1
392.14435	3.5
392.55759	0.6
403.13962	32.8
404.14175	3.0
421.14880	0.9
431.18250	0.7
476.14655	1.4
477.14816	0.7
491.17081	4.6
521.18018	1.1
539.19110	2.1
557.26068	0.9
569.20190	4.7
575.26428	1.0
617.22449	4.8
618.22809	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	615.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	23.8
61.98700	4.4
63.65056	1.2
69.03316	4.8
71.01253	13.2
71.49230	1.3
72.99174	1.5
73.02806	14.0
83.01263	7.5
85.02836	3.4
87.00751	2.9
87.49140	1.1
87.90105	1.4
89.02323	3.2
96.95885	2.7
99.00764	8.5
100.01543	4.7
101.02328	12.0
111.00759	11.1
113.02324	4.7
113.99478	41.5
115.00261	18.3
128.01012	4.0
134.03667	5.9
139.00243	4.4
149.04454	2.5
149.05928	2.7
150.03110	1.9
151.03915	1.5
156.00545	47.1
157.01257	4.2
161.02364	1.3
161.04437	4.0
165.01872	1.5
165.05482	1.5
174.01610	100.0
175.02231	6.8
175.03880	2.6
178.02599	2.9
180.04163	1.3
185.00836	7.0
193.04951	11.2
195.06471	2.3
197.00911	1.3
224.40944	1.5
287.16507	4.8
301.03647	2.4
405.80246	1.3
429.17657	4.7
471.22748	1.7
472.22931	1.3
511.21930	13.5
512.22211	1.5
552.06372	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	615.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10682	0.6
56.40779	0.4
59.01258	0.5
67.00007	0.4
71.51311	0.6
74.09718	0.6
78.95767	1.0
80.96391	0.5
93.03307	0.6
100.59042	0.5
113.49712	0.5
121.02841	1.5
133.02850	1.8
134.03635	50.5
135.03944	1.6
137.02351	8.8
139.03896	2.8
149.05986	13.0
150.03128	1.4
150.06340	1.1
152.99548	0.8
178.02638	31.4
179.02991	1.3
191.97562	0.5
193.04990	100.0
194.05304	4.9
203.66437	0.5
249.43259	0.5
267.66730	0.6
494.42520	0.5
548.12238	0.6
598.21912	0.6
622.92194	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	617.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59775	2.6
55.01754	6.4
59.01247	27.4
61.98693	26.1
69.03322	100.0
69.28336	29.5
70.03666	5.3
71.01253	20.3
72.99189	3.3
74.10152	2.6
78.95780	5.1
85.02837	7.9
86.07165	2.4
87.00742	3.8
87.31953	3.0
89.02321	16.7
95.01260	2.7
96.95891	20.3
97.02829	26.5
98.03138	3.0
99.00763	24.6
99.04419	11.6
99.21666	2.7
101.02341	12.3
113.02320	9.5
119.03414	6.1
123.00759	3.3
123.04427	2.8
128.03377	3.9
135.04433	4.3
138.02173	2.8
141.01830	10.8
145.02841	3.5
148.05086	3.4
149.02324	5.2
150.03096	9.1
161.04469	3.6
165.01881	3.9
165.05478	10.2
166.02510	3.6
179.07112	3.5
185.00851	62.9
186.01227	8.9
193.04976	4.8
194.05849	3.7
195.06554	7.6
203.01923	6.1
207.13853	7.6
251.12849	31.7
296.14795	3.1
310.99316	3.6
430.17938	4.5
431.19168	76.0
432.19604	11.6
617.20435	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	617.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15767	1.0
61.98699	3.5
66.50458	0.9
79.28097	1.1
84.18382	1.1
93.03342	4.6
115.85655	1.1
121.02855	6.0
122.03634	17.1
132.02127	1.0
133.02824	1.7
135.04440	1.1
136.01556	1.9
137.02319	1.6
149.02356	24.7
150.03133	100.0
151.03456	5.1
160.01573	1.1
161.02368	2.1
163.04004	2.0
164.04729	6.2
165.05479	99.2
166.05852	5.6
173.60384	1.0
180.04210	6.8
195.06563	59.6
196.06895	3.4
207.06602	1.5
211.03877	1.1
226.06332	1.2
237.05545	1.9
238.06165	1.1
241.05095	1.4
241.08704	1.1
253.05110	2.0
254.05861	4.5
255.03047	2.9
265.05185	1.4
267.06451	1.1
269.04550	3.2
269.08182	3.0
270.05222	4.9
277.37820	1.0
281.04626	1.2
282.05182	1.9
283.06314	1.5
283.09637	2.3
284.06842	1.3
285.07755	2.6
294.05338	3.1
295.06018	3.2
297.07275	1.6
298.04831	2.6
299.09332	1.1
308.06989	2.5
309.07532	6.5
310.04800	4.2
310.08221	2.2
311.05692	1.1
311.09195	3.3
312.06619	2.4
313.07220	13.0
324.10037	2.3
325.07239	13.1
326.07489	2.1
327.08862	2.1
328.09500	18.6
329.09961	3.2
339.08780	1.2
340.09503	11.2
341.09985	2.4
343.11874	23.6
344.12277	1.7
355.11862	21.4
356.12363	1.8
373.13083	2.1
391.13977	40.7
391.19049	2.3
392.14462	4.9
403.13977	49.8
404.14355	5.6
448.14758	1.5
476.14789	17.5
477.15109	1.6
491.17090	61.2
492.17322	10.3
521.18176	2.8
539.19141	16.2
540.19714	1.6
551.19379	4.3
569.20258	17.6
570.20819	3.0
617.22369	11.8
618.22870	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	615.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02271	0.6
55.01754	4.0
56.19319	0.6
59.01251	10.0
61.98703	1.6
67.01740	0.8
69.03323	100.0
69.74497	0.6
69.74837	4.2
70.03677	1.9
71.01252	7.4
72.99179	2.8
79.01755	1.5
85.02827	2.4
87.00776	0.8
88.98660	0.8
89.02316	9.2
95.01282	2.7
97.02827	20.7
98.03150	0.8
99.00754	27.4
99.04432	1.2
101.02334	5.1
111.34586	1.0
113.02298	3.6
119.03390	5.0
123.00764	1.0
141.01822	8.4
143.03377	1.4
143.04462	0.7
161.04503	2.1
161.13275	2.8
179.05510	4.9
185.00833	94.3
186.01170	4.2
201.10889	0.8
203.01907	5.3
205.12270	10.4
249.11298	13.8
250.11749	0.9
345.69452	0.8
385.18866	1.3
429.17621	31.3
430.17957	3.7
461.39102	0.8
615.18994	10.1
615.34100	0.8
616.19000	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	615.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58472	0.6
59.01243	3.9
61.98696	4.0
69.03316	1.4
71.01250	2.5
71.50269	0.9
73.02808	0.8
86.65169	0.7
90.61823	0.7
93.03341	1.3
96.95889	4.8
98.11528	0.7
99.00717	0.8
101.02290	1.7
107.01264	0.8
107.04938	0.7
108.02041	1.9
109.02810	1.1
111.00775	0.8
112.41363	0.7
113.02311	0.7
113.99487	1.7
115.33262	0.8
119.04939	1.4
121.02830	3.4
122.03644	2.0
123.04379	2.0
127.05048	0.8
133.02888	3.9
134.03629	58.4
135.03944	1.7
136.01534	0.9
137.02350	14.2
138.03119	1.1
139.03911	4.2
146.03644	1.0
147.04417	1.0
149.02373	4.1
149.05992	16.6
150.03130	13.4
151.00258	3.5
151.03944	6.7
152.01103	1.8
160.01576	0.8
160.03873	0.8
161.02327	0.9
164.04683	2.4
165.01799	6.4
165.05457	8.4
166.02641	8.3
166.05937	0.9
178.02632	35.2
179.03450	4.6
179.05617	1.3
179.07008	6.5
180.04189	4.3
181.04984	13.7
185.00826	1.4
191.03532	0.9
192.04214	5.7
193.04993	100.0
194.05377	5.9
195.06575	7.0
196.06740	0.9
207.06563	12.9
209.04500	1.7
210.05313	1.0
211.06116	5.0
225.07507	1.4
241.00063	0.8
273.62625	0.7
297.07526	1.0
312.10220	1.0
317.03046	4.5
359.11441	1.8
370.99658	0.8
371.11066	3.5
373.57599	0.8
382.07831	0.8
389.12250	1.1
419.13312	1.1
425.12415	1.0
463.97406	0.8
484.17245	0.9
534.43652	1.0
597.19495	1.4
597.29834	1.2
615.11420	1.3
615.21075	7.3
615.31671	2.2
616.20123	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	610.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	8.6
61.98703	100.0
70.64537	1.5
70.64934	2.3
71.01255	1.9
78.95779	3.4
79.69140	0.7
89.02328	0.9
93.03328	2.2
113.02309	0.9
124.01553	22.6
133.06493	2.3
136.01620	1.0
138.24773	0.8
139.03909	49.7
140.04292	1.1
144.18549	0.8
152.99492	2.0
163.11212	0.9
165.01942	1.2
178.02640	4.4
193.04993	16.9
197.11804	1.1
210.01628	1.8
211.13103	0.9
242.08018	1.1
275.63693	0.8
293.21216	14.4
299.09229	43.9
300.09592	3.9
311.22211	12.5
312.80170	0.8
321.07236	1.0
325.23853	0.9
503.15582	24.7
504.16132	4.4
520.50568	0.8
536.29865	21.2
550.31476	1.1
609.35626	0.8
610.25586	0.9
635.69098	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	611.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05112	0.9
58.00460	3.8
59.01252	73.6
60.01566	1.0
69.69122	6.0
71.01254	36.3
72.99173	3.6
73.02821	1.4
83.01237	2.1
85.02827	9.2
87.00747	1.5
89.02322	31.6
89.61072	0.9
95.01273	3.9
99.04398	20.8
100.04747	1.1
101.02317	18.5
101.15578	1.0
103.91529	0.9
113.02331	13.3
119.03394	10.2
121.06474	1.0
143.03400	2.0
145.02876	1.1
156.75851	1.0
179.05525	4.0
189.12766	5.4
207.13864	38.4
208.14243	2.7
209.11823	3.3
233.11705	1.2
237.56911	0.9
251.12868	81.8
252.13243	6.1
269.13931	5.9
281.36597	1.1
287.05640	1.1
387.20187	2.1
427.25351	1.2
431.19226	100.0
432.19574	11.7
449.20236	11.7
611.25574	81.6
612.25873	13.3
630.42987	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	611.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.6
61.98695	2.7
62.74825	0.8
67.53958	0.9
69.76024	5.5
71.01280	1.2
78.95774	53.6
90.33832	1.1
96.96841	7.9
104.58894	0.8
113.09576	2.5
144.23773	0.9
147.55856	0.9
152.99490	62.7
171.00562	1.7
179.14276	1.2
195.13850	17.3
196.14105	1.0
222.65282	0.8
223.00053	6.7
226.75316	0.9
241.01138	22.7
242.01370	1.2
253.09274	1.1
259.02332	1.4
277.21716	15.8
278.22003	1.8
287.86969	1.0
293.21216	1.4
295.22766	53.1
296.23306	4.1
315.04825	9.6
333.05670	0.9
403.32791	1.0
469.28903	0.9
611.28357	100.0
612.28705	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	612.3174
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
71.50299	0.7
78.95757	0.8
96.95888	1.2
121.02842	100.0
122.03165	3.9
180.05725	1.6
181.06519	7.7
207.32338	0.6
225.05534	7.6
226.05769	1.1
313.07178	15.6
314.07437	1.0
357.06165	7.8
358.06555	0.9
612.31750	49.9
613.31989	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	615.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.3
61.98697	3.2
69.64908	2.9
69.65317	1.1
71.01252	2.4
73.02829	1.0
74.02346	0.7
78.95773	1.8
79.95608	3.7
80.96390	2.0
83.01225	0.7
85.02822	1.1
87.00709	0.7
89.02289	0.9
93.03330	2.2
96.95885	100.0
97.02782	0.5
98.19832	0.8
99.00787	0.7
101.02305	1.6
103.00249	4.8
105.03339	0.6
113.02312	0.9
120.01128	1.0
122.03635	0.7
124.01601	1.6
128.03397	1.8
134.97498	1.7
137.02341	0.8
137.06007	1.0
138.96991	1.4
139.03908	4.4
143.04504	2.0
145.06087	0.7
149.02324	1.3
150.03139	3.8
151.00232	1.0
151.03462	1.1
152.01064	0.8
152.98502	2.7
152.99559	1.5
153.05457	0.7
165.01883	1.2
165.05438	5.0
166.02678	2.8
166.05827	1.1
171.10144	1.3
179.03352	1.0
180.97995	0.9
181.04979	29.4
182.05322	2.1
193.04999	1.7
194.99574	1.0
195.06506	3.0
196.06979	1.2
210.08638	0.6
222.99088	0.7
237.04379	1.6
241.00191	22.7
242.00722	0.7
254.07848	1.0
255.23271	2.1
256.38245	0.6
272.08795	1.6
283.01285	19.3
287.09241	14.1
288.09634	1.3
306.07562	3.3
327.00388	1.8
342.06418	0.7
491.15622	2.3
511.09210	0.7
529.10193	10.6
530.10809	1.0
536.17719	0.7
566.21216	1.1
567.21826	1.2
571.11249	37.9
572.11621	5.7
597.09485	0.8
615.10223	20.2
615.38257	0.7
616.10669	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	615.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36816	0.6
55.01762	3.8
58.00461	0.9
59.01252	16.6
61.98700	3.7
67.01750	0.7
69.03326	100.0
69.45171	0.6
70.03661	2.4
71.01253	13.3
71.49469	0.8
72.99181	3.4
77.82841	0.5
79.01753	1.6
83.01266	1.6
85.02802	3.3
87.00767	1.4
89.02316	18.7
93.03326	1.4
94.28418	0.6
95.01289	2.4
96.95887	4.8
97.02831	19.0
99.00755	26.4
99.04409	2.0
101.02325	8.8
111.04433	1.1
113.02344	6.7
119.03394	9.3
122.03640	0.7
123.00780	2.0
125.02400	0.7
128.03496	0.9
131.03404	0.8
134.03654	0.9
135.04483	0.8
137.02376	1.0
141.01822	4.8
143.03436	2.0
149.02362	3.3
149.04469	0.9
149.05988	0.7
150.03122	9.4
153.01530	0.5
161.02441	0.8
161.04501	2.2
161.13303	5.7
164.04697	1.3
165.01965	0.7
165.05484	9.1
175.03896	0.7
179.03423	0.7
179.03999	0.8
179.05547	7.6
180.04277	1.2
181.04953	0.6
183.27707	0.6
185.00839	53.5
186.01244	2.0
187.11133	1.1
193.05028	0.8
195.06511	6.0
197.04153	0.7
203.01944	2.6
205.12283	17.2
206.12666	1.1
208.03751	1.7
223.06139	4.3
241.00348	0.8
249.11305	23.2
250.11708	1.1
283.06244	1.1
311.05872	0.7
385.18811	2.9
389.08868	2.6
404.11154	1.1
419.13397	7.1
429.17648	56.0
430.18021	8.5
615.09534	1.2
615.18823	8.3
616.20074	2.4
616.29071	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	609.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	18.2
61.98697	2.1
63.02266	0.5
65.00174	1.1
70.32522	1.4
71.01253	7.2
73.02823	1.8
74.14091	0.4
75.00745	0.5
75.93112	0.3
79.95589	0.5
80.96390	0.7
83.01254	2.1
84.04375	0.4
85.02833	3.1
87.00739	0.8
87.02018	0.3
88.98669	1.0
89.02291	1.6
93.03322	0.8
93.34486	0.3
95.01237	1.0
99.00745	0.8
101.02329	3.0
107.01262	2.7
109.02855	2.1
111.00771	0.4
113.02336	3.1
117.03344	0.8
121.02801	1.5
121.10056	0.4
124.01494	0.5
125.02324	0.9
137.02292	0.4
143.03371	0.5
145.02831	0.9
147.04424	0.4
148.01559	0.4
149.02306	0.9
151.00261	8.8
152.00798	0.3
159.04391	0.5
161.04420	1.0
163.00282	0.6
169.01276	1.0
173.05931	0.6
175.03915	0.5
178.99815	4.2
185.05920	0.4
187.03891	0.6
190.73393	0.3
193.01389	0.5
201.05383	0.8
211.03741	0.5
214.05005	0.3
227.03348	0.6
229.05240	0.5
229.17914	0.4
243.03001	0.5
255.02942	1.5
256.03491	0.8
267.06326	0.4
299.25793	0.4
300.02771	1.5
301.03528	100.0
302.03873	10.1
315.25232	0.8
361.29645	1.1
373.52267	0.4
395.21307	0.4
423.41925	0.4
445.07843	0.6
505.33807	19.3
506.34079	3.0
507.28271	0.8
523.34930	2.1
549.25928	0.4
609.12585	12.4
609.22864	0.7
609.26685	0.6
609.37695	0.7
610.12708	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	609.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.2
69.03342	1.4
72.05131	1.2
77.29142	1.4
78.95786	2.0
80.96436	1.7
82.97028	1.4
83.71776	1.3
95.04887	6.3
101.41277	1.2
109.06493	2.4
114.39374	1.3
120.55610	1.2
120.67538	1.3
121.10126	30.0
122.10446	1.7
125.09635	1.3
126.90742	1.4
171.10182	79.4
172.10547	3.7
185.11707	2.2
191.14496	1.4
197.11745	1.5
207.09944	3.2
231.21155	4.6
232.21515	1.5
247.15652	1.5
271.94705	1.3
275.20169	100.0
276.20520	7.9
278.11349	14.4
293.21234	97.4
294.21579	10.7
297.18256	1.7
312.70132	1.6
313.18005	1.7
315.19403	60.3
316.19818	3.3
329.17230	2.8
359.18347	14.2
360.18896	1.6
373.85196	1.5
503.94009	1.4
609.41284	86.0
610.41718	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01887	1.3
55.01760	1.5
57.03322	4.6
59.01250	75.8
60.99156	1.6
61.98695	2.7
63.66118	1.4
69.16838	1.4
69.17236	12.7
71.01252	18.4
73.02811	4.2
75.00755	1.5
83.01254	4.0
85.02805	11.4
87.00740	1.9
87.04393	1.5
88.98672	9.6
89.02311	4.7
95.01280	2.2
96.95891	3.1
98.19786	2.9
98.23540	1.2
99.00770	2.0
101.02320	12.1
104.75594	1.3
107.49386	1.4
113.02348	9.4
119.03388	1.6
123.08015	1.6
125.02322	2.0
128.88776	1.2
161.04431	3.2
171.13799	2.9
315.25461	1.7
359.27982	2.7
361.29532	8.6
476.29938	1.4
505.33804	100.0
506.33954	15.5
523.34912	26.4
524.35107	4.3
565.36090	8.2
566.36011	1.6
596.09808	1.5
609.25159	2.0
609.34961	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	609.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	2.1
57.03320	5.4
59.01248	90.0
60.01585	2.1
61.98708	1.8
69.55232	8.4
69.55644	2.6
71.01250	36.4
73.02822	5.2
79.17563	1.5
80.48396	2.0
83.01254	4.4
84.39825	1.9
85.02818	13.3
87.00745	4.7
89.02310	7.4
89.55649	2.0
95.01270	3.6
97.02834	3.7
98.20502	3.8
99.00734	3.5
101.02303	13.7
101.02824	1.4
102.42259	1.7
102.82597	1.5
111.00729	1.7
113.02327	20.8
116.14441	1.8
143.03348	2.2
145.61736	2.1
161.04533	3.0
187.13467	2.2
201.14970	1.9
217.14545	1.9
265.08673	2.3
277.18384	2.0
355.47281	1.8
361.29776	8.4
368.46304	2.1
454.14481	1.9
505.33768	100.0
506.34137	11.3
523.34729	21.6
524.35052	3.2
553.62653	2.0
565.35620	8.1
609.30469	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	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.4
55.37179	1.2
57.03320	11.6
58.00441	1.4
59.01250	93.2
61.98687	4.0
68.45341	1.0
69.03315	2.5
69.28741	1.1
69.34269	1.1
70.79283	3.6
71.01250	39.0
72.99162	1.6
73.02816	8.0
83.01247	5.4
85.02823	20.9
85.99949	1.4
87.00745	3.9
88.98660	2.2
89.02316	11.6
95.01269	3.5
96.95882	2.9
97.02824	2.1
99.00759	3.5
101.02316	18.3
111.00757	2.1
112.01556	1.7
113.02330	22.5
119.03381	3.3
125.02319	2.5
125.09505	1.2
134.51578	1.2
135.04399	1.1
143.03365	3.3
147.04289	1.0
147.88542	1.2
151.00342	1.3
161.04475	3.7
166.02676	2.5
171.13829	4.0
173.11713	3.9
179.05530	1.3
181.04982	6.7
183.13762	2.6
193.22667	1.1
201.24640	1.2
203.03407	2.7
211.13348	25.3
218.05730	3.1
233.08167	2.3
235.08315	2.1
361.29599	11.8
397.13486	10.3
415.14511	3.7
447.16653	1.8
505.33820	100.0
506.34052	12.3
523.34875	30.0
524.34900	2.8
565.35834	15.5
609.30621	11.8
609.80682	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	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24706	0.6
55.01749	1.1
55.84571	0.7
57.03323	2.0
57.33629	0.6
59.01249	52.5
61.98708	3.0
63.02248	0.7
65.00203	1.6
69.32349	3.7
69.32777	2.2
71.01252	15.0
72.99171	0.9
73.02820	5.2
75.00735	1.3
80.96404	1.9
81.72301	0.6
83.01272	4.7
85.02807	9.2
85.03220	0.8
87.00747	2.0
88.98674	1.8
89.02319	4.3
95.01247	1.8
96.95884	1.2
97.02835	1.7
99.00758	1.8
101.02325	8.4
104.20216	0.6
107.01279	2.3
109.02819	2.2
111.00751	1.4
113.02331	9.4
113.60789	0.8
114.02643	0.6
119.03409	1.1
119.04879	1.5
121.02830	2.3
122.69299	0.6
124.01563	0.9
125.02333	1.9
143.03363	1.0
145.02850	1.2
147.04431	0.8
149.02321	0.9
151.00273	9.3
159.02904	1.0
159.04384	1.3
161.02332	1.0
161.04454	2.7
163.00275	1.1
175.03969	0.7
178.99773	4.6
187.03964	0.6
195.04312	0.7
211.03954	0.7
227.03329	0.7
255.02968	1.8
300.02844	1.3
301.03516	100.0
302.03867	11.6
322.10699	1.7
359.28204	0.8
361.29724	3.7
444.31891	0.7
446.15927	1.1
505.33810	65.0
506.34106	9.8
507.28180	2.1
523.34857	8.1
525.29120	1.5
565.35980	1.5
609.12347	12.4
609.23651	3.0
609.37897	1.2
610.13251	4.1
610.22522	1.1
622.21429	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	609.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.7
55.02053	0.6
57.25238	0.6
59.01248	61.6
60.01582	1.1
61.98704	0.9
69.03336	0.9
69.21645	2.9
69.22078	2.9
71.01254	21.6
72.99200	1.2
73.02813	21.5
74.02351	0.9
83.01254	7.9
85.02823	3.4
86.22943	0.6
87.00761	1.1
89.02310	4.6
90.36242	0.6
93.02855	0.7
93.03321	3.7
95.01278	1.7
95.04941	0.8
97.02848	1.0
99.00762	1.6
101.02322	23.4
108.02057	0.8
109.02833	1.0
113.02332	10.2
114.35410	0.5
116.03415	1.1
118.10354	0.6
119.03365	3.0
120.01099	1.4
121.02823	6.5
122.03622	14.3
123.04408	1.2
125.02343	1.7
131.03383	2.0
132.02031	1.0
133.02831	1.6
134.03621	0.8
135.04488	0.7
136.01563	1.8
137.02322	2.1
137.05923	0.8
137.79735	0.6
143.03389	4.0
145.02844	0.8
149.02345	38.0
149.04434	4.4
149.05946	1.1
150.03127	98.0
151.03636	3.9
153.05496	0.8
155.03473	0.7
156.23296	0.6
161.02367	2.5
161.04469	8.2
161.05844	1.3
162.03096	3.7
163.03905	1.4
163.07541	1.0
164.04686	11.6
165.05479	100.0
166.05823	4.8
168.24899	0.6
176.04691	1.4
177.01952	0.7
177.05544	4.3
179.03421	11.3
179.05066	0.7
179.05643	0.8
179.07062	1.3
180.04175	6.9
190.02525	0.7
191.07088	1.6
193.08640	2.4
194.05789	14.0
195.06552	72.2
196.06895	2.8
203.05562	1.2
207.06564	1.1
209.08116	35.2
210.08554	1.5
211.13364	0.9
221.06503	1.7
223.06145	0.9
251.09203	1.0
255.02998	1.1
285.04077	3.8
285.06711	0.7
294.08548	0.6
310.08496	1.2
313.10715	1.0
325.10916	0.9
327.08679	1.0
342.11057	5.7
357.13416	63.0
358.13739	5.5
387.14539	0.7
397.13251	1.0
405.15463	2.7
447.17761	1.3
456.71664	0.8
501.17599	5.2
502.17584	1.0
519.18555	0.8
549.19702	2.5
561.20020	1.4
565.30206	0.9
567.20679	2.7
609.13538	1.2
609.21942	7.3
610.22107	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24631	0.7
59.01247	3.7
65.00232	0.8
66.61998	0.6
70.06494	0.6
71.01254	1.9
71.04902	0.9
71.50105	1.2
72.95635	0.5
74.02332	0.7
78.50242	0.6
88.98714	0.6
89.02312	1.9
93.03367	0.6
94.09651	0.6
95.11392	0.6
99.04431	0.9
101.02329	1.0
102.04544	0.5
108.02062	1.0
109.02840	0.9
113.02336	1.0
117.03373	0.8
119.03379	0.7
128.03441	0.6
135.04431	0.7
143.04524	1.4
151.00229	3.4
153.01875	2.5
159.04399	0.8
161.02316	1.8
179.14299	1.3
183.04503	3.3
202.86998	0.6
211.03979	3.1
223.13385	1.7
227.03465	2.5
249.11285	0.9
255.02975	54.0
256.03360	4.9
267.12421	2.4
283.02472	100.0
284.03006	16.0
285.04037	9.0
286.04263	0.7
306.07709	2.0
307.07944	0.6
311.97894	0.7
374.18549	0.7
442.29169	0.7
446.08612	6.7
447.08865	5.6
447.18475	5.9
448.09668	1.0
475.51382	0.8
609.14575	78.3
610.14844	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	608.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.4
61.98700	100.0
71.01257	1.3
71.49928	0.6
78.95760	1.0
79.95583	0.6
80.96386	4.9
85.02823	0.7
93.17760	0.5
94.97948	0.6
96.95912	0.5
101.02335	0.9
122.97494	0.7
125.02345	0.5
130.84012	0.5
134.97487	0.5
148.92180	0.5
152.99547	0.5
163.35870	0.5
163.97263	0.4
164.98549	0.7
225.00618	1.2
539.06506	0.6
564.34625	1.0
608.33588	0.7
609.25739	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.0
59.41772	0.4
60.99178	15.5
67.70431	0.3
71.01250	0.7
71.49857	0.7
77.61240	0.4
78.95777	5.4
87.00750	2.1
88.00285	2.8
88.98678	100.0
89.02314	29.4
89.99001	1.1
96.96839	1.0
113.02340	0.6
122.65581	0.4
122.98370	0.4
152.99474	1.5
249.05994	0.6
277.21695	0.6
279.23260	6.1
280.23691	1.1
346.05618	1.5
433.23862	0.9
459.24988	0.4
504.31006	1.8
527.28613	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	609.125
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
50.50148	0.1
57.03321	0.3
58.17125	0.1
59.01251	5.0
60.01565	0.2
61.98703	0.4
63.02271	0.8
65.00188	1.0
67.07903	0.1
69.22170	1.4
69.22581	0.3
71.01253	1.7
73.02800	0.4
77.68210	0.2
77.80260	0.2
79.95594	0.2
80.96400	0.2
83.01239	1.2
85.02813	1.1
87.00736	0.2
88.98663	0.4
89.02310	0.5
93.03350	0.5
95.01263	0.3
96.95887	0.3
98.19765	0.3
101.02314	0.7
104.01099	0.2
107.01266	2.4
108.02059	0.3
109.02835	2.1
111.00750	0.3
113.02329	1.0
117.03355	0.4
119.01200	0.1
119.04922	0.2
121.02842	1.7
125.02326	0.3
134.03566	0.2
135.00719	0.3
137.02332	0.3
139.03891	0.4
143.13672	0.2
145.02858	1.0
145.06158	0.2
147.00775	0.2
149.01294	0.2
149.02336	1.2
151.00270	8.5
152.00598	0.3
155.04970	0.2
159.04436	0.6
161.02455	0.2
161.04483	0.2
163.00291	0.8
163.03827	0.2
164.01033	0.2
166.14876	0.2
167.04939	0.3
169.01357	0.9
170.03706	0.2
171.04378	0.2
173.05980	0.4
178.99780	4.8
183.04543	0.4
185.05989	0.3
187.03961	0.4
189.01958	0.2
190.02769	0.2
193.01288	0.2
193.04976	0.2
197.11691	0.2
199.03947	0.2
201.05533	0.7
203.03409	0.3
211.03860	0.8
212.04401	0.2
213.01826	0.6
214.02574	0.2
227.03392	1.1
229.05054	0.4
231.02982	0.2
241.10690	0.4
245.04538	0.4
255.02928	1.4
256.03583	0.2
271.02444	0.3
273.03995	0.3
283.02258	0.3
284.03278	0.4
300.02719	1.1
301.03516	100.0
302.03860	8.0
361.29489	0.4
504.32471	0.6
505.33771	4.8
523.34729	0.9
609.12482	15.1
609.21747	0.6
609.37433	0.5
610.12805	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	607.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.6
57.00490	0.6
57.03331	3.0
58.00438	0.6
59.01253	24.7
61.98685	1.2
69.03322	0.6
70.19024	2.6
71.01255	18.6
72.99162	1.1
73.02815	5.5
75.00718	0.5
76.07299	0.5
77.99601	0.5
78.56852	0.5
81.38279	0.5
83.01257	2.7
85.02355	0.7
85.02825	9.0
85.04929	0.6
87.00748	1.0
89.02311	7.2
95.01255	1.8
98.20490	1.0
99.00751	1.7
101.02323	14.0
113.02331	7.0
116.92824	0.5
117.03282	0.7
119.03400	2.6
121.02822	2.3
123.08064	2.9
123.35673	0.5
135.04289	0.6
137.09604	0.7
143.03415	0.7
147.04376	0.8
149.02344	12.5
150.03145	1.3
159.02898	0.8
161.04442	2.1
164.04726	6.3
165.05385	0.6
176.01038	5.2
177.12802	4.9
179.05469	0.7
190.02655	1.4
191.03426	4.4
195.13802	1.0
205.04961	1.8
209.04427	1.1
209.11787	0.8
221.11748	3.0
223.06064	2.7
297.85345	0.6
342.16861	0.5
359.28003	1.0
401.18161	100.0
402.18472	10.4
433.27994	0.9
503.32288	12.7
504.32434	1.5
521.33246	3.7
522.32886	0.6
563.34222	1.0
607.24048	18.6
607.33185	0.7
608.24243	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	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19197	0.9
55.01758	1.6
57.03327	2.5
59.01248	64.7
61.98703	1.7
69.41637	4.5
69.42051	3.0
71.01254	19.7
73.02465	1.2
73.02814	7.2
83.01242	5.2
85.02823	11.8
85.99957	1.6
87.00773	2.1
89.02346	1.7
95.01265	2.0
96.95901	2.2
99.00757	2.5
101.02318	10.9
108.67809	0.9
111.00770	1.4
113.02343	8.8
121.10103	3.5
125.02346	2.7
137.09628	0.9
141.12679	1.4
143.03401	2.2
152.64598	0.9
159.02898	1.3
161.04477	3.1
169.12192	1.0
171.13806	2.8
201.14894	10.0
274.00241	1.1
341.26901	1.4
345.19128	5.2
357.11072	1.1
359.27994	3.6
361.20172	1.0
363.20282	3.3
430.13885	1.1
433.28027	2.5
463.48886	1.0
485.31564	1.4
503.32266	100.0
504.32532	14.9
521.33356	22.1
522.33521	2.8
563.34454	3.0
599.90656	1.3
618.64880	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	607.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43475	1.4
53.02199	1.3
55.01728	2.1
55.32101	1.4
57.03294	2.9
59.01247	84.6
61.98706	1.8
69.35703	5.4
69.36133	7.1
71.01256	29.9
72.99171	2.3
73.02810	9.8
83.01272	4.9
85.02818	19.3
87.00743	1.9
89.02318	11.6
95.01258	4.5
97.06448	1.7
99.00761	3.6
101.02320	18.1
113.02331	20.7
119.03392	4.1
121.10074	3.1
125.02292	2.6
137.09590	3.7
143.03369	2.7
157.12236	3.7
161.04422	6.5
161.94670	1.9
164.04672	1.9
185.15343	2.0
239.47493	1.5
319.17548	2.1
341.26810	2.6
345.19223	2.1
347.20688	2.5
359.28143	3.1
380.68341	1.9
401.18192	9.6
402.18289	1.8
458.56012	1.7
503.32239	100.0
504.32556	15.1
521.33252	21.4
522.33557	3.1
563.34332	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	607.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.5
57.71864	1.6
59.01252	100.0
61.98700	7.3
71.01257	19.8
71.50546	1.9
73.02807	3.4
74.01208	1.4
78.95749	1.6
83.01238	3.5
85.02821	9.5
89.02296	6.2
93.70358	1.5
95.01279	2.4
96.95879	5.3
97.02831	1.7
101.02340	9.6
113.02329	11.0
119.03368	2.0
134.60776	1.6
136.01520	2.6
143.03423	1.9
151.03880	5.1
159.97420	1.7
161.04491	3.4
167.86926	1.5
175.03874	1.8
223.05992	2.1
235.81827	1.5
244.41182	1.6
272.63760	1.3
281.06039	1.6
298.91144	1.6
322.07181	1.8
369.15588	3.4
469.31628	2.5
487.32776	28.0
488.33005	3.6
503.32043	16.9
504.32587	3.5
505.33813	10.9
521.33063	5.5
574.52563	1.5
607.23804	6.9
607.36340	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58662	2.0
57.03321	3.5
59.01247	100.0
61.98683	3.7
69.03329	2.1
69.79865	9.8
71.01250	35.7
72.99138	3.2
73.02815	8.9
80.76868	1.9
82.90353	1.8
83.01254	5.2
83.04884	2.1
85.02821	16.3
87.00751	3.7
89.02323	14.4
95.01265	4.1
96.95888	3.7
99.00742	2.9
101.02319	20.1
111.00759	2.1
113.02334	21.9
119.03381	2.4
127.04986	2.3
128.03351	3.6
134.03693	2.3
134.06201	2.0
137.09615	7.3
143.03426	2.8
145.02821	2.8
145.06091	5.0
161.04459	6.5
175.04047	2.0
193.05006	2.2
213.18575	2.2
229.14270	1.9
301.03543	5.0
339.25378	2.5
357.26514	3.2
465.28632	2.4
483.29626	5.1
501.30652	64.4
502.30627	10.6
519.31647	21.2
520.32300	2.8
528.22815	2.3
561.32922	2.7
573.27454	2.3
605.33765	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.4
59.01248	100.0
61.98696	3.0
69.03332	9.4
70.80434	3.9
70.80769	3.4
71.01250	31.0
73.02820	8.4
75.68834	1.8
83.01241	3.6
85.02806	15.0
87.00749	4.6
88.24120	1.9
89.02322	9.4
95.01281	5.0
96.95911	2.9
97.02805	3.5
99.00778	2.7
101.02309	13.5
104.77094	2.3
109.52901	2.1
113.02320	15.5
119.03412	2.9
125.02328	2.2
127.84773	2.3
128.03477	4.8
143.03398	2.9
145.06082	3.5
161.04482	6.6
162.54616	2.2
185.00824	7.3
193.73848	2.5
203.01871	3.4
352.19592	2.4
357.26028	2.7
395.27029	2.5
410.73523	2.2
501.30679	51.9
502.30798	11.7
519.31665	21.5
520.32410	3.3
532.68860	2.4
543.31281	2.6
561.32874	2.7
605.33698	5.6
616.07800	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	606.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77908	0.3
59.01241	1.6
61.98699	100.0
70.37585	0.6
71.01244	0.3
78.95784	1.0
87.17796	0.3
98.19803	0.3
150.46370	0.3
152.99471	0.8
156.17787	0.3
187.16902	0.3
221.60994	0.3
291.19781	0.5
426.35620	0.3
446.08801	0.4
607.25446	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	606.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.2
60.99176	14.3
61.04021	0.3
61.98677	0.3
69.34285	0.3
69.85964	0.4
69.86375	0.9
71.01256	0.3
78.95776	18.3
87.00743	2.2
88.00269	3.2
88.01076	0.3
88.98676	100.0
89.02313	27.9
89.99012	1.1
96.96830	4.6
96.97421	0.3
98.19890	0.4
124.99991	0.4
134.04617	2.2
134.23711	0.2
134.70909	0.2
142.32730	0.2
150.97954	0.6
152.99480	1.4
172.15390	0.2
191.80566	0.2
210.99986	0.3
277.21729	4.9
278.22009	0.6
346.05545	10.3
347.05774	0.6
360.40649	0.3
409.24228	0.5
409.29590	9.3
410.30063	0.9
431.22208	0.6
436.30234	0.3
441.04227	0.2
457.23294	0.4
502.29257	1.7
606.34949	1.2
615.80365	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	606.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27362	0.3
59.01249	2.1
60.99174	16.0
69.79974	1.0
69.80384	1.2
78.95782	3.6
82.13169	0.4
87.00753	1.6
88.00268	2.9
88.98675	100.0
89.02314	15.6
89.99020	0.9
91.32058	0.3
96.96813	0.3
112.68045	0.4
152.99480	1.6
162.41885	0.4
184.79855	0.3
277.21695	3.2
317.63132	0.3
409.29709	0.4
431.21851	0.5
454.83401	0.3
457.23441	0.4
491.10834	0.4
502.29456	1.2
503.29745	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	603.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12252	0.2
59.01249	100.0
60.01591	1.2
61.98695	0.6
67.78554	0.3
69.17979	2.5
69.18399	0.5
71.01251	1.6
73.02821	0.4
78.95798	0.5
85.02824	0.7
92.22056	0.3
96.95885	0.6
101.02341	0.8
101.71955	0.2
103.24476	0.3
107.32990	0.3
110.00581	0.3
113.02329	0.6
119.03455	0.3
137.97069	0.3
150.39377	0.3
161.04477	0.6
179.37537	0.3
209.11925	0.4
253.09248	0.5
289.18143	1.2
307.19202	0.8
483.29922	0.8
501.30563	2.1
502.31357	0.4
507.53149	0.3
517.21368	0.4
543.32153	0.7
603.30701	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	605.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69589	2.7
55.01738	4.8
59.01244	5.4
62.12047	3.1
64.05623	2.7
69.02965	5.7
69.03323	100.0
69.88081	5.2
69.88498	9.2
70.03665	4.2
71.01248	5.3
72.99155	4.6
74.58942	2.7
85.02798	6.8
87.00758	3.2
89.02287	2.9
96.95873	5.0
97.02824	22.4
98.20592	2.9
99.00741	21.6
113.02291	4.0
135.04375	3.6
141.01805	9.2
145.02824	6.6
148.03934	3.1
150.05467	3.3
160.01555	4.5
161.02312	7.1
165.05370	2.8
168.55824	2.4
175.03876	6.7
175.37961	3.0
185.00842	70.9
186.01080	3.2
193.04924	4.1
194.04480	6.5
195.06615	4.5
223.63232	3.0
358.12979	4.2
604.30542	3.6
634.64282	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	605.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46594	0.4
55.01758	3.6
67.01756	0.6
69.03325	100.0
70.03664	2.4
71.01250	1.5
72.26756	0.4
72.99169	1.5
79.01746	2.0
83.44314	0.4
85.02802	1.3
95.01267	2.4
97.02827	20.9
98.03143	0.9
98.19800	1.6
99.00756	24.5
100.01097	0.4
113.02319	0.9
123.00757	1.2
134.03644	1.3
137.02306	0.5
141.01825	7.5
165.01819	1.1
178.02657	0.7
180.04250	0.9
185.00833	71.6
186.01181	2.2
193.04994	2.7
195.06529	0.9
225.07648	0.6
229.97527	0.4
230.00598	0.6
234.18149	0.4
299.79651	0.5
344.92145	0.5
371.11319	1.1
516.57355	0.4
605.15424	2.5
606.17084	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	605.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02264	0.4
55.01762	3.4
55.69631	0.4
59.01255	1.9
61.98705	0.9
67.01761	1.0
69.03323	100.0
70.03660	1.8
71.01252	2.0
71.45478	0.6
71.45828	0.6
72.99187	2.4
78.95800	0.6
79.01757	1.6
83.02383	0.9
85.02832	1.7
88.84802	0.3
89.02317	1.0
90.35338	0.4
93.03262	0.4
95.01268	2.8
96.95887	0.9
97.02826	19.5
99.00755	25.7
101.02334	0.5
108.08057	0.5
109.35497	0.4
111.81165	0.4
113.02335	1.2
123.00757	1.1
132.02104	0.5
133.02808	0.8
141.01820	7.1
145.02916	0.4
145.06009	0.4
148.03917	0.6
149.02354	1.7
150.03127	2.0
150.05501	0.9
151.03902	0.5
152.07005	0.5
160.01523	0.9
161.02283	1.4
164.04739	0.9
165.05453	1.3
175.03899	1.5
176.04442	0.5
180.04076	0.4
185.00835	60.4
186.01225	1.9
193.01402	0.7
193.04967	0.7
195.06573	0.9
208.03697	1.1
223.06137	2.3
435.01022	0.4
465.28989	0.4
545.27350	0.5
575.00977	0.4
605.14960	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37259	5.5
59.01251	100.0
61.98702	44.6
69.27745	22.5
69.28170	33.9
71.01269	12.6
78.95756	7.4
83.76296	6.0
85.02858	8.0
89.02322	5.8
96.95882	10.9
101.02309	11.8
103.88517	4.8
121.88389	4.8
128.03441	7.6
130.55640	5.5
131.31207	5.9
132.61757	4.7
196.86099	6.0
245.51624	5.1
253.09271	23.9
291.19586	57.8
301.92001	5.0
309.20657	74.1
537.38055	5.6
561.32697	14.7
605.33087	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	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10795	1.3
54.07891	1.5
57.03305	1.9
58.02835	1.6
59.01249	100.0
61.98686	3.0
69.03328	2.0
69.53083	11.8
71.01250	26.9
73.02808	5.5
79.95598	2.2
83.01253	2.4
85.02826	15.7
87.00788	1.9
89.02309	10.9
95.01270	4.2
96.95883	9.5
97.06472	1.8
98.19784	2.3
99.00699	1.6
101.02312	13.9
111.00742	1.6
113.02321	15.4
119.03394	4.7
121.10101	3.8
125.09561	2.0
127.04974	2.7
128.03401	2.8
134.03676	2.2
145.02838	3.1
145.06039	3.1
148.05174	7.1
150.05493	2.2
159.02849	1.6
160.01561	2.1
161.04428	5.3
163.07596	8.0
175.03903	2.9
193.04991	2.0
241.00148	7.0
242.01631	1.9
283.01434	2.2
320.96017	2.2
339.25272	1.8
357.26553	3.3
389.86261	1.8
456.76291	1.8
483.29626	3.4
501.30682	55.8
502.31177	11.5
519.31842	19.5
520.31982	3.8
561.32635	2.2
605.34003	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	602.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67599	1.9
55.43953	2.0
57.03306	4.0
58.00460	4.0
59.01249	100.0
61.98693	6.7
69.98996	11.0
71.01254	41.7
71.04918	3.0
72.99185	4.5
73.02808	2.2
78.95766	2.5
82.02832	2.2
83.01227	2.9
85.02818	10.5
87.00753	3.2
88.03904	2.8
89.02316	41.3
95.01250	3.1
96.95871	4.4
97.06470	2.7
101.02313	26.1
111.07996	2.8
113.02315	13.5
115.07529	4.2
116.85403	2.3
119.03397	18.3
127.11180	3.4
143.03413	3.2
156.10187	3.2
161.04442	2.9
165.12766	16.5
169.12286	13.4
171.10155	4.2
179.05562	5.0
182.15550	2.6
183.13802	16.1
220.45403	2.2
222.49236	2.1
224.16542	9.2
226.18077	9.0
227.12828	10.7
248.00099	2.2
263.20135	5.1
270.17050	6.1
324.21838	6.0
338.34717	2.3
422.29092	85.1
423.29520	10.7
602.36047	18.1
603.35504	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00961	5.0
59.01250	100.0
61.98701	5.5
71.01248	14.2
71.17554	5.8
75.00744	11.7
76.28522	3.4
78.95745	4.6
83.01239	3.6
83.86793	3.3
85.02824	4.5
87.00773	3.5
89.02297	10.6
89.12363	2.8
94.15561	3.3
96.95913	4.0
97.06474	6.4
101.02304	11.7
113.02354	7.5
118.87038	2.9
123.08043	3.1
125.09589	5.8
137.09558	4.7
149.56241	3.2
154.02675	3.2
161.04440	6.5
163.11192	6.6
173.88446	3.0
180.10892	2.9
181.12338	5.0
185.11743	6.7
191.14369	4.2
197.75734	3.0
207.10204	4.2
209.11765	25.4
214.93846	3.2
245.19017	14.0
248.18616	3.2
253.09267	38.1
263.20102	6.0
289.18085	98.8
290.18362	9.2
307.19131	92.2
308.19400	8.2
395.04102	3.6
448.89456	3.4
543.28723	3.4
596.16577	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.0
60.91887	1.5
60.99174	8.3
69.76036	1.3
71.50667	2.1
72.09590	1.4
78.95782	9.0
79.36759	1.4
79.46188	1.4
87.00748	7.2
88.00266	11.9
88.98678	56.7
89.02315	100.0
97.69011	1.2
110.65948	1.6
122.16633	1.4
152.99515	6.6
171.10152	8.5
277.21884	1.7
290.76727	1.3
295.22711	2.6
307.09549	3.9
425.22672	1.6
431.22296	2.7
564.43726	1.5
603.32935	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27841	0.5
58.55550	0.5
58.57351	0.5
59.01241	2.7
60.59998	0.6
60.99179	3.7
63.83889	0.5
65.79216	0.5
69.39706	4.5
78.95776	1.3
87.00731	4.9
88.00278	6.4
88.01105	0.7
88.03896	1.1
88.98679	18.1
89.02314	100.0
90.02631	1.0
96.75584	0.7
98.20593	0.5
126.75119	0.6
146.80612	0.6
152.99512	1.3
171.10114	1.1
277.21692	1.2
314.31680	0.6
322.58231	0.6
344.84457	0.6
451.69421	0.7
462.66623	0.6
513.57336	0.6
515.16553	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	603.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	1.1
61.09363	0.2
61.98711	0.4
67.70565	0.2
71.01255	0.9
71.29425	0.3
73.02818	0.5
78.95788	0.2
82.17522	0.2
83.01250	0.2
85.02832	0.4
89.02348	0.3
96.95910	0.2
98.04688	0.2
101.02338	0.4
113.02316	0.4
120.53392	0.2
126.05580	0.2
127.04993	0.2
145.06097	0.6
161.04526	0.3
266.84451	0.2
282.46713	0.2
293.85608	0.2
457.29721	0.3
479.02774	0.2
501.31039	0.3
603.00073	0.2
603.35632	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	603.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34582	0.5
52.21567	0.4
59.01250	100.0
60.01598	0.7
61.98704	1.3
70.75892	0.7
70.76236	0.9
71.01254	1.7
72.99187	0.7
75.00761	1.0
85.02843	0.5
99.00715	0.4
110.61674	0.4
113.02317	0.6
153.40717	0.5
161.04517	0.8
199.60249	0.4
274.20383	0.5
280.90173	0.4
342.22510	0.4
388.35800	0.5
483.30002	1.7
488.02325	0.4
501.30920	2.7
501.71396	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	601.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30069	0.3
61.98690	0.8
70.62996	1.0
76.06609	0.3
79.70784	0.3
79.95604	34.1
80.96386	1.2
95.95103	10.7
96.95885	100.0
97.95785	0.4
110.97472	4.0
121.02807	0.3
128.03404	0.5
134.03569	0.4
136.01570	0.7
141.95667	1.2
149.99818	1.0
150.03113	0.4
151.03902	1.7
165.05453	0.5
191.07088	0.6
271.02786	0.7
327.12277	0.5
356.48169	0.3
409.09576	1.6
421.08334	0.4
423.07413	2.0
424.08044	0.8
437.09058	3.3
438.10010	1.7
439.10657	8.0
440.11035	1.2
504.00412	0.4
509.45566	0.4
601.15936	82.5
602.16315	13.3
602.86505	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	601.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03321	5.9
57.82400	0.3
58.00468	0.6
59.01250	41.8
60.01574	0.6
61.98699	0.5
63.65499	0.3
63.82775	0.4
67.01773	0.4
67.96863	0.3
68.99686	0.8
69.03318	1.2
69.24654	0.3
71.01253	29.5
71.37574	0.7
72.01595	0.8
72.99181	6.3
73.02821	5.2
73.26239	0.3
75.00745	36.5
78.95760	0.4
81.03298	0.5
83.01265	3.0
84.02037	0.6
85.02822	41.0
86.03178	0.8
87.00752	9.3
89.02322	2.9
95.01277	4.7
96.95882	0.5
97.02814	1.5
99.00758	13.2
99.04392	0.7
101.02315	5.7
103.00234	1.0
111.00775	1.8
112.01558	0.7
113.02328	40.4
114.02653	1.2
115.00270	3.2
116.01050	0.7
117.01842	1.8
119.03418	0.4
125.02319	0.7
127.03916	0.4
129.01828	1.9
131.03320	0.8
137.63081	0.4
143.03331	0.6
157.01321	2.0
159.02855	0.7
161.04453	2.9
171.10159	1.2
173.04396	0.5
175.02394	7.3
185.77762	0.4
201.04048	0.8
211.13353	0.8
377.07202	3.9
383.24301	1.0
395.08066	0.6
497.27609	2.6
541.26428	0.7
601.28613	100.0
602.28870	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	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.9
59.61262	0.4
69.91525	0.4
70.83389	0.4
87.00748	100.0
88.00273	12.1
88.01101	1.3
88.03919	1.4
111.50574	0.5
221.97112	0.4
229.79559	0.6
277.21719	4.3
553.23218	0.5
568.62567	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	600.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	12.7
59.01252	17.2
61.98701	6.8
64.49003	1.8
64.98741	1.8
71.01252	4.6
71.49421	2.4
72.00772	1.9
74.02338	22.7
78.95794	1.9
82.02828	2.9
85.02808	2.0
86.02338	11.7
86.98964	2.2
87.05513	4.1
92.73109	2.1
96.04412	2.1
96.95884	9.0
97.03947	2.2
97.98015	1.9
99.05501	20.7
100.00266	3.1
101.07053	2.8
102.05470	4.0
107.06122	2.2
109.03963	5.7
112.03935	2.9
125.03454	2.6
127.05038	4.0
128.03427	68.0
135.05528	6.8
143.04526	88.4
145.06070	3.6
146.04498	7.9
153.06616	5.7
166.09743	3.2
166.23126	1.9
167.04532	4.7
167.08142	3.3
170.03336	3.1
171.10127	2.9
179.04517	21.9
181.06076	2.2
185.05513	2.7
197.05595	3.2
210.08786	18.1
211.13310	4.2
254.07794	51.9
272.08871	100.0
273.09195	5.9
293.21198	2.8
307.41711	2.0
327.19901	8.5
438.24710	2.1
471.25717	3.8
515.25330	5.5
582.28534	4.6
600.29602	40.9
601.29364	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	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01130	0.4
57.03331	0.4
58.02848	15.0
59.01254	1.3
59.41299	0.5
61.98693	1.1
66.03368	1.7
70.02869	0.9
70.92767	1.1
71.01254	1.4
72.00780	1.4
72.97414	2.2
74.00575	1.5
74.02342	28.4
75.02692	0.4
80.03669	0.6
81.04444	2.4
82.02847	3.8
82.06503	0.4
83.02384	0.5
84.04423	1.0
85.02845	0.6
85.03981	1.0
86.02350	13.6
86.05981	2.4
87.04578	0.3
87.05507	5.8
88.03931	1.1
93.04492	0.6
95.02391	1.0
96.04415	1.2
96.95893	1.4
97.03943	3.4
97.07605	0.5
98.02361	0.4
98.05954	0.6
99.05516	24.5
100.00285	3.0
100.03878	0.5
100.05850	0.8
101.07078	3.6
102.05489	5.4
107.06045	1.7
108.04472	0.5
109.03951	4.9
109.07607	1.5
110.02337	0.7
111.03181	0.6
111.05518	2.9
112.03914	2.8
113.03456	0.9
113.04150	0.8
113.07083	0.4
123.05534	2.8
124.03937	1.3
124.07549	0.8
125.03431	3.7
125.07088	0.4
126.04266	0.5
127.05029	4.4
128.03426	76.2
128.15370	0.4
129.03758	2.4
135.05545	7.8
136.01546	0.4
136.05919	0.4
137.07109	1.3
138.05495	0.6
139.01448	0.7
139.05028	0.6
141.06589	3.4
142.04430	0.5
143.04524	100.0
144.04890	2.2
145.06071	3.8
146.04495	10.0
149.07118	1.0
151.05011	0.6
153.06601	5.5
155.04552	0.4
155.08171	1.5
160.00618	0.5
164.08144	0.7
165.12785	1.2
166.09749	4.2
167.04521	4.0
167.08170	6.4
169.06102	1.5
170.03239	2.2
171.04001	2.0
171.10194	1.5
175.01720	0.6
179.04543	23.9
180.04865	1.2
181.06219	2.6
184.10860	1.5
185.03848	1.1
185.05598	3.3
192.07730	2.8
197.05635	3.7
209.11797	0.8
210.08780	21.0
211.09096	1.0
223.13379	0.6
228.09825	2.3
236.06766	1.0
254.07799	51.5
255.08133	3.0
256.11337	2.0
272.08871	99.0
273.09158	6.3
286.04889	0.6
291.19641	2.6
304.06137	1.0
325.18445	5.0
326.18945	0.6
400.49783	0.5
469.23782	4.1
470.24185	0.8
474.99854	0.4
513.23157	0.8
580.27057	4.0
581.27600	1.2
598.28009	30.3
599.28619	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	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86362	0.5
58.02846	7.9
59.01244	1.6
61.98676	1.2
66.03349	0.8
70.02843	1.3
71.01237	0.6
72.00784	1.3
74.02345	18.6
81.04429	0.9
82.02901	1.1
86.02348	7.4
86.05975	0.8
86.98943	1.6
87.05516	3.1
90.00069	1.7
95.02409	0.6
95.91669	0.6
96.95894	0.8
97.03967	2.2
99.05513	16.6
100.00255	0.6
101.07117	2.7
102.05485	2.1
107.06059	0.8
108.16509	0.5
109.03947	2.1
109.07560	1.0
111.05530	1.3
112.03915	1.6
116.01640	1.6
122.66742	0.5
123.05514	1.7
124.03901	1.4
125.03428	1.7
126.01823	1.0
127.05019	2.5
128.03429	42.1
129.03723	1.5
131.83424	0.5
135.05536	5.8
137.07054	0.8
141.06609	3.3
143.04526	63.5
144.04828	1.5
145.06079	3.0
146.04495	5.6
153.06612	4.0
160.00645	16.0
166.09764	3.1
167.04555	4.1
167.08142	2.2
170.03229	0.9
171.04001	0.6
171.07697	0.9
177.03322	6.5
179.04549	13.9
181.06099	2.1
184.10818	0.7
185.05574	1.4
192.07669	0.9
197.05594	2.0
207.29836	0.5
209.11960	0.7
210.08774	12.2
212.25981	0.5
228.09836	1.0
229.63257	0.6
242.07790	1.5
254.07805	17.1
255.08058	1.5
272.08875	34.0
273.09134	1.8
288.06561	9.0
289.06754	0.7
291.19800	0.9
306.07639	100.0
307.07895	6.3
403.22498	0.6
500.07062	0.5
580.27167	1.0
598.28131	7.8
599.28143	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	597.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33834	0.3
58.02854	0.5
59.01247	3.0
61.98703	3.3
69.03315	0.3
70.52222	1.1
71.01255	2.0
73.02815	0.8
74.53258	0.3
75.00747	0.9
79.57397	0.3
81.03331	14.2
82.03645	0.4
82.95631	0.3
83.04893	42.6
84.05222	1.0
85.02821	0.4
89.02327	0.7
96.95888	1.3
100.07561	5.8
101.02294	1.6
102.89716	0.3
103.29077	0.3
107.01546	0.3
108.04431	0.6
108.61560	0.3
113.02303	0.5
124.88062	0.3
126.05477	1.1
134.03644	0.5
145.02849	0.4
145.04962	0.3
148.03983	0.7
160.01601	0.5
161.02367	0.4
161.04436	0.7
168.61427	0.3
175.03931	1.0
199.18086	8.3
207.14906	0.5
211.13408	0.9
224.17693	0.9
225.16028	10.7
226.14311	0.4
226.16339	0.5
243.17114	23.1
244.17418	1.6
269.09076	0.3
269.15036	1.1
301.10828	0.4
309.21771	1.2
353.20795	7.9
354.21167	0.6
371.21786	0.4
377.18124	0.4
425.35382	0.5
433.32126	0.4
448.10196	0.3
451.32800	2.8
452.32382	0.4
469.27078	0.8
469.33905	15.6
470.34064	2.3
533.61908	0.3
553.39709	0.5
579.37579	3.2
597.38672	100.0
598.39038	14.6
598.48914	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.5
59.01245	6.4
61.98712	4.9
68.51572	0.6
68.99664	1.7
69.03340	1.7
70.51632	1.8
70.52008	0.8
71.01247	6.0
72.99179	0.8
73.02816	1.2
75.00744	1.7
81.03333	8.9
83.01237	7.8
83.04909	0.8
85.02843	2.5
89.02316	2.1
93.03334	6.5
95.01241	2.1
95.04897	5.8
96.95918	0.9
97.02837	5.8
99.00740	1.5
99.04379	2.7
101.02312	2.6
107.01271	1.7
107.04919	3.8
108.02019	1.0
109.02815	3.9
109.06441	1.0
111.00733	1.0
111.04401	5.0
113.02295	3.7
115.00243	2.3
117.03343	2.2
119.03467	0.9
119.04913	10.2
121.02805	4.6
121.06451	1.4
122.03594	0.7
123.00732	1.7
123.04405	19.6
124.04808	0.9
125.02325	14.4
132.02071	0.9
133.01308	3.0
133.06506	1.0
135.04422	8.0
137.02341	9.1
137.05971	8.2
138.03078	0.8
139.03906	11.4
140.04222	0.9
141.05449	1.1
145.02852	5.3
145.06398	0.9
147.04430	4.5
148.03932	2.0
149.02296	1.8
149.05945	2.3
150.03146	0.9
150.05490	2.5
151.00252	1.6
151.03867	6.3
151.07526	0.9
153.05450	2.2
155.03459	1.0
160.01556	1.5
161.02315	1.2
161.05984	2.9
162.03093	0.8
163.00314	0.9
163.03893	3.4
163.07474	1.0
164.04715	1.5
164.62947	0.7
165.01845	8.2
165.05479	8.0
166.02594	1.1
167.03410	35.9
168.03654	1.8
175.03876	2.0
176.01064	1.9
177.01851	1.4
177.05466	2.4
179.03395	10.2
179.06979	1.9
180.04179	5.0
181.04948	2.8
189.05504	9.1
190.02623	0.9
191.03436	2.9
193.04980	5.1
194.04521	1.2
195.02995	0.7
195.06551	4.0
197.04472	4.9
205.04974	1.6
207.02989	0.9
207.06581	1.7
209.04492	31.7
210.04903	2.3
211.13354	1.7
219.02905	1.3
219.06546	1.1
221.04477	5.7
223.06070	1.6
225.07602	3.9
229.08727	1.6
231.06508	0.8
233.04507	1.6
235.06013	1.4
239.05542	14.0
249.04100	0.8
251.05592	4.6
263.05621	1.8
269.06723	2.6
273.07605	4.3
281.06689	1.9
283.10867	1.5
285.07794	1.5
293.06564	0.9
315.05069	1.0
315.08713	18.6
316.09012	1.9
326.07440	0.7
327.08688	8.4
328.09186	1.0
337.00601	0.6
339.08963	0.9
341.10223	0.8
342.11533	0.8
345.09760	7.1
354.07443	1.0
357.09772	100.0
358.10184	11.4
369.09781	4.3
371.11243	1.0
387.10855	75.1
388.11017	8.3
399.10770	4.5
411.10992	0.8
417.06247	1.4
417.11877	24.3
418.12225	2.8
429.11804	2.1
441.11780	1.4
447.13330	0.9
459.12936	9.6
460.13364	1.6
471.13031	1.0
477.14035	16.7
478.14468	2.4
489.13770	6.6
507.15149	2.0
524.65027	1.4
537.32806	2.2
579.16949	1.9
597.17737	9.4
598.19006	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
70.02142	1.1
70.02536	1.0
72.92195	0.5
78.95776	77.7
87.00723	0.7
96.96842	16.5
98.20524	0.7
108.70129	0.5
111.27814	0.6
126.31153	0.4
143.85310	0.5
150.97908	1.5
152.99489	68.0
153.99799	1.3
171.00539	1.1
213.54640	0.4
223.00122	2.1
241.01149	34.7
242.01495	1.3
247.28900	0.5
259.02304	0.6
279.23279	64.1
280.23581	7.5
315.04865	10.7
415.22552	5.9
416.22928	0.8
433.23355	1.3
442.06989	0.6
516.64642	0.5
595.28894	100.0
596.29242	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	597.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03273	2.3
51.73154	2.6
59.01239	10.8
60.54055	2.2
62.38173	2.2
65.00195	6.5
71.01257	4.3
71.49268	3.9
83.01293	5.3
87.00747	2.8
89.02306	6.3
96.95908	3.2
101.02316	3.8
105.58972	2.8
107.01273	14.5
108.02128	2.7
109.02802	3.0
121.02902	4.3
125.02292	3.7
132.81534	2.7
136.01527	4.5
136.93367	2.4
145.02859	3.5
147.00783	5.8
151.00288	53.9
151.03767	2.5
153.01825	2.6
161.02296	2.8
166.02594	5.2
167.03419	3.8
169.01291	3.1
175.00221	4.5
178.99800	16.7
181.04933	3.3
183.04419	2.8
192.53824	2.4
199.03905	4.9
227.03482	6.0
236.25194	2.7
241.58018	2.4
243.02963	5.0
255.02957	4.2
271.02481	74.3
272.03015	10.1
273.04013	4.9
299.01910	37.4
300.02744	38.7
301.03314	10.3
312.02689	3.0
331.04578	100.0
332.05005	8.8
349.05667	15.6
399.14499	5.3
503.08130	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	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.5
57.03319	1.4
59.01249	100.0
61.98693	9.0
69.23844	3.2
69.24258	11.5
71.01257	19.0
73.02807	6.4
78.95764	2.7
83.01259	3.7
85.02813	12.2
87.00726	2.0
89.02316	3.2
95.01212	1.7
97.02843	1.7
99.00758	3.8
101.02346	10.0
111.00746	2.9
112.01556	1.6
113.02321	11.6
123.10506	1.3
125.02287	2.3
126.18349	1.5
143.03391	3.0
152.99409	1.6
160.01576	2.2
161.04388	1.9
175.03876	3.8
185.15404	2.7
203.53816	1.4
215.19215	1.5
233.15439	1.5
273.02667	1.4
299.25900	4.0
321.60831	1.4
340.97235	1.4
345.30038	5.5
447.23117	1.5
489.34305	50.9
490.34637	6.8
507.35376	32.5
508.35596	4.8
549.36871	3.7
593.28363	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	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49511	1.1
54.04983	1.0
54.77695	1.3
57.03318	1.4
59.01249	100.0
61.98722	1.8
69.24664	3.6
69.25076	9.2
71.01250	15.6
73.02808	5.2
74.02356	6.9
78.95763	2.2
83.01254	2.9
85.02836	9.2
89.02309	2.8
95.01224	1.8
96.95882	1.8
98.19761	2.3
101.02335	6.5
102.76470	1.2
113.02312	7.9
116.03403	5.6
134.57114	1.2
161.04472	3.1
170.40361	1.3
286.90076	1.4
299.25580	1.2
345.30106	3.5
489.34320	47.0
490.34625	8.0
507.35306	20.5
508.35992	2.8
515.57751	1.5
543.84131	1.3
549.36212	3.4
550.32050	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	594.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74456	0.7
55.33976	0.6
59.01250	24.9
61.98701	5.5
67.32784	0.7
71.01257	1.1
78.95776	11.1
79.95596	1.5
80.96399	11.8
82.96010	0.7
84.86163	0.6
87.18957	0.6
94.97970	2.1
101.02316	0.9
113.09614	2.0
134.97522	1.1
135.64426	0.7
145.06145	1.0
148.99103	1.1
152.99525	3.2
164.98570	1.2
168.04198	1.8
179.14371	1.9
181.12280	0.8
182.99664	0.7
195.13847	17.9
196.14183	1.0
206.99725	0.9
224.06870	1.1
225.00693	2.4
226.00958	0.8
229.14410	0.9
242.07979	4.4
273.86444	0.7
277.21722	17.0
278.22028	1.7
295.22781	100.0
296.23163	9.7
298.18945	0.7
310.24301	0.6
428.96005	0.8
449.23032	1.0
520.30408	63.9
521.30627	9.3
594.26611	17.0
594.34943	1.2
595.26709	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	595.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23627	0.8
58.46268	0.7
65.30474	0.9
71.01245	0.9
71.48724	0.8
78.25909	0.7
79.95609	23.8
88.29700	0.8
95.95103	9.0
96.95888	100.0
110.97450	5.3
122.17516	0.8
146.04379	1.0
163.04028	0.8
164.98482	0.9
167.00095	2.7
177.01633	1.0
255.84492	0.9
289.03775	1.2
485.07318	3.9
500.09705	4.5
515.12286	97.0
516.12616	14.1
559.87152	1.1
583.30865	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41811	1.0
54.88941	0.9
56.64679	0.8
57.41521	0.9
58.00459	2.6
59.01250	54.1
61.98691	1.8
63.98042	0.8
69.15981	10.0
71.01254	31.1
72.01607	1.0
72.99187	3.4
73.02784	1.0
75.00731	2.4
83.01251	2.7
85.02829	6.9
87.00758	2.2
89.02318	24.3
95.01272	2.0
96.95876	2.5
98.20542	1.4
101.02323	15.7
111.00748	1.8
113.02326	9.2
119.03394	10.3
119.04886	1.1
123.00727	2.5
131.04922	1.1
133.02826	0.9
137.02350	2.1
138.03059	2.1
139.00250	2.5
143.03403	1.3
146.03586	1.0
147.04439	2.4
149.04671	0.9
151.00288	8.1
151.77502	0.9
153.01854	7.1
153.05457	2.1
158.03630	3.7
159.04399	3.5
160.05188	6.2
161.02303	1.6
161.04466	1.5
164.04645	0.8
166.02608	18.2
173.02263	1.0
173.05975	5.7
174.03099	3.5
174.06659	1.0
175.03932	10.1
175.07568	5.5
177.01909	1.0
178.02652	1.4
179.03348	1.2
179.05598	1.7
181.04982	35.3
181.06578	2.1
182.05338	1.5
187.03902	1.9
188.04652	3.4
189.01860	1.2
189.05482	2.1
190.06264	8.2
197.11772	4.4
201.01830	1.2
202.02596	3.8
203.03436	11.9
203.07072	1.1
204.04089	2.5
205.04884	0.9
205.08629	6.6
217.05093	6.8
218.05750	12.1
219.06517	1.4
232.07379	1.3
233.08159	24.6
274.49570	0.9
280.03561	1.2
299.08984	1.2
309.04111	1.4
311.08896	1.0
324.06116	1.1
325.03336	2.1
327.08755	1.7
339.08701	3.8
355.08167	8.5
370.10602	5.9
385.12939	54.3
386.13266	5.6
397.13132	7.1
413.14731	1.0
415.14035	17.3
416.14230	2.0
535.31146	1.0
548.19000	1.4
580.18073	1.2
595.20270	100.0
596.20630	17.0
596.29492	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.41033	0.6
62.96301	0.7
64.20867	0.5
69.19991	3.6
69.20410	3.0
72.89017	0.6
78.23673	0.6
78.95772	69.3
79.89220	0.7
93.54388	0.6
96.96844	14.0
99.80992	0.6
108.34884	0.6
115.18089	0.5
150.97928	1.0
152.99490	100.0
153.99837	1.4
171.00568	2.6
223.00066	9.3
224.00430	0.9
241.01169	25.1
242.01512	1.0
259.02200	2.0
279.23291	61.4
280.23587	5.3
312.72787	0.7
315.04840	15.7
316.04999	1.2
333.06116	1.2
394.44806	0.8
574.97052	0.8
595.28900	73.3
596.29211	13.8
597.73193	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	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08708	1.1
53.29690	1.1
55.01741	1.9
57.03317	1.3
59.01248	100.0
60.01573	1.9
61.98687	1.2
69.24747	1.5
69.25153	10.8
71.01254	17.6
73.02809	4.9
78.95763	3.5
83.01260	3.8
85.02821	13.4
87.00712	1.5
88.03901	1.3
89.02316	4.1
95.01254	2.9
97.02827	2.5
99.00766	2.6
101.02322	11.6
113.01698	1.1
113.02329	9.9
125.02319	2.1
137.09612	1.1
143.03392	3.7
143.96938	1.2
152.99403	1.8
159.02901	1.4
161.04427	2.4
168.71841	1.0
194.32637	1.3
207.77191	1.2
207.98297	1.2
299.25940	2.9
324.08423	1.2
345.30151	7.1
489.34305	62.2
490.34744	9.3
494.48672	1.4
507.35287	36.7
508.35577	6.3
549.36566	3.6
572.58319	1.3
594.30402	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	593.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.6
59.01250	100.0
60.01577	1.8
61.98700	7.8
64.98013	1.2
66.05415	1.2
68.45970	1.3
69.36824	4.9
69.37247	6.1
71.01250	16.6
73.02831	5.1
77.33037	1.3
77.99603	1.3
78.95793	1.5
83.01251	4.3
85.02825	11.9
85.90395	1.2
87.00739	3.1
89.02314	3.9
91.70329	1.3
95.01244	1.2
96.95908	1.5
97.02826	2.0
99.00768	2.0
101.02315	9.6
107.57934	1.2
111.00739	1.1
113.02336	8.4
115.95331	1.4
119.03333	1.4
125.02312	2.3
143.03363	2.2
160.01585	2.4
161.04596	1.4
175.03932	2.1
299.25894	2.0
345.29968	6.0
400.31186	1.4
465.26138	1.5
489.34323	51.1
490.34647	10.2
507.35358	33.0
508.35529	4.9
549.36261	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	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26884	0.6
52.94825	0.7
53.70993	0.7
57.01704	0.6
59.01257	1.0
61.91987	0.6
66.94294	0.7
67.95916	0.6
71.26449	0.9
77.70201	0.6
78.95773	66.8
96.96838	13.1
96.97432	1.1
99.76910	0.7
103.37302	0.7
150.97968	1.0
152.99484	100.0
153.99835	1.7
171.00545	2.8
213.54755	0.7
223.00058	12.2
241.01138	26.8
242.01532	0.8
259.02176	1.4
277.21719	51.6
278.22003	5.0
297.75934	0.6
315.04868	15.8
333.05795	1.3
335.48413	0.8
518.70477	0.8
537.33868	0.8
542.56580	0.8
593.27289	80.8
594.27594	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.0
69.09145	0.5
69.29977	5.0
76.75667	0.5
78.95776	94.2
78.99217	0.5
86.24682	0.5
96.96840	18.5
121.02840	2.2
127.87034	0.6
134.98451	0.7
136.06081	0.5
150.97899	1.2
152.99490	76.5
153.99918	0.9
171.00548	1.1
172.71443	0.5
176.89288	0.6
187.13876	0.6
198.31152	0.5
209.04573	0.8
223.00061	2.1
227.31245	0.5
241.01149	34.0
242.01503	1.2
259.02060	0.8
277.21713	56.3
278.21970	4.9
287.23621	0.6
297.53104	0.5
315.04843	10.7
316.05228	0.7
333.05954	0.7
357.53418	0.6
413.20883	6.6
414.21588	0.6
431.22000	1.5
531.90582	0.6
593.27289	100.0
594.18744	1.1
594.27618	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.2
70.99123	1.3
72.44733	0.6
75.00745	1.8
78.95779	65.6
90.31175	0.7
91.03607	0.6
96.96844	12.4
96.97438	1.1
150.97990	1.5
152.99503	100.0
153.99846	1.8
171.00488	2.9
223.00095	11.6
230.54703	0.6
241.01147	25.2
259.02209	1.9
277.21744	48.8
278.22089	5.1
313.53748	0.8
315.04849	16.1
316.05130	1.1
333.06018	1.2
441.25522	0.7
526.42401	0.6
593.27307	80.4
594.27600	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	593.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.6
57.03333	0.5
58.00451	0.8
59.01249	42.5
60.01574	0.5
61.98695	3.1
69.03330	0.3
69.60082	1.6
69.60507	1.0
71.01252	11.6
72.99196	0.8
73.02824	0.9
74.02362	0.8
76.17973	0.4
83.01260	1.2
85.02817	3.0
87.00758	0.7
89.02313	7.3
91.01790	0.4
93.03342	0.7
95.01260	1.0
96.95891	1.3
99.00753	0.9
101.02322	5.9
102.76660	0.4
107.04916	0.4
109.06481	0.7
113.02319	4.7
119.01290	1.1
119.03377	3.5
119.04871	0.4
121.02831	1.7
135.04408	0.5
147.00786	1.0
147.04396	0.5
148.01534	0.6
149.02350	10.8
150.03030	1.5
152.01030	0.5
161.02306	0.5
163.03926	0.8
163.11179	4.7
164.04694	6.9
165.01915	0.5
165.05255	0.8
173.04338	0.4
175.00264	8.1
176.01067	6.6
177.01802	0.4
179.07085	0.8
190.02626	18.0
191.03365	6.6
193.01457	0.5
193.49010	0.4
194.02155	0.5
197.04388	0.4
198.79797	0.4
205.05005	16.3
206.05424	1.2
207.08368	0.7
207.10197	7.4
208.03731	0.6
208.10487	0.5
208.13571	0.4
209.04462	0.9
223.06073	4.9
223.29176	0.4
224.06419	1.0
225.06581	0.4
279.47327	0.4
369.11075	0.6
369.15475	3.1
387.16583	100.0
388.16934	10.4
593.22235	10.0
593.31836	0.7
594.22711	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	593.2636
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.72290	0.6
57.14461	0.6
59.01233	2.5
61.98702	47.3
62.31219	0.6
63.96087	1.5
69.03320	0.7
70.71293	1.3
70.71631	1.0
71.01253	4.9
73.02816	1.5
74.95850	0.7
75.21292	0.7
78.95769	1.3
78.98462	5.0
79.95605	25.4
80.96389	50.6
81.03314	1.2
82.95985	1.0
85.02803	2.1
87.00744	2.5
94.97961	12.3
96.95893	1.6
97.02850	0.9
98.16699	0.6
101.02299	3.2
106.98013	3.1
122.97451	4.6
125.02322	2.8
134.97520	3.4
136.99063	0.9
148.99037	4.9
152.98508	6.4
164.98552	7.9
178.99997	0.7
182.99608	1.4
183.13792	0.9
206.99612	3.1
225.00674	16.1
226.00993	0.9
239.72900	0.7
241.00182	1.4
243.01807	1.7
295.22791	1.2
299.04376	2.8
371.06027	0.9
399.09235	0.8
413.11389	1.0
455.16068	1.6
495.19321	1.1
578.79193	0.8
593.26282	100.0
594.26532	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03325	0.3
58.00473	0.7
59.01251	39.0
60.01588	0.5
61.98689	0.2
69.03321	0.2
69.22614	2.0
71.01254	9.9
72.05523	0.2
72.99184	0.8
73.02833	0.7
75.00748	0.2
78.49162	0.2
83.01267	0.8
84.73804	0.2
85.02811	2.4
85.03210	0.2
87.00732	0.3
89.01796	0.3
89.02312	7.8
91.01760	0.4
91.79857	0.2
93.03333	0.4
95.01277	1.1
96.95908	0.6
98.19803	0.4
99.00755	0.3
101.02322	6.4
107.04907	0.2
109.06535	0.3
113.02329	3.9
119.01282	1.0
119.03392	2.6
120.01157	0.2
121.02853	1.9
124.01841	0.2
125.02327	0.2
132.02083	0.4
133.02840	0.3
135.04401	0.4
145.10080	0.2
147.00777	0.6
147.04443	0.5
148.01599	0.3
149.02350	9.2
150.03137	1.4
152.00995	0.3
163.03934	0.5
163.11192	5.0
164.04689	6.0
164.11516	0.4
165.01863	0.3
165.05327	0.5
175.00284	6.6
176.01070	5.7
177.01744	0.7
179.03447	0.2
179.05600	0.2
179.07100	0.7
181.85469	0.2
190.02637	14.6
191.03406	5.6
193.01376	0.5
194.02029	0.3
205.05002	13.1
206.05473	0.7
207.10199	7.9
207.12215	0.4
208.03705	0.7
208.10530	0.2
209.04453	1.1
223.06033	3.6
225.11263	0.4
237.07654	0.4
247.06209	0.3
264.81354	0.2
369.11215	0.4
369.15506	4.0
370.15848	0.5
387.16595	100.0
388.16928	9.4
449.93939	0.2
458.79422	0.2
519.18982	0.5
528.58502	0.2
549.29346	0.5
561.19794	0.4
593.22443	10.8
594.22797	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	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46056	0.8
59.01245	4.6
61.98703	100.0
67.00323	0.7
71.01261	1.3
71.49591	0.6
75.03085	0.7
78.95760	1.3
78.98432	1.3
79.95619	2.0
80.96389	10.5
94.97973	2.8
152.98506	1.7
164.98598	1.3
225.00723	3.8
247.71289	0.8
282.05704	0.7
284.55856	0.8
293.21378	1.1
489.35266	0.8
513.09448	0.8
518.29156	1.0
553.03497	0.9
592.16357	1.0
592.24957	3.6
593.26300	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46221	1.1
57.03317	3.9
58.05074	1.1
59.01248	24.9
61.98704	18.2
69.84714	5.8
71.01260	1.9
78.95775	11.1
79.95618	2.0
80.96395	12.6
94.97968	2.4
96.95908	1.3
113.09607	14.4
121.02825	1.8
139.11224	1.7
146.89777	1.0
149.09564	1.5
152.99492	4.1
164.98491	1.8
167.10664	2.8
168.04250	2.6
171.10130	2.6
177.12769	2.3
179.10645	2.6
195.13812	3.4
206.73657	1.1
224.06882	2.0
225.00734	1.5
242.07968	6.2
249.22197	3.3
275.20169	6.8
293.21228	100.0
294.21585	10.8
307.22827	13.8
319.04230	1.1
329.56277	1.1
382.59503	1.1
392.16165	1.1
518.28882	47.8
519.29120	6.0
532.30457	9.0
592.24927	3.4
593.26312	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	593.151
Annotation	Datiscin
Peak:m/z	Relative Intensity
59.01260	2.0
61.98694	0.3
63.02267	0.7
65.00201	0.6
69.25496	3.0
83.01269	0.8
85.02816	0.5
89.02322	0.7
96.95892	0.5
101.02299	0.7
107.01273	1.3
109.02812	0.4
113.02298	0.5
119.03450	0.3
121.02822	0.4
123.07915	0.3
132.02069	1.2
135.00758	1.0
151.00249	2.3
152.00958	0.3
163.00298	1.2
164.01007	0.5
165.01859	0.4
167.04926	0.4
167.99074	0.3
177.01822	0.3
178.99774	1.4
183.04404	1.3
185.05937	0.5
187.03864	0.4
199.03983	0.4
200.04626	0.5
211.03972	2.1
213.05479	0.4
227.03445	42.7
228.03775	3.4
229.04939	1.6
239.03465	1.2
241.05124	0.3
255.02957	77.3
256.03464	9.1
257.04465	1.4
273.11090	0.5
283.02414	2.0
284.03247	100.0
285.03836	18.0
286.04413	0.9
324.08875	0.4
325.02634	0.3
327.05045	0.9
417.17657	0.6
429.08240	2.2
431.19162	0.5
447.09219	0.5
473.11145	0.4
593.15082	73.1
594.15436	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	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.1
59.01252	100.0
59.73569	1.3
60.01589	1.5
61.98705	4.3
70.36302	3.0
70.36696	3.4
71.01254	26.6
73.02826	10.0
75.03446	1.3
83.01264	4.6
85.02824	10.3
87.00773	1.9
89.02309	8.9
95.01245	2.7
96.95928	1.6
99.00771	2.6
101.02331	19.5
111.00760	1.3
113.02335	17.3
119.03409	4.4
121.10144	1.7
125.02294	2.6
131.03433	1.6
134.93108	1.4
143.03346	2.2
159.02892	1.5
161.04517	6.8
179.05663	1.4
185.15451	1.7
189.92993	1.4
215.79681	1.9
239.19931	1.4
280.98318	1.3
347.20758	2.5
487.32883	23.3
488.33020	4.9
505.34131	12.5
506.34088	1.7
529.30042	2.2
547.31250	38.2
548.31409	7.4
591.34412	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	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69609	0.3
54.26173	0.3
59.01251	0.6
61.98701	100.0
69.72819	0.3
71.49718	0.4
71.67043	0.3
78.07437	0.3
78.95787	1.6
80.96383	1.7
85.06445	0.5
85.42641	0.3
94.97992	0.5
152.98535	0.6
163.17104	0.3
164.98698	0.3
178.68300	0.3
199.13223	0.3
214.04948	0.5
225.00748	0.4
309.20694	4.1
395.27975	12.3
396.28287	1.5
590.08417	0.3
592.25018	0.9
592.32867	2.3
593.25287	1.4
593.34595	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	591.2479
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
59.01249	5.8
61.98700	3.5
63.96100	0.8
68.20969	0.6
69.03334	0.8
71.01254	6.9
72.99185	0.9
73.02819	1.3
78.95768	2.6
78.98452	4.6
79.95602	10.9
80.96387	58.6
81.03326	0.9
85.02824	2.8
87.00731	2.6
89.02300	0.7
94.97387	1.1
94.97961	13.5
94.98569	0.7
95.01267	0.7
96.95881	1.5
97.02814	1.3
99.00796	0.8
101.02311	2.7
106.97963	2.3
113.02321	1.3
122.97463	5.9
125.02307	3.0
125.86287	0.5
127.03900	0.6
134.97467	3.2
135.48299	0.5
136.99034	1.3
143.03374	0.8
148.99052	6.1
152.98528	7.0
164.98541	10.6
165.12840	0.8
166.72021	0.5
182.99626	2.9
198.33974	0.7
206.99580	3.4
210.51736	0.6
225.00684	18.3
226.01103	1.0
243.01788	1.9
268.97729	0.6
273.18625	0.8
281.62207	0.6
291.19669	1.6
292.19751	0.9
293.17599	1.1
299.04324	2.6
355.13162	0.7
429.17316	0.9
591.24768	100.0
592.25092	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
69.24010	3.7
69.24417	14.8
71.01259	19.2
72.99194	2.1
73.02818	4.1
74.02344	7.5
78.95787	2.3
83.01228	2.1
85.02850	8.9
87.00748	3.9
89.02360	4.0
96.95870	3.9
99.00721	2.1
101.02328	10.5
113.02308	8.8
116.03424	6.6
119.03352	2.5
161.02374	2.3
161.04507	6.1
213.18556	2.4
237.04350	2.3
389.49371	2.0
408.79639	2.5
469.31580	5.5
487.32745	49.1
488.33093	7.2
505.33817	12.6
506.34415	3.5
548.30139	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	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55879	2.7
59.01249	100.0
71.01252	19.4
72.28052	2.6
75.78034	3.7
83.01270	4.6
85.02808	11.4
99.00728	3.6
101.02316	13.2
113.02314	13.1
154.93097	3.0
160.32141	2.8
161.04420	9.3
233.04277	3.2
237.15593	3.5
343.28851	4.0
347.20444	4.2
457.24146	3.1
474.94717	3.1
487.32852	47.6
488.32773	5.9
505.33829	20.2
547.34637	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	591.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
58.00463	4.8
59.01251	100.0
69.03328	2.0
69.41138	5.5
69.41573	5.4
71.01250	69.3
72.99184	5.0
73.02823	1.9
75.00763	1.7
77.28613	1.2
83.01269	4.5
85.02810	13.5
87.00752	5.1
89.02316	74.9
95.01284	4.6
95.04914	1.8
97.02827	1.6
97.06528	1.3
99.04396	8.0
101.02326	39.3
111.04387	2.4
113.02325	33.8
119.03387	32.5
121.39777	1.2
125.05957	1.3
131.03409	3.8
135.04449	2.6
143.03410	6.6
149.04472	1.9
157.06522	2.2
159.08038	1.5
161.04492	9.6
161.13254	30.7
169.10158	1.5
179.05536	26.1
185.09680	2.3
185.13269	4.8
187.11215	49.3
188.11555	2.7
203.14381	2.5
205.12288	72.9
206.12653	4.6
229.12300	20.0
230.12529	1.8
231.10283	3.1
247.13457	6.2
249.11305	77.8
250.11665	4.7
250.67023	1.5
250.73611	1.4
273.11475	1.9
291.12369	4.8
351.14462	4.7
385.18658	17.7
411.16562	18.3
412.16925	2.5
429.17642	68.3
430.17902	8.3
591.22711	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	591.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
58.00462	1.6
59.01252	34.8
70.80692	1.3
71.01256	21.3
72.99171	1.4
73.02820	1.1
73.74284	0.5
79.05383	1.1
81.06980	0.6
83.01250	1.6
85.02826	4.1
87.00755	0.9
89.02318	23.8
95.01264	1.5
95.04886	1.1
98.69489	0.4
99.04391	3.7
101.02316	14.4
105.07010	0.6
107.04914	1.1
111.04398	1.0
113.02328	12.3
119.03395	10.6
120.05725	0.8
125.02319	0.7
125.05944	0.5
128.04419	0.5
131.03371	1.0
133.02837	1.5
135.04381	1.1
143.03403	2.3
149.04446	0.8
157.06497	0.6
159.08084	1.1
159.11626	0.8
161.02374	4.7
161.04422	2.9
161.13257	12.6
162.13559	1.0
179.05563	5.5
185.13312	0.9
187.11201	10.0
188.11598	0.8
205.12277	24.2
206.12582	2.5
206.74786	0.5
229.12346	4.1
231.10173	1.3
247.13594	0.8
249.11296	54.6
250.11627	4.6
267.12250	0.6
273.11395	1.4
291.12372	2.2
351.14462	1.1
385.18799	1.6
411.16617	14.1
412.17081	1.5
429.17630	100.0
430.17963	11.2
471.18414	0.8
521.20416	0.5
531.20166	0.6
562.02325	0.6
591.23468	3.9
592.23615	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	591.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46322	0.6
55.01763	0.9
57.03331	1.2
58.00460	3.0
59.01252	68.3
59.98397	0.8
60.01574	0.9
69.31667	4.8
69.32092	1.0
71.01254	38.6
72.99175	2.7
73.02818	1.3
79.05396	0.9
80.54008	0.5
80.77829	0.6
81.06960	1.6
83.01250	2.3
85.02824	7.6
87.00750	2.0
89.02316	46.1
93.06982	0.6
95.01270	3.1
95.04909	1.0
98.19805	0.7
99.00741	0.7
99.04410	6.6
101.02321	22.4
107.04884	1.3
111.04407	2.0
113.02329	17.9
114.24548	0.6
119.03384	19.3
120.05681	0.8
125.02303	0.8
125.06023	0.8
126.44582	0.6
131.03401	1.6
135.04437	0.7
136.06969	0.5
137.29109	0.5
142.67413	0.6
143.03406	4.0
148.81795	0.7
149.04437	1.0
150.06848	0.6
157.06520	1.0
159.08049	1.3
159.11609	0.8
161.04448	5.1
161.09639	1.1
161.11948	0.9
161.13272	17.3
162.13593	1.2
166.05891	0.5
179.05525	16.3
179.07005	1.2
185.09573	1.3
185.13293	2.3
185.70367	0.6
187.11209	24.3
188.11555	1.9
201.12851	0.7
203.14357	0.8
205.12289	38.3
206.12579	2.4
229.12309	10.0
230.12605	1.3
231.10194	1.4
244.29282	0.6
247.13304	3.3
249.11302	66.6
250.11609	5.2
259.13376	0.7
273.11237	1.3
277.14444	0.6
291.12433	4.8
351.14548	2.2
385.18726	6.4
386.19052	0.8
411.16577	13.7
412.16998	1.9
429.17633	100.0
430.17978	11.8
471.18521	1.0
591.22949	12.5
592.23492	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	591.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
57.03315	1.6
58.00451	3.4
59.01252	89.5
59.98382	0.9
60.01594	1.2
65.03020	0.7
67.37455	0.7
69.03329	1.7
70.78735	1.9
71.01255	48.8
71.65174	0.8
72.99170	3.2
73.02818	2.2
79.05413	1.5
81.06974	1.2
83.01244	2.7
83.04832	0.9
84.04762	0.7
85.02825	10.5
87.00742	2.2
89.02318	53.7
90.02669	1.2
93.06978	0.9
95.01254	3.5
95.04881	1.7
97.02813	1.1
98.03658	0.9
99.04397	8.6
101.01643	1.4
101.02322	25.3
105.06966	1.6
107.04894	2.1
111.04351	1.1
113.02338	23.7
113.05987	1.0
119.03392	22.8
119.04252	1.3
120.05659	0.9
131.03366	2.1
135.04405	1.6
143.03400	5.4
143.35197	0.8
149.04453	1.6
153.87357	0.8
157.06474	1.9
159.07973	1.1
159.11627	1.2
161.04449	6.4
161.13269	27.9
162.13594	1.7
169.10088	1.6
172.08882	1.4
179.05540	14.4
185.09656	1.2
185.13222	1.8
187.11211	28.5
188.11546	1.9
193.66791	0.8
193.74744	0.7
203.14536	1.1
205.12280	45.7
206.12628	3.1
229.12212	6.3
231.10179	2.4
247.13373	1.8
249.11304	72.9
250.11621	6.6
273.11191	1.0
291.12570	4.6
351.14490	1.5
385.18719	7.0
393.15363	0.9
411.16611	23.3
412.16937	3.5
429.17645	100.0
430.18069	14.3
471.18774	1.0
591.23053	9.6
592.23090	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	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.4
60.01583	0.9
61.98701	100.0
64.63174	0.4
69.45664	2.5
69.46069	0.7
71.01237	0.8
72.49543	0.4
78.95784	0.7
80.96393	0.7
96.95841	0.4
97.02800	0.4
97.66917	0.4
98.20587	0.7
113.02329	0.4
211.55484	0.4
244.11087	0.4
291.19522	0.5
292.20233	0.5
591.25360	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	590.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20920	0.1
59.01244	3.5
60.01567	0.3
60.09648	0.2
61.98700	100.0
71.01270	0.2
71.29547	0.2
78.95782	0.4
103.20448	0.2
147.62460	0.2
176.79950	0.2
179.21623	0.2
241.52702	0.2
273.93164	0.2
278.71844	0.2
291.19733	0.4
293.20374	0.3
324.33707	0.2
356.21921	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	591.1721
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01251	1.1
61.98724	0.3
65.00193	0.5
69.49680	1.7
71.01254	1.5
72.99197	0.2
83.01279	0.3
85.02816	1.1
89.02335	0.3
89.02913	0.2
89.03848	0.4
90.58845	0.2
91.01792	0.9
91.05430	0.6
93.03320	1.3
95.01272	0.4
99.00740	0.3
101.02332	0.7
107.04942	0.5
108.02048	0.3
113.02338	1.1
116.76329	0.2
117.03324	0.7
119.01275	2.8
119.04895	0.7
121.02841	9.7
122.03250	0.2
123.04403	0.3
132.02052	1.0
134.03630	1.2
135.04408	3.0
137.02312	0.4
145.02827	0.3
147.00818	2.3
147.04401	2.5
149.02345	53.0
150.02705	1.9
151.03928	0.5
152.01062	3.8
161.02316	0.4
162.03168	0.4
163.03926	4.5
164.04698	36.2
165.01859	1.9
165.05054	1.8
166.02533	0.3
167.03427	0.6
169.05006	1.8
172.25876	0.2
175.00279	18.1
176.00758	0.8
177.01830	0.6
177.05386	0.2
179.07045	5.3
179.92070	0.2
180.04178	0.3
183.16603	0.2
189.01819	0.5
190.02634	47.6
191.03151	3.2
193.01346	7.3
194.01747	0.4
195.02928	0.4
205.04999	54.5
206.05377	3.6
207.02933	2.1
208.03708	18.9
209.04102	1.1
217.01375	0.9
219.06601	0.3
221.08217	0.5
223.06064	100.0
224.06392	6.5
232.03770	1.2
237.07381	0.3
247.06032	3.2
265.07144	0.6
325.09061	0.3
337.05618	3.2
352.07947	5.5
353.08417	0.7
367.10312	43.9
368.10641	3.9
385.11270	0.4
591.17108	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	591.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34578	0.8
57.03336	0.8
59.01252	12.8
60.20544	0.9
61.28145	0.9
61.98712	1.0
65.00190	0.7
68.99686	0.8
69.03334	0.8
71.01251	7.6
71.49413	1.1
72.99178	1.2
73.02823	1.8
73.27007	0.8
78.95818	1.2
85.02828	3.3
89.02316	3.9
91.01785	1.0
93.03325	2.2
96.95881	1.9
97.88097	0.7
99.00746	1.0
101.02306	4.7
101.38075	0.7
109.02804	0.8
113.02332	5.2
116.06988	0.8
117.03356	1.3
119.01293	2.8
119.04882	0.9
121.02843	12.5
132.02002	0.9
133.02846	2.5
134.03645	2.0
135.04428	4.9
137.02327	1.6
147.00748	3.1
147.04402	2.5
148.01637	2.2
148.05183	2.9
149.02350	52.5
150.02695	2.9
152.01039	3.1
153.05426	2.9
161.02354	9.9
162.03078	1.2
163.03915	6.7
163.07492	4.1
164.04692	37.9
165.01868	2.4
165.05077	1.2
167.03435	1.2
167.10696	6.2
169.05005	2.2
175.00269	18.5
175.03976	0.7
176.00679	1.0
177.01906	1.6
177.05357	0.9
179.03432	1.8
179.07040	6.0
179.10693	0.9
183.03111	0.8
187.11316	0.9
190.02635	48.5
190.52513	0.8
191.03090	3.6
193.01355	9.1
195.02852	1.1
203.03462	1.2
205.04996	55.3
206.05368	4.0
207.02977	2.6
208.03702	21.8
209.04163	1.3
223.06061	100.0
224.06386	6.7
231.17296	0.8
232.03867	1.0
243.15581	0.9
247.06081	3.5
249.11206	1.0
253.08752	1.3
337.05743	3.8
346.97974	0.8
352.07950	6.5
367.10306	41.3
368.10660	4.5
383.16840	1.4
429.17688	3.1
531.31635	3.4
549.32867	1.4
561.73492	0.9
590.31079	1.0
591.21234	1.5
591.33282	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	590.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39131	3.3
54.73455	3.7
59.01240	10.1
59.49209	3.2
61.30209	3.6
61.98702	77.5
67.86016	3.7
69.78436	5.9
69.78848	16.5
71.01254	34.4
72.64639	3.9
75.00735	13.5
78.95780	18.9
85.02804	13.4
98.19886	6.5
104.18373	3.8
113.02335	18.2
152.99440	13.0
161.97351	4.0
182.22021	3.7
267.07260	5.1
277.21634	37.0
279.23245	37.3
280.23660	5.1
335.87009	3.5
504.30844	9.1
505.25357	4.1
527.28589	100.0
528.28986	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	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14632	1.2
57.03325	1.3
57.32276	1.1
59.01252	23.1
61.98697	3.4
71.01247	5.0
71.49648	1.3
71.50065	1.4
78.95787	1.5
89.02313	4.2
90.58105	1.3
101.02323	4.0
103.90141	1.1
113.02272	2.4
113.09615	7.6
121.10094	2.5
127.98975	1.3
134.21359	1.2
161.04422	2.6
171.10201	6.9
183.13828	2.8
195.13849	1.2
239.79173	1.3
253.09283	19.1
275.20160	12.8
276.20541	1.7
293.21222	100.0
294.21588	8.9
345.95251	1.4
442.98282	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	589.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01588	0.8
61.98702	24.9
67.56201	0.4
69.49914	0.4
69.67984	0.4
70.64109	1.4
71.01247	2.5
73.02834	0.9
78.95799	0.5
83.01244	0.4
85.02837	1.2
89.02326	0.5
93.35339	0.4
96.95929	0.7
99.00792	0.5
101.02335	1.6
113.02351	1.3
118.89038	0.5
151.84454	0.4
155.08017	0.4
161.04518	1.1
171.10165	0.7
209.11929	0.6
248.74065	0.5
291.19730	0.9
292.20175	1.2
293.20258	1.3
343.31198	0.4
469.31714	4.6
470.32266	0.5
487.32672	2.4
529.33685	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	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56634	0.2
52.69321	0.2
60.93522	0.2
71.07259	0.4
71.07574	0.3
72.99181	1.6
73.06886	0.2
73.96500	0.2
75.00745	100.0
76.01069	1.2
78.95779	0.7
83.57597	0.2
92.14330	0.2
114.21072	0.2
123.00748	0.2
152.99345	0.2
216.55492	0.2
277.21744	0.5
350.94647	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	0.2
61.98684	0.3
69.23660	2.3
72.99175	1.4
73.73630	0.2
75.00745	100.0
76.01093	1.0
78.95777	3.0
79.62392	0.2
152.99474	0.6
178.94179	0.5
194.93761	0.6
254.95827	0.3
268.97354	1.2
277.21744	0.9
290.91183	0.3
455.15134	0.6
461.65311	0.3
505.25592	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	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94369	4.4
58.41272	4.3
59.00599	4.6
59.00957	6.5
59.01249	100.0
64.36649	4.3
70.39707	5.4
71.01241	17.4
85.02818	9.8
101.02324	8.3
108.36012	5.1
113.02312	7.9
116.20364	4.9
128.03473	7.3
161.48149	4.6
167.30147	4.7
169.71170	4.8
206.91679	5.3
355.79056	5.5
485.31317	41.1
486.30902	6.2
503.32129	9.5
589.32751	8.9
590.32202	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	588.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98362	0.6
59.01249	18.3
69.46823	5.7
71.01241	4.9
73.02829	1.6
74.02334	0.6
75.00723	0.7
85.02831	2.2
89.02334	2.2
96.95912	1.7
98.00051	0.7
99.00716	0.8
101.02314	4.5
113.02354	1.7
120.56480	0.7
124.41080	0.6
128.10693	0.7
130.08632	100.0
131.08937	4.5
136.24525	0.8
145.02837	1.9
146.08154	0.8
147.04486	1.0
161.02371	1.2
167.14311	1.9
173.02464	1.3
200.03429	2.2
210.35991	0.8
211.13318	1.7
229.14413	3.9
284.59952	0.7
336.19968	0.7
375.68948	0.7
425.73914	0.7
426.18613	2.1
430.95645	0.9
484.25513	2.1
502.26514	4.7
544.27637	79.7
545.27924	15.2
588.22626	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	589.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72266	0.5
55.01752	3.9
59.01252	6.2
67.01774	0.6
69.03325	100.0
70.03661	1.5
71.01241	5.1
71.49638	1.1
72.99171	2.7
73.02834	0.7
74.99020	0.6
78.90170	0.6
79.01758	1.5
85.02824	2.3
87.00768	0.7
89.02311	6.5
95.01253	2.9
96.95892	1.8
97.02829	20.8
99.00759	25.1
101.02335	2.8
109.62610	0.6
111.00775	0.8
113.02336	2.2
119.03383	2.5
123.00776	1.7
131.25977	0.5
132.02086	0.8
134.03622	1.9
141.01868	5.2
143.03287	0.5
150.05554	0.6
160.01588	2.5
161.04466	1.4
165.05566	0.6
175.03917	2.9
179.05559	3.9
179.10695	3.9
185.00850	84.4
185.11815	0.6
186.01250	3.0
187.07726	0.6
193.04991	1.3
203.01944	1.9
211.59300	0.5
223.09718	10.6
224.09827	0.7
403.16055	10.2
404.16360	1.1
589.17725	12.3
589.26776	0.9
590.17841	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	585.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65571	0.2
60.93642	0.2
61.77411	0.3
61.98704	100.0
67.96411	0.3
78.95779	1.2
98.97903	0.3
143.23659	0.3
152.99550	0.6
198.58504	0.2
206.68109	0.3
283.26437	1.4
284.60703	0.3
285.27148	0.5
429.23331	0.3
508.34283	0.9
585.30261	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	586.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.8
61.53274	0.1
61.70653	0.1
61.98700	100.0
62.98382	0.1
70.90222	0.2
71.01254	0.4
85.02860	0.1
88.98714	0.1
89.02321	0.2
96.95904	0.5
101.02376	0.2
107.60034	0.1
112.96405	0.1
116.92806	0.1
134.03673	0.2
137.09602	0.1
149.02402	0.2
151.11075	0.1
155.10701	0.3
193.05026	0.2
194.05376	0.1
217.10876	0.2
387.16565	0.1
424.22891	0.2
499.47440	0.1
526.35583	0.1
587.26941	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	587.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39702	3.3
59.00959	5.1
59.01250	100.0
60.00947	2.9
60.01579	3.5
61.98694	8.7
69.45940	22.9
71.01244	22.7
73.02830	4.6
85.02800	9.8
86.02413	3.0
87.00735	3.6
88.98682	6.8
89.02312	17.0
95.01272	5.0
101.02327	14.5
113.02325	20.3
116.92758	7.6
119.03393	5.6
127.05041	6.3
145.06136	4.9
159.14374	3.5
161.04459	6.3
177.67650	2.9
179.05585	4.2
254.77390	3.2
385.43066	3.6
483.29608	26.8
484.30017	5.2
501.30728	8.9
587.32483	10.5
587.50604	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	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	19.3
61.98682	1.8
71.01261	6.5
71.49366	0.8
71.88352	0.9
73.02795	1.2
83.01247	1.3
85.02821	1.8
89.02319	6.2
92.15389	0.9
95.77402	0.9
101.02325	5.5
106.94471	1.0
113.02324	3.8
119.03336	1.4
135.52785	1.0
148.08867	1.0
161.04414	2.0
165.12749	13.6
166.13017	0.9
171.10120	1.6
186.66144	1.1
197.11641	1.6
247.20642	6.1
253.09256	20.6
253.11708	0.8
254.09631	1.4
273.18582	3.9
291.19653	100.0
292.20023	9.5
316.67252	1.0
587.32880	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28122	1.2
52.62264	1.2
55.01759	1.3
59.01248	100.0
61.98702	5.6
67.46056	1.1
69.39560	3.4
69.39983	6.4
71.01255	28.0
73.02819	9.6
74.37151	1.2
79.95596	2.0
83.01270	2.7
85.02828	8.5
87.00752	2.3
88.98647	1.3
89.02315	13.2
95.01262	2.9
96.95888	11.3
99.00735	1.8
101.02314	13.2
103.00205	1.1
112.05367	1.2
113.02332	25.5
119.03387	5.6
127.04956	1.3
128.03484	1.9
130.34340	1.2
143.03400	2.6
145.06085	3.0
161.04459	7.4
179.05562	5.9
203.01979	2.1
219.19734	1.4
224.37939	1.4
301.03522	15.9
309.11581	1.1
371.13873	5.9
413.14832	3.7
457.13992	5.6
483.29672	19.7
484.29910	2.5
501.30615	9.2
502.31482	1.5
528.87213	1.4
543.31665	1.7
587.33118	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	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.5
61.98695	18.6
69.03319	1.4
70.90521	4.2
71.01250	5.4
73.02812	1.4
74.02330	1.3
75.00710	1.5
76.96582	1.3
78.95773	1.3
85.02811	2.2
89.02322	3.5
93.03320	5.1
95.01278	1.8
96.95889	12.4
99.00715	1.4
101.02320	3.5
102.24620	1.2
110.36675	1.2
111.64020	1.2
113.02310	3.4
116.92735	1.8
118.94067	2.0
119.03325	1.5
121.02845	11.5
122.03622	14.9
123.00805	1.4
123.04438	1.5
128.03430	1.9
132.02039	1.7
133.02824	1.9
134.03601	1.6
135.04422	9.1
136.01541	15.0
137.02341	3.1
137.63318	1.3
145.06073	2.2
147.04414	1.6
149.01244	2.2
149.02351	29.7
150.03125	95.1
151.00293	3.1
151.03929	14.6
151.11174	9.7
152.01050	2.3
161.02377	2.1
163.03923	3.2
164.04762	6.0
165.05478	100.0
166.02623	6.5
166.05818	4.8
167.03418	4.1
175.03893	5.1
177.01831	1.4
180.04155	3.7
181.04958	11.1
189.05397	3.1
190.06223	4.4
195.06544	55.1
196.06923	2.2
207.06612	1.4
207.10257	2.4
213.11285	5.6
269.71545	1.8
315.08508	1.5
327.08722	1.3
329.10297	3.8
342.11508	1.5
357.09476	2.8
357.13443	11.0
358.13824	1.8
359.43378	1.4
369.15442	1.6
373.12967	2.4
387.14215	28.2
388.14963	3.9
400.94315	1.6
497.07571	4.1
505.18695	7.4
511.01950	1.4
535.19708	41.3
536.20178	7.9
539.08612	1.4
583.20685	1.5
583.27600	21.7
584.27777	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	583.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42495	0.1
59.01244	1.1
60.01579	0.1
61.01681	0.2
61.98704	100.0
62.98402	0.2
71.50565	0.2
78.95782	2.5
78.96220	0.2
80.29636	0.1
80.96263	0.1
82.44147	0.1
88.98711	0.2
89.02293	0.1
96.96857	0.1
115.91987	0.4
116.91990	0.2
116.92790	0.3
117.91777	0.1
118.92585	0.1
152.99510	0.9
154.99951	0.1
171.00606	0.2
179.89157	0.3
180.89807	0.1
196.89453	0.3
197.89439	0.2
198.89453	0.2
236.92517	0.2
237.92598	0.1
238.92656	0.2
242.07822	0.1
281.24863	3.3
282.25208	3.6
283.25497	2.4
284.25793	1.4
301.17093	0.1
312.96338	0.1
506.32379	0.6
507.32907	0.2
508.33298	0.5
509.33469	1.5
518.53717	0.1
565.18231	0.1
583.18915	1.2
583.33575	0.2
584.18835	0.2
588.10516	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	583.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27274	0.2
59.01246	1.2
61.98701	100.0
62.98404	0.3
69.32698	1.1
78.95769	2.6
78.96162	0.2
79.01552	0.1
97.80217	0.2
115.91988	0.3
116.92766	0.2
127.83840	0.2
152.99483	1.0
179.89171	0.3
196.89438	0.5
197.89513	0.2
224.07056	0.2
226.07251	0.2
236.92606	0.3
281.24811	2.0
282.25192	2.0
283.25525	1.3
284.25815	0.7
376.62781	0.2
506.32443	1.2
507.33340	0.3
508.33167	0.7
509.33386	1.6
583.18896	1.3
583.33301	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	584.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82516	0.3
59.01250	1.1
61.98701	100.0
62.98421	0.4
65.28532	0.3
69.03349	0.3
69.57232	0.5
69.57624	2.1
71.01255	0.6
88.00269	0.4
88.98682	0.4
89.02316	0.5
96.95880	0.6
109.02769	0.4
115.06109	0.3
117.03391	0.3
118.22323	0.3
121.02855	0.3
128.03490	0.4
133.02864	0.7
134.03648	0.6
135.04404	1.0
137.02342	0.5
145.02855	0.6
148.03970	1.3
149.04819	0.5
149.06006	0.5
150.03180	0.5
151.00412	0.4
151.03932	0.8
153.01854	0.5
160.01546	0.4
161.02353	2.6
162.02730	0.5
163.06323	0.5
165.01839	2.7
165.05473	0.3
166.02692	0.4
175.03949	0.7
180.04213	0.7
181.05022	0.4
195.06548	1.8
210.05449	0.4
225.07687	1.3
261.17459	0.3
340.11868	2.8
358.13040	1.0
377.18259	0.5
378.18433	0.4
482.00552	0.3
518.17725	0.4
537.21991	0.5
540.21954	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	581.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35239	0.4
59.01247	100.0
60.01581	1.0
60.21100	0.4
61.34560	0.5
69.68932	2.8
71.01244	0.9
78.95787	0.5
79.95606	0.7
80.96381	6.0
94.97967	1.7
98.20538	0.8
122.97490	0.5
134.97484	0.7
148.98996	0.6
152.98540	1.2
164.98532	1.9
225.00636	2.1
232.87140	0.4
254.33826	0.4
277.21735	3.3
278.22412	0.4
279.23367	0.9
281.25238	0.6
291.23303	0.6
304.70450	0.5
310.94220	0.6
315.62747	0.4
339.82715	0.4
349.63217	0.5
458.30463	0.5
458.75714	0.5
570.12244	0.5
581.29816	4.4
582.30957	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	582.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	22.6
70.80202	1.3
71.01250	1.6
78.95775	23.5
78.98446	1.3
79.95589	2.1
80.96388	11.7
82.95947	1.2
87.00732	0.5
94.97954	2.7
106.97971	0.5
116.92767	0.6
122.97475	0.8
125.02335	0.4
148.99020	0.5
152.98488	1.4
152.99561	2.8
164.98521	2.0
168.04207	3.0
172.94041	0.7
200.78134	0.5
206.99663	0.5
224.06880	9.5
225.00771	2.1
226.00980	0.9
227.36711	0.4
242.07930	1.8
283.26416	100.0
284.26779	12.4
353.96661	0.4
508.34055	62.2
509.27374	0.8
509.34421	9.9
582.30267	19.2
583.20471	1.0
583.30078	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	583.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.7
61.98697	2.0
63.22041	1.1
71.01250	9.4
71.96031	1.2
78.95775	76.1
78.98469	4.6
79.95612	8.4
80.96391	57.5
81.03336	2.0
81.95181	3.1
82.95970	25.4
82.96808	3.5
85.02814	3.1
87.00745	3.4
94.97964	11.2
96.95879	4.6
96.96856	4.7
96.97553	6.7
97.02831	2.4
98.95477	4.2
99.92467	9.2
101.02312	3.3
106.97974	2.5
115.91966	31.6
116.91974	1.8
116.92740	22.6
117.92743	2.5
122.97433	2.6
125.02369	2.5
134.97476	3.8
136.97102	2.6
142.94234	1.1
148.99083	3.8
150.97925	3.1
152.98509	3.4
152.99519	28.6
154.98064	2.4
164.90410	2.2
164.98558	7.1
165.98874	1.8
166.98073	3.0
171.00526	3.6
172.95398	3.6
178.88354	4.2
179.89148	22.0
180.89960	19.3
194.87686	1.5
195.00601	1.3
196.89424	36.7
197.89363	2.3
205.90759	3.2
206.91498	3.4
225.00679	9.6
226.01054	3.5
227.00261	6.1
234.91005	1.7
235.91718	6.5
236.92601	18.8
252.92065	4.3
255.23262	21.1
270.92975	1.6
281.24838	2.9
282.25281	2.2
301.04349	1.8
475.15433	9.2
483.27109	6.9
492.15652	3.2
493.16687	1.6
535.17676	3.4
547.17383	3.5
582.30365	44.2
582.39453	2.7
583.19800	63.8
583.30206	100.0
584.20111	11.5
584.30231	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	583.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.5
61.98703	79.5
66.77652	1.2
71.01241	7.9
73.02819	2.4
78.95792	1.6
85.02834	3.9
87.00743	1.5
88.98685	1.7
89.02328	2.6
93.03334	5.3
96.95875	3.3
101.02335	5.6
112.99813	1.2
113.02344	3.9
116.92748	1.2
119.03413	1.3
121.02854	6.1
122.03637	9.7
127.05013	2.8
128.03398	2.0
133.02867	2.1
134.03615	2.3
136.01509	1.6
137.02406	1.4
145.02882	1.5
145.06087	4.6
149.02356	33.8
150.03140	98.7
151.03537	2.7
154.25812	1.3
160.01518	2.9
164.04716	5.4
165.05492	100.0
166.05826	3.7
175.03886	1.9
177.05493	2.9
179.07088	2.4
180.04210	7.9
195.06578	60.2
196.06874	2.9
240.19060	1.2
268.07370	3.1
307.09827	1.5
309.07629	2.2
311.09445	1.5
313.06570	1.4
323.09213	4.2
324.06473	1.8
325.10675	3.9
326.11337	3.1
327.08762	5.8
339.08682	9.4
339.12350	2.1
342.10950	4.9
354.11081	2.6
357.13440	20.4
358.13577	3.0
361.29520	1.9
369.13397	24.5
370.13641	2.4
387.14291	1.7
505.18732	7.2
506.18777	1.5
517.18665	2.7
523.34869	16.0
535.19720	40.5
536.20081	6.3
583.13702	1.8
583.21057	2.3
583.29071	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	581.3
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.7
63.96105	1.3
69.03339	0.4
71.01255	7.4
73.02810	2.1
76.74949	0.4
78.98460	6.7
79.20113	0.4
79.95603	10.2
80.96389	64.7
83.01219	0.5
85.02811	3.1
87.00745	2.0
93.94943	0.4
94.97961	15.4
96.95882	1.3
97.02814	1.3
98.20605	0.7
101.02319	3.2
106.97968	3.0
113.02361	0.6
117.04839	0.3
122.97469	5.5
125.02375	2.6
127.03931	0.6
134.97491	3.7
135.01860	0.4
136.99048	1.2
148.99066	5.4
152.98541	6.3
164.98544	10.1
167.00124	0.5
178.99983	0.4
182.99655	2.4
206.99637	2.4
225.00699	15.7
226.00964	0.5
234.36478	0.4
243.01813	1.2
281.24811	2.9
299.04453	3.0
394.12054	0.4
488.45111	0.4
581.29980	100.0
582.30334	18.7
582.39673	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	581.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78510	0.4
59.01242	0.9
59.83953	0.4
61.43161	0.4
63.96117	1.1
69.03315	1.0
71.01251	6.4
71.30434	1.0
73.02827	2.2
78.98460	5.5
79.95601	9.0
80.96392	67.4
81.03314	0.5
85.02820	3.3
87.00753	2.8
94.97964	16.0
96.95882	1.6
97.02835	1.5
99.00783	0.6
101.02322	3.1
104.93285	0.5
105.79029	0.5
106.97964	3.3
112.97181	0.4
122.97472	5.9
125.02330	2.7
127.03925	1.0
134.97478	4.9
136.99042	0.9
148.99040	5.5
150.91939	0.5
152.98558	7.5
157.18959	0.5
164.98547	10.3
167.00105	0.5
182.99593	3.4
197.05156	0.5
206.99675	2.7
211.38220	0.5
225.00710	16.0
226.01170	0.5
230.83569	0.5
243.01776	2.1
281.24927	2.8
299.04492	2.5
335.00986	0.5
497.29187	0.6
509.17551	0.5
581.30011	100.0
582.30328	20.7
582.39758	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	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99833	0.1
55.79296	0.1
59.01243	0.8
60.01559	0.1
61.01676	0.1
61.98700	100.0
62.98417	0.3
67.19226	0.1
69.24022	0.5
69.24451	0.3
72.36423	0.1
77.74414	0.1
78.95776	0.5
79.42071	0.1
82.92857	0.1
82.95988	0.1
89.78219	0.1
119.63548	0.1
122.08958	0.1
135.99438	0.1
140.35727	0.1
152.99475	0.5
194.16486	0.1
246.32452	0.1
273.48053	0.1
279.23270	2.9
280.23608	2.5
281.23920	1.7
282.24161	1.2
350.85919	0.1
383.82593	0.1
433.23636	0.1
504.30850	0.7
505.31653	0.3
506.31805	0.3
507.31677	1.2
567.16382	0.1
581.27655	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	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35937	0.4
52.56657	0.5
53.21535	0.5
55.01752	1.4
55.19398	0.5
57.03322	1.8
57.30227	0.5
58.00467	4.6
59.01249	100.0
60.01585	0.6
61.98711	0.6
66.47823	0.5
69.03306	0.7
69.28928	1.5
69.29343	3.8
71.01252	64.9
72.01592	1.0
72.99174	6.2
73.02814	2.1
73.10900	0.5
75.19187	0.5
83.01257	2.3
85.02824	11.3
87.00736	3.6
89.02316	85.4
90.02641	1.5
95.01259	4.1
98.19810	0.7
101.02319	37.1
102.02640	0.7
113.02326	25.6
119.03388	38.0
120.03743	0.9
123.00713	0.7
124.01544	0.8
125.02361	0.9
131.03357	2.9
131.04829	0.6
134.03632	0.8
137.02361	2.7
138.03079	1.9
143.03409	5.3
145.02840	1.4
147.04367	1.0
149.02332	1.1
149.04480	3.2
149.05914	0.6
150.03085	0.9
151.03897	8.6
152.04445	0.6
153.05412	1.5
158.03569	0.5
159.04411	1.3
161.02362	1.0
161.04465	4.4
161.05592	0.9
162.14180	0.6
163.03926	0.9
164.04736	0.6
173.05957	1.0
174.03090	1.3
175.03925	5.6
176.04523	1.7
177.01744	0.7
177.05457	2.6
179.05530	13.4
180.04198	0.6
181.35228	0.6
187.03915	6.6
188.04604	2.2
189.05457	1.9
190.06299	3.1
191.06973	1.2
192.04141	0.9
193.05017	1.6
201.05209	0.8
202.06216	2.3
203.03430	0.6
203.07039	3.0
204.04181	1.5
204.07764	0.8
205.05011	6.2
205.08524	1.7
207.06551	1.1
217.08607	1.4
218.05717	0.8
219.06479	1.8
219.10139	0.9
220.07349	6.9
233.08099	1.2
235.09692	5.8
237.43045	0.6
309.07864	0.6
311.05316	1.0
313.10516	1.1
341.10303	7.1
342.10397	1.2
346.19989	0.6
353.10400	0.7
354.10648	0.8
355.11963	0.7
356.12595	3.6
371.11041	1.2
371.14822	3.2
386.13293	1.0
389.15775	2.5
401.16055	44.9
402.16379	5.8
405.17105	1.2
445.90567	0.6
459.12625	1.7
521.32855	2.8
581.22314	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	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40948	0.1
59.01245	0.5
60.02432	0.1
61.98702	100.0
62.82835	0.1
62.98402	0.1
66.64816	0.1
66.80666	0.1
69.23013	0.3
69.23405	1.2
72.85954	0.1
78.95773	1.1
79.64460	0.1
83.39610	0.1
90.33968	0.1
94.54803	0.1
98.64561	0.1
145.79124	0.1
152.99503	0.5
153.57126	0.1
218.89726	0.1
224.06885	0.2
265.35034	0.1
279.23297	2.1
279.26086	0.2
280.23648	1.3
281.23837	0.8
282.24213	0.6
403.47189	0.1
504.30783	0.9
505.31354	0.4
506.31857	0.4
507.31851	1.5
581.29767	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	580.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43390	0.2
59.01248	15.9
61.98698	1.1
69.30024	0.7
69.30445	1.2
78.95773	10.3
80.96391	0.7
96.95885	0.9
96.96811	0.5
97.56784	0.2
99.92464	0.5
115.91959	1.5
116.92744	1.4
152.99495	2.3
168.04205	1.3
171.00566	0.4
172.95387	0.3
178.88316	0.6
179.89156	1.7
180.89978	1.0
196.89421	1.9
205.90630	0.3
224.06860	1.1
235.91850	0.4
236.92511	1.3
242.07895	2.4
281.24838	100.0
282.25180	10.3
310.96310	0.3
385.15756	0.2
473.14224	0.3
490.14154	0.3
506.32477	25.0
507.32867	4.5
533.16321	0.3
545.15857	0.3
563.17065	0.5
580.28644	0.8
581.18237	3.7
581.27515	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	580.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	20.5
63.05613	0.5
70.50256	0.4
70.52183	1.2
70.52541	0.8
78.95773	24.5
86.00505	0.4
87.65273	0.5
92.36736	0.5
96.95872	0.7
96.96801	0.5
101.85081	0.5
115.91931	0.7
122.98373	0.5
152.99486	3.8
168.04198	4.0
179.89165	0.5
196.89384	1.0
206.01620	0.5
223.41782	0.5
224.06853	8.4
227.59601	0.5
242.07889	2.1
257.85947	0.5
259.13791	0.5
281.24832	100.0
282.25174	10.2
506.32486	63.0
507.32806	9.9
581.18201	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.1
58.00447	1.0
58.59859	1.0
59.01251	23.5
61.47828	0.9
69.43342	7.9
71.01252	11.3
72.99185	1.3
73.02811	3.1
79.34900	0.9
83.01236	2.0
85.02823	5.2
87.00748	3.9
89.02306	6.5
89.03821	1.7
93.03320	1.4
95.01255	1.3
96.95866	1.2
97.40160	1.2
98.20581	1.9
99.00745	1.9
101.02340	6.2
104.19075	1.0
105.03272	1.2
107.04904	1.2
113.02343	6.6
116.92747	9.8
117.03353	4.4
117.92802	1.1
118.98006	1.0
119.03423	2.0
121.02834	5.1
123.00774	1.2
123.04414	1.9
125.02326	1.0
132.02066	22.6
133.02896	5.7
134.03633	60.2
135.04311	5.0
136.01567	1.1
137.02356	4.2
145.02837	2.0
147.04393	7.3
148.05183	3.4
149.02354	25.6
149.05981	9.9
150.03148	8.9
151.03860	3.6
152.00925	1.2
158.03549	1.1
160.01564	85.2
161.02313	7.8
161.04459	2.1
162.03033	2.3
163.03931	1.5
164.04703	5.7
165.05449	8.9
167.03392	1.2
173.06001	3.5
174.03096	1.7
175.03923	82.5
176.04636	18.7
177.01846	100.0
177.05132	2.8
178.02484	10.8
179.03380	5.8
179.07074	2.4
180.04240	1.2
181.04951	2.9
190.02565	1.6
190.06256	1.2
191.03392	3.3
191.05287	1.1
191.07065	26.8
192.04202	47.5
193.04980	83.0
194.05420	5.7
195.02901	2.0
195.06566	5.6
202.02705	1.4
205.05009	1.6
207.06573	25.4
208.03752	3.0
208.06938	1.2
210.05315	2.3
217.04994	4.0
220.03670	5.4
223.06055	13.0
225.07646	2.5
235.06070	77.6
236.06393	4.8
249.07603	1.7
265.07144	39.5
266.07480	3.1
281.22720	1.2
295.08215	49.9
296.08615	3.3
337.09213	1.5
345.58984	1.2
355.10284	8.5
377.29245	1.2
385.41025	1.2
389.16068	3.3
419.13385	7.3
521.33197	16.6
522.34186	1.6
539.34161	4.5
563.17700	36.2
564.18488	6.1
581.19086	9.2
582.18408	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	581.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.1
58.00447	1.0
58.59859	1.0
59.01251	23.5
61.47828	0.9
69.43342	7.9
71.01252	11.3
72.99185	1.3
73.02811	3.1
79.34900	0.9
83.01236	2.0
85.02823	5.2
87.00748	3.9
89.02306	6.5
89.03821	1.7
93.03320	1.4
95.01255	1.3
96.95866	1.2
97.40160	1.2
98.20581	1.9
99.00745	1.9
101.02340	6.2
104.19075	1.0
105.03272	1.2
107.04904	1.2
113.02343	6.6
116.92747	9.8
117.03353	4.4
117.92802	1.1
118.98006	1.0
119.03423	2.0
121.02834	5.1
123.00774	1.2
123.04414	1.9
125.02326	1.0
132.02066	22.6
133.02896	5.7
134.03633	60.2
135.04311	5.0
136.01567	1.1
137.02356	4.2
145.02837	2.0
147.04393	7.3
148.05183	3.4
149.02354	25.6
149.05981	9.9
150.03148	8.9
151.03860	3.6
152.00925	1.2
158.03549	1.1
160.01564	85.2
161.02313	7.8
161.04459	2.1
162.03033	2.3
163.03931	1.5
164.04703	5.7
165.05449	8.9
167.03392	1.2
173.06001	3.5
174.03096	1.7
175.03923	82.5
176.04636	18.7
177.01846	100.0
177.05132	2.8
178.02484	10.8
179.03380	5.8
179.07074	2.4
180.04240	1.2
181.04951	2.9
190.02565	1.6
190.06256	1.2
191.03392	3.3
191.05287	1.1
191.07065	26.8
192.04202	47.5
193.04980	83.0
194.05420	5.7
195.02901	2.0
195.06566	5.6
202.02705	1.4
205.05009	1.6
207.06573	25.4
208.03752	3.0
208.06938	1.2
210.05315	2.3
217.04994	4.0
220.03670	5.4
223.06055	13.0
225.07646	2.5
235.06070	77.6
236.06393	4.8
249.07603	1.7
265.07144	39.5
266.07480	3.1
281.22720	1.2
295.08215	49.9
296.08615	3.3
337.09213	1.5
345.58984	1.2
355.10284	8.5
377.29245	1.2
385.41025	1.2
389.16068	3.3
419.13385	7.3
521.33197	16.6
522.34186	1.6
539.34161	4.5
563.17700	36.2
564.18488	6.1
581.19086	9.2
582.18408	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	579.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88638	0.1
59.01244	0.7
61.01702	0.1
61.98701	100.0
62.98397	0.2
70.25863	0.4
70.26225	0.1
71.82341	0.1
77.57965	0.1
78.95765	0.7
114.29600	0.1
152.99519	0.4
157.53688	0.1
168.04259	0.1
225.51886	0.1
242.07951	0.1
277.21719	2.4
277.24478	0.2
278.22052	2.3
279.22339	1.3
280.22595	0.9
288.47678	0.1
502.29202	0.6
503.29742	0.3
504.30179	0.4
505.30273	0.9
506.31754	0.1
579.31226	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	579.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19797	0.1
55.01765	1.0
55.90823	0.1
56.84904	0.1
57.03325	2.1
58.00468	1.2
59.01250	57.6
60.01587	0.7
61.98700	0.8
69.03331	0.9
71.01253	28.6
71.04907	0.5
71.49060	0.2
71.49529	0.2
72.01593	0.7
72.99187	1.5
73.02818	7.4
75.00751	0.6
78.95744	0.2
80.10495	0.2
81.03316	0.5
83.01257	3.6
83.04884	0.3
84.01566	0.2
84.02020	0.2
85.02821	12.9
85.99955	0.9
86.03175	0.3
87.00742	2.2
87.04369	0.4
89.02316	8.8
90.02642	0.2
95.01261	2.9
95.04907	0.2
96.95882	0.2
97.02826	1.4
97.06460	1.2
99.00755	3.0
99.04415	0.2
101.02321	15.3
102.02630	0.3
103.03899	0.3
107.04895	0.2
108.02014	0.2
109.06470	0.4
111.00755	1.5
111.08059	0.7
112.01549	0.6
113.02331	14.2
113.05954	0.3
113.09608	0.2
114.02641	0.3
115.03934	0.2
119.03391	3.2
119.08549	0.2
121.02890	0.2
121.10131	0.6
123.08071	0.9
124.01586	0.8
125.02323	1.9
125.05921	0.2
125.09628	0.6
127.07536	0.3
127.11189	0.7
129.01852	0.4
131.03418	0.3
132.02061	0.2
133.02849	0.2
135.04398	0.2
137.09584	1.0
139.00270	0.4
139.07558	1.8
141.01830	0.3
141.09106	0.4
142.02618	0.2
143.03407	1.6
143.10727	0.4
148.04013	0.2
149.09647	0.4
151.00316	0.3
151.07536	0.2
151.11194	0.2
153.09125	0.7
153.12738	0.2
155.10672	1.0
157.08597	0.3
157.12228	0.3
157.72359	0.1
159.02896	1.2
160.01563	0.5
161.02376	0.3
161.04456	4.0
164.74989	0.1
165.09006	0.2
167.10638	0.2
169.12271	0.3
171.13826	1.6
173.11720	0.6
175.03905	0.5
176.01117	0.2
177.01807	0.3
178.99805	0.2
179.05527	0.7
185.11786	0.5
187.13313	0.3
190.99944	0.2
191.03459	0.3
193.04996	0.2
199.13348	0.3
199.68820	0.2
200.14127	0.9
201.14914	1.2
203.12836	0.4
205.03369	0.3
219.12334	0.2
227.16602	0.2
229.17984	1.0
232.13115	0.5
253.05649	0.2
263.20309	0.2
271.05991	0.2
275.20251	0.4
277.21762	0.9
281.21146	0.2
293.21225	0.7
295.22760	0.8
297.24420	0.2
307.22726	0.4
309.24496	0.2
313.23962	0.3
315.18030	0.3
315.25269	0.3
321.24280	0.4
333.19391	0.2
339.25366	0.6
344.18402	0.7
345.19293	0.3
357.26447	6.7
358.26791	0.8
361.18655	0.3
362.19461	2.0
363.20068	0.5
375.27493	6.0
376.27539	0.9
377.21445	0.2
387.16565	0.5
394.18643	0.8
399.27457	0.4
401.18204	1.0
402.18411	0.2
421.25897	0.2
431.26392	0.2
439.26862	0.5
445.28076	0.3
449.27618	0.3
457.28152	0.6
459.29681	0.7
465.28104	0.2
471.29776	0.4
475.29257	0.6
483.29492	0.7
489.30618	0.5
501.30731	1.9
502.31247	0.4
504.14783	0.3
517.29962	0.3
519.31714	100.0
520.32074	16.2
537.32776	11.2
538.33093	1.8
561.33215	0.4
579.33917	0.8
580.34076	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	579.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23503	2.7
53.00177	3.0
55.67984	2.8
59.01246	100.0
69.03313	6.5
71.01251	50.1
71.49118	3.5
72.99188	3.7
73.02818	16.7
76.55992	2.7
83.01289	5.5
85.02823	17.7
87.00742	5.1
89.02327	26.6
96.95879	5.2
99.00764	3.8
99.42136	3.1
101.02334	27.9
113.02333	24.8
119.03404	11.4
134.03598	4.3
140.96275	3.6
149.02391	7.0
150.02086	3.1
150.03067	16.5
161.04472	9.5
164.04657	5.2
165.05490	10.5
169.70174	3.0
175.02498	3.4
179.05481	4.6
195.06516	5.3
278.25632	3.5
327.12375	14.7
471.15692	3.6
475.21838	27.0
476.22339	5.7
493.22726	27.4
519.31781	26.1
537.33002	4.2
547.18213	5.5
584.95599	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11226	0.4
59.01242	0.7
63.96103	1.3
69.03306	0.7
71.01254	6.7
73.02789	1.8
78.95770	1.5
78.98468	6.0
79.95605	9.7
80.96390	66.3
81.03328	0.7
83.01248	0.5
85.02827	3.0
87.00749	2.2
91.87949	0.4
94.97964	15.3
96.95890	15.1
97.02836	1.3
98.19816	1.2
99.00747	0.6
99.91016	0.3
101.02321	3.1
106.97956	3.3
113.02401	0.4
122.26019	0.4
122.97481	5.1
125.02314	2.9
127.03909	0.9
134.97473	4.6
136.99060	1.2
148.99049	6.1
152.98531	7.7
152.99655	0.8
164.98546	10.9
171.00485	0.4
177.89751	0.5
178.90411	0.4
181.58208	0.4
182.99622	2.6
188.98560	0.4
194.89938	0.6
206.99640	3.7
225.00696	17.1
226.00967	0.7
243.01756	1.8
245.04274	0.9
279.23270	3.8
281.24829	0.5
299.04388	3.2
326.82388	0.4
481.25626	0.7
579.28430	100.0
580.28699	15.2
580.37732	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	579.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.8
61.98701	100.0
62.98405	0.2
65.95667	0.2
66.50752	0.2
70.87830	0.4
70.88169	0.2
71.01260	1.3
73.02818	0.5
78.95769	1.3
78.98473	0.8
79.95596	1.0
80.96388	8.0
80.98051	0.6
81.95201	0.8
81.96384	0.2
82.95969	5.8
82.96816	0.9
85.02821	0.4
87.00758	0.7
94.97966	1.9
96.66321	0.2
96.97532	1.4
97.02820	0.4
101.02345	0.5
106.98004	0.5
108.97562	0.4
122.97484	0.6
124.80654	0.2
124.97068	0.4
125.02373	0.5
134.97458	0.5
148.99066	0.5
150.98587	0.4
152.98505	0.4
152.99590	0.4
154.98137	0.5
164.98524	1.1
165.98859	0.2
166.98128	0.8
173.23131	0.2
180.99945	0.2
182.99507	0.3
186.40318	0.2
208.99318	0.2
225.00720	1.1
226.01047	0.6
227.00218	1.4
277.21707	1.7
278.22134	0.9
279.22485	0.7
280.22791	0.3
289.07169	0.2
299.04581	0.2
301.04190	0.4
426.34329	0.3
502.29309	0.9
503.30133	0.4
504.30502	0.3
505.30231	1.1
524.20807	0.2
579.27051	23.1
580.27100	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	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.5
66.21886	0.6
69.19222	3.7
69.19640	1.9
75.63429	0.5
78.95776	21.6
113.93546	0.5
142.90556	0.6
152.99472	3.5
168.04222	3.9
224.06877	8.9
242.07959	1.9
279.23285	100.0
280.23615	10.3
284.05875	0.6
421.60486	0.8
434.52814	0.5
446.75458	0.6
504.30969	57.6
505.31305	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	578.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69233	0.3
59.01250	18.7
60.01588	0.4
71.01226	0.3
71.26653	0.5
78.95778	5.8
80.96398	1.4
94.97960	0.4
107.90238	0.3
110.93631	0.2
117.01739	0.3
152.99449	1.3
168.04233	1.2
224.06850	0.9
224.42693	0.2
226.01117	0.3
242.07961	2.8
246.25510	0.2
272.46841	0.3
279.23276	100.0
280.20438	0.3
280.21198	0.2
280.23611	10.4
504.30969	26.8
505.31387	4.3
578.27173	2.0
579.27344	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49456	0.3
55.01753	0.6
57.03322	0.8
58.00466	0.3
59.01250	17.4
59.47903	0.2
65.00195	0.2
69.03320	0.4
69.67813	1.1
69.68229	0.6
71.01250	6.5
73.02813	2.0
73.79145	0.2
74.00548	0.3
81.03336	0.4
83.01262	0.8
85.02821	3.1
87.00767	0.7
89.02319	2.8
93.03356	0.4
95.01275	1.1
96.95898	0.4
98.19830	0.6
98.49919	0.3
99.00742	0.6
101.02330	3.9
109.02829	2.1
111.00761	0.8
113.02330	4.3
117.99591	0.4
119.03399	1.1
119.04911	0.6
121.02840	0.5
123.00790	2.2
124.01577	0.4
125.02344	1.4
137.02344	7.9
137.09595	0.8
139.00241	0.6
139.03894	0.6
143.03403	0.5
143.10703	0.4
149.02348	1.0
150.03113	0.3
151.00281	14.5
151.03883	1.0
151.11145	0.3
152.01062	1.8
152.04730	2.0
159.04408	0.5
161.02365	0.5
161.04482	1.7
163.03944	0.6
164.04671	0.5
165.01823	0.7
166.02628	44.9
167.03246	2.7
173.02449	0.3
175.03928	1.0
176.01103	0.3
177.01799	2.2
181.04984	59.7
182.05339	2.9
184.03685	0.9
189.05495	0.3
190.06279	0.8
191.03427	0.7
192.04184	0.8
193.04990	1.3
195.02858	0.5
203.03436	0.4
205.05020	0.5
205.08702	0.7
207.06610	1.0
209.04510	0.4
216.35844	0.3
219.06706	0.4
233.08246	0.4
250.41016	0.3
268.03851	0.8
269.04462	2.5
270.04895	2.0
271.05066	1.8
287.22458	0.4
316.96133	0.3
327.25552	0.3
341.10269	0.4
343.21060	0.3
357.09811	0.4
357.26428	1.8
359.11417	1.6
363.20117	0.6
371.14996	0.6
375.27417	1.6
387.10843	12.8
388.11496	1.3
402.08301	0.5
402.13217	6.4
403.13434	0.6
417.15536	100.0
418.15848	13.8
457.55804	0.3
493.36469	0.4
501.30511	0.4
519.31738	25.5
520.32111	2.8
537.32953	4.7
538.33575	0.5
571.39001	0.3
579.16223	4.0
579.33783	0.6
580.17090	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	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73089	1.4
54.79037	1.4
59.01248	11.4
61.01959	1.2
61.98710	2.9
64.25128	1.2
71.01261	2.4
74.38706	1.2
80.76395	1.4
80.96436	2.0
89.02332	2.0
98.20672	2.6
101.02354	2.1
106.37592	1.6
113.02379	1.8
143.82994	1.5
152.60916	1.7
158.62346	1.4
209.96208	1.6
253.09238	14.1
281.24847	100.0
282.25342	8.0
434.68167	1.6
470.05905	1.7
545.42102	1.6
577.26941	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	578.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.6
61.98683	3.3
69.64816	6.8
78.95786	11.4
122.84669	1.1
132.12827	1.3
140.01047	3.1
149.24570	1.1
153.12776	5.3
163.11177	1.1
165.12740	4.4
170.05672	1.2
179.10614	2.8
181.12286	19.1
182.12700	1.2
196.03676	1.3
197.11693	1.7
199.13342	100.0
200.13629	4.4
214.04794	3.9
215.12822	4.0
240.98268	1.3
251.61417	1.0
363.25519	6.2
381.26559	7.5
382.26895	1.6
396.17929	22.8
397.17999	2.7
565.33948	1.3
578.30920	35.4
579.31384	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
63.96104	1.4
69.03322	0.7
71.01254	10.2
71.07816	1.1
71.08149	0.9
73.02814	2.7
78.98456	7.6
79.73521	0.6
79.95605	14.5
80.96390	95.4
81.03326	1.1
81.96317	0.7
85.02829	3.5
86.07164	0.6
87.00751	3.5
90.92469	0.6
94.97961	22.0
96.95896	2.2
97.02839	1.8
99.00789	0.8
101.02335	4.4
106.97965	4.6
113.02348	0.8
122.97478	6.7
123.70611	0.6
125.02335	2.7
127.03889	1.3
134.97458	5.8
136.99037	1.6
148.99023	7.1
152.98540	7.8
159.76624	0.6
164.98550	11.9
182.99658	2.9
188.98663	0.8
206.99591	2.2
225.00714	14.6
243.01718	1.7
277.21683	1.1
299.04495	2.8
358.83054	0.8
422.86197	0.7
577.26855	100.0
578.27179	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	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38093	0.2
59.01252	15.7
63.96120	0.3
68.20581	0.2
69.19947	1.7
69.20364	0.7
71.01255	2.1
73.02818	0.4
78.95773	5.7
78.98457	1.6
79.95605	2.8
80.96387	19.3
81.03362	0.2
85.02814	0.8
87.00741	0.8
94.97961	4.1
96.95859	0.3
97.02803	0.3
98.00234	0.2
98.19833	0.4
101.02323	0.7
106.97964	0.9
122.97448	1.5
125.02317	0.6
127.03946	0.3
134.97481	1.5
136.99048	0.3
148.99062	1.7
152.98450	1.5
152.99594	1.5
164.98549	3.2
168.04282	1.1
182.99622	0.5
188.98476	0.2
193.38922	0.2
206.99591	0.6
224.06844	1.1
225.00684	4.1
242.07944	2.8
246.64372	0.2
261.22360	0.3
277.21780	0.5
279.23285	100.0
297.80789	0.2
299.04425	0.7
419.73761	0.2
504.30969	32.7
577.26910	28.4
578.27240	5.4
578.36371	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	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57608	2.9
53.02021	2.6
54.57293	2.6
55.16055	2.5
57.03314	5.1
59.01250	100.0
59.54966	2.4
61.02151	2.8
61.98705	16.0
69.03322	4.2
70.36510	12.0
70.50101	2.8
71.01254	49.1
72.99181	9.3
73.02822	13.3
75.00756	24.8
78.95790	6.1
83.01256	6.0
85.02823	32.5
87.00757	11.1
89.02337	17.4
95.01247	4.8
96.95896	13.6
99.00755	12.4
100.46299	2.9
101.02328	25.4
108.02000	3.4
111.00785	4.9
112.12933	2.8
113.02330	32.7
119.03413	6.0
119.04922	2.7
125.09631	3.1
127.11189	5.6
128.03363	4.0
129.01834	3.6
134.03618	6.5
152.01016	5.0
160.01617	6.8
161.02298	6.1
161.04555	4.1
171.10178	7.8
179.32181	3.4
191.05540	4.7
201.11221	20.2
201.99037	3.5
209.90616	3.1
327.21817	3.6
329.23364	5.4
373.25681	3.3
396.81461	3.1
401.18228	13.5
415.23117	3.9
455.27127	4.3
473.27646	14.1
487.28516	3.4
491.28604	12.7
517.30127	23.8
533.22217	23.8
533.29675	83.7
534.22601	6.4
534.30194	18.6
535.31152	5.8
577.31104	29.5
578.29761	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	577.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
57.03325	2.1
58.26179	1.1
59.01252	41.8
60.01591	2.0
61.98706	3.8
62.92882	1.1
69.03349	2.2
71.01253	23.9
72.99174	2.5
73.02817	12.7
74.02357	1.4
75.00755	1.5
78.95784	1.9
79.95650	1.2
83.01271	3.8
84.02051	4.9
85.02827	6.3
86.82572	1.3
87.00751	5.1
87.13327	1.3
89.02329	8.6
95.01279	2.0
96.95908	3.4
97.02840	2.0
97.06474	4.8
99.04431	2.1
101.02328	15.3
113.02327	7.7
119.03381	3.3
120.01086	1.6
121.02911	1.3
125.09665	1.5
134.03711	1.4
143.03360	1.8
161.04483	2.5
162.56509	1.4
165.12801	1.4
171.10152	12.5
183.13837	1.4
185.11737	1.7
190.02666	2.7
193.12263	8.2
205.04874	1.6
211.13289	6.6
218.41693	1.2
223.06110	2.1
225.14870	6.1
229.14403	3.7
229.62639	1.4
243.16077	3.4
253.09270	21.0
287.05698	3.8
289.07196	2.0
293.21265	11.2
311.22247	6.9
329.23294	9.0
334.48080	1.5
341.23312	65.7
342.23666	7.3
380.91464	1.5
408.73984	1.4
415.15683	2.6
447.78036	1.4
473.27536	5.4
491.13303	1.4
491.28549	11.3
517.29797	1.8
533.29688	100.0
534.30011	15.8
569.73083	1.5
577.13525	5.6
577.27332	2.2
577.32745	2.4
578.14209	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	577.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.0
57.03325	6.3
58.00458	0.9
59.01252	34.3
61.98689	0.8
67.01705	0.5
69.03314	0.8
69.26369	2.2
69.26790	3.6
71.01254	29.5
72.99187	4.2
73.02814	6.9
75.00745	17.6
76.01054	0.6
77.46030	0.5
83.01248	5.8
85.02821	25.3
85.99979	0.6
86.03153	0.6
87.00745	5.1
89.02316	12.1
89.39207	0.5
95.01291	3.2
97.02806	0.7
99.00756	6.6
101.02327	17.9
111.00742	1.1
113.02326	23.0
115.00238	1.4
117.01798	0.6
117.03336	1.9
119.03398	4.5
123.08075	3.2
125.02322	0.7
129.01849	1.0
131.03380	1.1
132.02084	0.9
133.02841	2.1
134.03624	16.4
135.04385	0.9
143.03349	0.7
149.06006	0.8
157.01366	0.6
160.01598	2.7
161.02361	7.5
161.04475	1.6
161.09627	0.7
173.04562	1.4
175.02333	1.6
175.03894	2.0
177.12769	4.3
179.03423	0.6
191.05505	0.6
193.04976	4.3
195.13872	2.7
200.12820	0.6
215.05592	0.7
221.11711	3.9
280.72382	0.6
401.18140	100.0
402.18539	10.8
473.20169	0.8
533.22406	39.4
534.22620	7.9
577.22827	18.0
577.31519	1.5
578.23401	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	577.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66391	0.2
55.01758	1.1
57.03319	2.8
58.00473	0.9
59.01252	21.3
59.11979	0.2
60.01571	0.2
61.98695	0.5
68.99693	0.2
69.03315	0.5
69.77818	1.3
70.79107	0.2
71.01251	18.1
72.01601	0.3
72.99189	1.3
73.02815	4.9
75.00748	0.7
83.01260	3.1
85.02818	8.9
85.99937	0.3
86.03214	0.2
87.00766	0.9
89.02313	7.1
89.03837	0.6
95.01277	1.6
96.95875	0.4
97.02800	0.5
99.00749	2.0
101.02319	15.1
111.00760	0.4
113.02327	7.6
114.02598	0.3
117.03337	1.5
117.26750	0.2
117.44953	0.2
119.03380	2.8
123.08047	2.8
125.02296	0.2
129.01868	0.2
131.03409	0.3
132.02051	1.1
133.02855	3.1
134.03632	16.1
135.04503	1.6
137.02310	0.3
143.03441	0.2
147.04437	0.3
149.06010	1.1
149.09691	0.2
151.11205	0.4
159.02892	0.5
160.01550	3.2
161.02356	7.3
161.04326	1.1
161.09575	0.4
162.02731	0.3
166.27141	0.2
175.03906	2.3
176.04701	0.6
177.12772	5.6
177.14284	0.4
178.13126	0.6
179.03424	0.8
179.05693	0.2
185.29575	0.2
191.07042	0.6
193.04985	5.1
194.05365	0.3
195.13837	3.0
196.14148	0.3
217.05104	0.3
221.11777	4.0
235.06119	0.6
383.17123	0.7
401.18127	100.0
402.18469	11.9
457.28082	0.3
485.27457	0.2
517.30084	0.8
533.22864	0.4
535.31201	0.4
545.20441	0.3
577.22839	20.1
577.31781	2.7
578.23108	3.5
578.31708	0.5
586.49896	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	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.08244	4.2
61.98691	14.1
68.42487	3.5
69.07599	3.5
71.01258	13.9
71.49444	4.8
78.95779	17.4
85.02825	4.6
88.98689	8.7
93.10939	4.3
95.55724	4.7
96.95882	9.7
99.00721	4.7
101.02331	6.6
113.02297	6.5
127.78082	3.9
152.99513	10.5
230.66182	4.5
271.78552	3.8
272.05704	4.1
313.22955	4.4
338.38132	4.5
471.33105	5.2
489.33679	7.0
546.78998	5.0
575.34186	15.5
576.29456	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79067	0.2
60.15974	0.3
61.98702	100.0
69.60532	0.3
71.07204	0.4
71.07521	0.4
71.16077	0.2
71.42382	0.2
74.85861	0.3
91.79835	0.3
94.83275	0.3
153.12361	0.3
272.26251	0.3
277.21820	0.5
278.22089	1.3
279.22293	0.5
280.22888	0.4
287.09247	0.4
472.67776	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	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40789	0.2
59.01243	0.6
61.98702	100.0
66.91159	0.2
71.01250	0.3
79.79787	0.2
79.95628	0.3
80.96387	2.5
94.97961	0.9
98.19727	0.4
148.99025	0.3
159.06203	0.2
164.98566	0.5
192.16112	0.2
225.00594	0.4
229.81949	0.4
234.75346	0.2
255.09860	0.2
277.21741	1.3
278.22137	2.3
279.22400	1.3
280.22690	0.3
300.32504	0.2
351.79526	0.3
576.20239	0.3
577.26892	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	25.5
60.50884	0.4
69.19424	1.7
69.19841	3.3
71.01264	4.4
73.02806	0.9
78.95773	25.0
78.98465	3.1
79.95602	5.1
80.96387	36.8
81.03310	0.6
85.02824	1.4
85.35759	0.5
87.00763	1.1
94.97964	9.1
96.83605	0.4
96.95904	0.9
97.02818	0.8
98.20582	1.0
99.00780	0.6
101.02297	1.3
106.97959	1.1
113.17133	0.5
114.29604	0.5
122.97468	3.1
122.98373	0.9
125.02327	1.7
128.01257	0.5
134.97481	2.7
136.99075	0.9
148.99026	3.7
152.98383	3.0
152.99564	3.4
164.98552	6.0
167.00305	0.4
168.04213	4.2
182.99577	2.0
197.36288	0.6
206.99608	1.9
224.06874	10.8
225.00674	9.1
242.07985	2.9
243.01735	0.8
277.21713	100.0
278.22034	10.7
299.04443	1.7
436.03455	0.5
502.29391	69.2
503.29715	11.9
577.26849	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	20.4
60.01577	0.3
66.70694	0.1
71.01259	0.2
78.95769	7.5
96.96824	0.2
98.19772	0.4
104.64137	0.1
121.67466	0.1
127.07513	0.2
129.22972	0.1
133.09534	0.1
152.99496	1.2
168.04199	1.6
203.35310	0.1
224.06879	1.1
229.73189	0.2
233.22723	0.3
242.07957	3.6
259.20642	0.4
275.20361	0.3
277.21701	100.0
278.22052	10.8
401.99646	0.2
502.29364	29.8
503.29749	5.1
543.41357	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	576.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65184	0.4
61.98701	33.2
71.01231	0.7
71.21995	1.0
76.64297	0.5
78.95770	18.9
79.95591	0.4
80.96395	3.6
84.18661	0.4
94.97955	0.8
96.95866	1.0
96.96794	0.9
102.17544	0.4
114.94810	0.6
115.91961	2.1
116.92733	0.9
121.02824	1.4
140.01062	3.1
152.99527	3.1
164.98508	0.8
179.89136	1.8
180.89954	1.1
191.03439	1.5
192.03873	0.7
196.03720	1.8
196.89479	2.4
214.04797	4.0
225.00742	0.9
233.68976	0.5
236.92499	0.7
277.21729	1.1
279.23175	0.7
314.22250	0.5
347.25943	9.2
348.26141	1.7
349.27567	0.5
379.28519	100.0
380.23981	0.7
380.28870	13.9
444.71161	0.4
453.82147	0.5
476.27405	0.8
540.18103	0.8
576.20337	3.0
576.33020	11.2
577.26227	3.2
577.33887	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	577.135
Annotation	Procyanidin B8
Peak:m/z	Relative Intensity
57.03311	11.8
64.21246	2.4
69.03314	2.7
69.78065	15.2
80.46509	2.9
83.01255	7.8
85.01711	2.8
87.92456	2.4
95.04864	2.9
96.95930	5.0
109.02833	21.8
121.02834	2.6
123.04401	13.6
125.02335	100.0
126.02695	3.8
133.02821	6.2
137.02371	14.5
138.24666	2.9
149.02327	5.7
151.03949	12.5
159.04424	6.1
161.02347	25.1
161.05943	5.5
162.02963	3.6
164.01031	4.3
165.01866	3.4
175.03886	11.0
177.01799	4.5
187.03931	7.2
188.04562	3.3
191.05530	4.0
199.03891	3.1
203.07098	7.4
205.01401	2.9
205.04948	7.4
243.02931	3.1
245.04427	5.2
245.08122	9.5
255.02925	7.9
256.03580	3.6
269.04886	3.1
281.04556	3.0
287.05658	8.2
289.07159	73.9
290.07401	6.4
293.12820	2.6
299.05475	6.6
300.65323	2.9
339.09015	3.7
407.07715	61.1
407.90244	3.0
408.07928	3.6
425.08847	21.6
426.09100	4.2
444.33865	2.8
449.83578	2.9
450.61169	2.7
451.10141	8.6
577.12781	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	575.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.7
56.51217	2.2
59.01251	78.2
60.99166	3.3
61.98710	6.4
69.03306	3.9
69.34240	10.2
69.34666	10.1
71.01254	32.6
72.01606	2.3
72.99169	3.4
73.02818	35.8
78.95766	2.7
79.95623	3.0
83.01263	9.6
83.65220	2.3
85.02821	6.2
87.00774	3.9
88.98680	23.6
89.02323	9.4
96.95918	5.9
98.19849	4.0
99.00764	3.3
99.04359	2.8
101.02321	25.9
111.00763	4.6
113.02326	7.8
119.03445	2.3
130.08632	4.3
163.11191	2.8
165.12747	2.2
211.13277	2.4
247.20688	3.3
291.19659	19.8
306.18314	2.3
309.20651	12.1
327.21921	3.8
392.27948	2.3
486.26987	6.7
489.27170	7.9
515.32465	11.7
531.28094	100.0
532.28412	12.2
533.33734	3.0
575.31873	5.0
576.34259	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36358	0.5
55.01754	0.6
58.00471	1.3
59.01252	29.3
69.56728	4.3
70.93446	0.7
71.01252	16.6
71.01627	1.3
72.99199	0.8
73.02802	3.2
81.03245	0.7
83.01244	1.8
85.02828	3.7
87.00745	0.8
89.02314	11.1
92.93156	0.6
95.01268	1.8
96.95943	0.8
98.20476	0.8
98.44919	0.7
99.00742	0.8
101.02315	9.8
101.52509	0.6
108.02042	1.7
108.28152	0.6
109.02895	0.7
113.02333	7.7
119.03414	3.2
123.04409	2.8
135.04417	40.3
136.04745	1.4
143.03371	1.1
152.01074	1.3
153.05496	1.9
161.04425	1.5
186.91310	0.6
224.96127	0.6
235.08266	1.0
253.09256	14.5
254.09694	1.3
273.22198	0.9
277.21741	9.2
279.23282	100.0
280.23636	10.2
291.23297	6.6
292.23425	0.8
297.09763	20.5
298.10065	1.6
305.82666	0.7
315.10855	32.9
316.11166	3.3
319.22852	1.8
575.32507	9.0
576.32343	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	575.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.7
55.58841	0.3
59.01258	0.7
67.01759	0.7
69.03323	100.0
70.03648	2.5
71.01261	1.5
72.99175	2.7
78.95768	0.5
79.01749	1.8
83.01315	0.3
85.02817	1.4
87.14622	0.3
95.01266	2.4
96.95889	5.1
97.02828	22.3
98.03185	0.5
99.00755	25.0
100.01134	0.4
113.02335	0.9
121.02843	0.8
123.00781	1.2
129.84229	0.3
134.03566	1.8
135.04489	0.4
141.01834	7.9
146.22478	0.3
149.02309	0.7
149.06001	0.4
150.03091	1.4
151.03905	0.4
152.99490	0.5
165.05518	1.7
165.12579	0.3
178.02602	0.9
185.00830	72.8
186.01166	3.1
193.04973	1.6
195.06543	0.5
197.04482	0.5
205.29883	0.4
209.11804	0.5
328.11691	0.9
341.10278	0.8
400.35815	0.3
532.42303	0.4
575.14435	2.5
575.21954	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	575.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.5
59.01254	3.8
59.06919	0.4
61.98690	0.7
63.89729	0.5
67.01774	0.6
69.03324	100.0
69.70325	2.3
70.03651	1.8
71.01251	4.4
72.99174	1.3
73.02805	0.6
79.01763	1.7
80.04514	0.5
80.96388	0.5
83.01234	0.4
85.02830	2.1
89.02316	2.1
92.78139	0.4
95.01260	3.0
96.95893	1.7
97.02831	21.3
98.03197	0.6
99.00755	25.9
100.01115	0.9
101.02340	1.1
113.02317	1.2
123.00776	1.8
127.04995	0.6
134.03632	2.0
137.02286	0.8
141.01833	7.1
143.03346	0.5
149.02328	0.7
150.03102	1.7
161.02339	0.6
165.05470	1.4
165.06702	0.5
178.02559	1.5
185.00833	69.7
186.01215	2.4
193.05058	3.0
195.06462	0.8
229.23782	0.5
389.12366	1.3
419.48651	0.5
557.26434	0.5
575.13721	1.5
575.28265	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	574.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79380	0.6
56.18200	0.5
59.01242	0.7
61.98694	2.4
62.96283	1.3
69.22842	5.6
71.01257	1.0
78.95773	100.0
80.96396	1.4
96.95895	4.4
96.96834	4.9
98.95478	3.9
98.96044	0.4
99.92458	14.5
100.92492	0.7
114.94807	6.7
115.91959	14.9
116.91991	1.1
116.92731	7.5
119.98444	1.1
122.00003	1.0
137.00024	0.5
137.99507	1.0
140.01064	2.5
140.40321	0.5
141.95917	13.3
142.95956	0.8
150.97879	3.1
151.43883	0.5
152.99487	57.8
153.99850	0.9
163.89668	1.4
164.90346	0.7
170.94112	0.5
171.00549	1.5
172.95387	0.8
178.88338	3.5
179.89131	24.0
180.04291	0.8
180.90016	8.9
181.90744	2.6
182.02060	0.7
192.00587	1.5
192.82582	0.6
194.02269	0.9
194.87714	0.7
196.03722	2.1
196.89415	39.0
197.89362	1.4
204.92319	1.9
205.90712	2.0
205.93045	5.4
219.92276	0.9
222.93394	1.2
223.94174	2.6
225.65546	0.6
235.91823	6.9
236.92517	2.6
252.92099	2.1
259.94174	0.7
277.21704	22.7
277.95267	5.2
278.22092	2.2
278.95868	0.7
279.22375	0.7
279.96762	1.5
295.96118	0.7
296.97305	0.8
379.33429	0.6
431.21988	4.2
432.22018	0.9
457.10959	1.1
472.24634	1.6
474.26215	2.3
496.12912	0.8
497.14020	4.6
498.14352	1.3
513.13678	1.0
514.14221	7.7
515.14404	0.9
531.14319	1.3
538.16626	10.9
539.16724	2.4
552.13770	0.8
556.17688	8.7
557.17969	1.6
570.15369	2.2
574.18707	25.9
575.18390	5.0
575.23920	0.9
575.26593	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	574.188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75597	1.0
61.98699	12.5
62.96269	2.2
71.11578	1.0
71.50468	1.6
72.55324	1.1
78.95776	100.0
80.96404	1.2
94.31502	1.2
96.95857	3.5
96.96835	5.1
98.95467	3.6
99.92449	13.8
100.92491	1.4
114.94807	5.0
115.91972	15.1
116.92736	5.4
127.64017	1.1
140.01064	2.6
141.95912	9.2
150.97911	2.6
152.99495	45.1
163.89609	1.3
171.75594	1.1
178.88350	2.0
179.89137	18.9
180.89948	6.6
181.90654	4.1
192.00552	1.4
194.02132	2.2
196.03671	4.2
196.89410	37.2
197.89465	2.4
202.27213	1.1
204.92328	3.5
205.93066	2.5
218.91496	1.5
222.93373	4.3
235.91800	5.0
236.92516	2.5
247.94084	1.3
277.21710	24.1
277.95282	1.9
278.22079	2.8
316.14465	1.1
383.88525	1.2
431.21902	6.7
472.24429	2.1
474.26251	8.5
497.13953	3.6
498.14142	1.3
514.14233	6.2
538.16675	13.2
539.17004	2.9
556.17627	9.7
563.32965	1.4
570.15698	2.3
574.18677	18.6
575.18970	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	574.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.3
55.74168	0.4
57.03325	0.6
58.00458	1.2
59.01249	70.6
60.01584	1.1
61.98703	1.4
62.45342	0.4
68.09161	0.5
69.03325	0.4
69.34359	2.0
69.34788	1.9
71.01252	22.4
71.04846	0.6
72.01627	0.5
72.99173	1.4
73.02818	4.3
78.95775	0.9
82.16164	0.5
83.01256	2.9
85.02816	7.9
87.00743	1.4
88.98619	0.4
89.02316	14.8
95.01270	2.1
96.95889	1.1
97.02816	0.8
99.00772	2.0
101.02316	17.4
102.02691	0.5
113.02331	10.3
113.09605	0.5
114.09092	0.6
115.07535	4.3
116.21687	0.4
119.03382	5.5
120.01105	0.6
127.11166	0.5
128.03413	0.7
131.03424	0.5
137.09644	1.2
146.04425	0.6
155.10698	2.0
156.10164	3.0
158.11769	6.9
159.02898	0.7
161.04472	2.7
167.14316	0.6
168.13818	0.7
174.28931	0.4
179.05588	1.3
191.14369	1.1
193.12262	0.5
194.15308	0.6
209.15422	1.0
209.19081	0.6
291.65732	0.4
312.38721	0.4
320.17120	4.7
327.88626	0.6
334.23779	0.6
476.24979	1.3
489.34702	0.6
507.35339	1.0
514.30103	1.4
515.32294	4.0
524.60596	0.5
533.33258	1.0
556.31390	5.0
557.31268	1.5
574.32294	100.0
575.32874	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.1
57.03317	1.1
58.00469	1.2
59.01250	66.2
60.01589	0.9
61.98690	0.7
71.01253	20.6
71.49841	0.9
72.99158	1.9
73.02824	3.6
78.66292	0.6
78.95784	1.5
83.01254	2.5
85.02819	7.5
87.00747	1.7
89.02322	13.8
90.55897	0.6
95.01264	2.4
96.95901	1.4
99.00762	1.1
99.92445	0.7
101.02325	14.1
111.00712	0.6
113.02325	7.6
115.07565	1.4
116.92744	1.3
119.03394	5.9
119.79150	0.6
128.03331	0.7
131.03450	0.7
137.09537	0.9
142.12212	0.6
143.03410	0.7
153.01845	1.0
153.05513	0.8
155.10709	6.0
156.10197	1.2
157.08607	3.5
158.11758	2.0
159.02919	0.6
160.01543	0.6
161.04465	1.9
167.45972	0.5
169.12297	0.7
175.03885	1.0
179.05568	2.3
182.11812	0.8
188.86232	0.5
194.15344	0.9
198.14943	1.2
200.12828	5.2
209.19119	1.1
320.17068	1.6
334.24014	1.0
362.18344	3.1
371.27994	0.6
404.19437	1.0
422.20319	1.0
514.29974	1.2
515.32446	2.6
527.20306	0.7
556.31244	3.9
557.31476	1.2
574.32312	100.0
575.14191	0.7
575.32721	18.3
591.62482	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	571.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.3
61.98705	3.0
68.37794	0.4
69.03313	0.8
69.49097	3.2
71.01241	4.1
72.01586	0.4
72.99181	0.8
73.02814	0.9
74.00572	0.5
75.00764	0.4
79.95606	6.3
80.96391	4.9
83.01244	0.6
85.02801	1.4
87.00700	0.9
95.95098	0.7
96.95885	100.0
97.02808	0.4
97.95839	0.5
99.00743	0.5
101.02312	1.9
103.00240	2.8
113.02295	1.5
119.03454	0.4
122.97437	1.2
125.02338	0.7
134.03638	1.5
134.97444	0.8
138.96968	4.2
143.03357	0.5
148.05206	6.7
149.05861	0.8
150.03114	0.9
150.96974	3.2
152.00984	0.6
152.98531	2.0
163.07570	4.5
164.98538	0.8
165.05434	1.2
166.96402	0.4
180.97986	1.1
194.99657	0.6
195.06476	1.0
222.99098	1.8
232.19733	0.4
241.00197	24.0
242.00525	1.0
283.01279	26.6
284.01541	1.1
327.00229	1.6
373.12747	0.6
405.08594	23.2
406.08990	2.1
447.09634	24.3
448.09973	2.7
491.08640	59.7
492.08890	7.0
492.15631	0.6
571.24609	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	572.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01159	0.7
57.03313	2.2
62.56456	0.7
71.48929	1.3
78.57254	0.7
85.02821	11.3
87.00744	21.5
111.00762	62.7
112.01083	2.5
118.72916	0.7
129.01840	3.0
173.00827	2.4
191.01897	100.0
192.02261	3.5
212.98425	1.4
228.97577	2.0
276.28714	0.8
293.80374	0.7
295.94125	1.0
317.87766	0.7
339.92657	1.2
342.08347	1.0
383.92004	0.9
392.84647	0.7
465.16718	0.7
480.64368	0.7
548.55090	0.7
591.59326	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	572.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	1.2
59.01250	18.7
60.03941	0.6
61.98699	2.9
69.27373	4.6
69.27791	1.7
71.01268	3.9
72.73219	0.5
72.99173	0.6
73.02818	1.4
83.01239	0.7
85.02840	1.9
89.02324	0.9
96.95893	0.6
101.02325	2.4
106.24113	0.5
113.02337	2.0
130.08635	100.0
131.08971	3.1
146.82341	0.5
468.26086	2.3
470.83569	0.7
486.27072	5.1
512.60004	0.8
528.28137	74.5
529.28394	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80534	1.0
55.01739	2.2
58.32469	1.1
58.38935	1.4
69.03326	100.0
70.03662	2.3
72.99173	2.5
79.01777	2.1
82.56749	1.2
93.07568	1.7
94.04722	1.3
95.01267	2.6
97.02824	29.1
98.20590	3.1
99.00762	25.9
113.02378	1.5
141.01848	14.9
161.02281	1.4
165.05566	1.8
185.00832	72.3
186.01158	5.1
193.04921	1.6
225.05591	2.2
229.81021	1.6
253.05060	3.5
257.04434	1.4
268.09842	1.7
270.05304	3.6
271.06058	3.3
285.07639	3.5
286.08463	2.7
301.10712	2.2
314.10297	5.6
329.12704	6.1
344.14993	19.8
345.15247	2.0
359.50839	1.4
388.14017	19.5
440.21860	1.3
518.82477	1.6
574.15051	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	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.1
57.01317	0.9
57.03313	3.2
58.00443	1.1
59.01250	97.2
60.01596	1.8
61.98705	15.4
71.01254	30.6
71.49595	1.3
72.41473	1.1
72.99174	2.8
73.02818	7.3
75.00736	1.1
78.95768	2.4
83.01250	3.5
85.02826	16.0
85.99953	1.3
87.00754	3.0
89.02313	8.4
95.01279	3.0
96.95886	4.1
97.02816	1.1
99.00764	2.1
101.02321	15.8
102.02625	1.2
102.07458	0.9
108.02041	1.7
111.00763	2.4
113.02325	20.2
119.03393	3.4
125.02342	1.7
134.03656	1.8
141.01637	1.3
143.03391	2.6
152.00990	1.9
153.05440	1.2
159.02982	1.8
160.01572	2.4
161.02385	1.3
161.04439	7.1
171.13901	1.1
175.03865	2.7
177.00688	0.9
179.03355	1.0
179.05464	1.2
185.15424	1.1
193.04942	1.8
211.13322	4.0
222.92459	1.0
225.04448	1.3
229.14355	3.0
244.60651	1.1
253.09259	4.2
299.25726	1.2
315.25360	1.4
323.02881	1.1
327.00870	1.0
329.23273	14.6
329.26871	1.8
330.23602	1.3
343.28561	2.4
359.28067	1.4
361.29474	10.2
461.31079	3.0
500.47534	1.1
503.32385	1.5
505.33771	100.0
506.34119	15.2
523.34698	16.6
524.35022	2.2
565.20386	3.5
565.35565	2.7
566.22559	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	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23381	1.2
57.03325	1.4
58.00469	2.2
59.00960	2.4
59.01250	38.7
61.98686	1.9
62.13022	1.1
63.09897	1.1
65.04010	1.5
66.61716	1.3
69.27554	10.4
71.01250	42.6
72.99176	2.5
73.02814	4.9
74.64030	1.1
81.98482	1.1
83.01245	3.0
83.90405	1.4
85.02829	10.5
87.00747	3.1
89.02316	41.1
93.03333	3.3
95.01254	3.8
96.95890	2.7
97.02824	1.9
99.00742	3.0
101.02316	22.3
101.81889	1.2
104.92619	1.4
105.02099	1.1
113.02318	16.5
119.03391	13.8
121.02856	7.2
122.03620	13.2
123.04343	2.3
128.43980	1.3
131.03357	2.0
133.02835	3.1
135.04401	1.8
136.01538	2.2
137.02353	2.2
143.03392	2.8
149.02347	36.1
149.04301	1.5
150.03130	95.4
151.03575	3.0
161.02344	6.6
161.04460	8.9
162.03125	2.4
164.04697	12.8
165.05481	100.0
166.05824	4.2
175.03853	1.5
176.04665	1.7
177.01862	1.5
177.05449	1.5
179.03383	3.7
179.05562	11.9
180.04181	7.4
193.08594	2.2
194.05748	5.0
195.06554	54.5
196.06898	1.8
207.10143	1.6
209.08110	11.6
231.96832	1.2
233.92987	1.3
237.16299	1.2
271.15424	1.8
310.08615	1.8
313.11353	2.8
318.14148	1.2
327.07974	1.5
342.11047	4.6
344.50705	1.7
357.13412	54.0
358.13672	5.6
387.16681	3.1
405.15686	5.4
456.67966	1.7
512.73517	1.3
519.18451	2.4
523.27527	1.6
567.20563	11.4
567.29596	2.8
568.21069	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	569.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78582	1.0
59.01248	100.0
61.98710	2.0
70.52400	1.1
71.01261	2.6
71.49507	1.6
78.95756	5.9
80.44654	1.2
82.30433	1.3
83.67464	1.0
85.02822	1.7
93.68129	1.1
96.95885	15.3
101.02349	1.3
113.02292	2.0
113.16876	1.0
152.99542	5.5
162.80055	1.1
172.59775	1.1
188.09637	1.2
197.26472	1.0
204.41333	1.0
412.18787	1.2
467.30063	3.5
471.85416	1.2
562.00085	1.2
569.31201	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	570.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68469	0.2
59.01237	2.1
61.98704	100.0
69.16335	1.3
69.16757	1.5
69.38982	0.2
71.01273	0.8
75.44783	0.3
78.12520	0.2
85.02848	0.4
89.02335	0.5
95.98674	0.2
96.95903	1.2
101.02385	0.3
101.50721	0.3
127.05129	0.4
128.03462	0.3
130.08649	0.5
137.42831	0.2
145.06155	0.7
172.07661	0.2
183.50073	0.2
306.07364	0.3
570.35687	0.4
571.30865	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	565.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.6
57.03323	3.7
58.00480	1.1
59.01250	89.7
60.01587	1.3
61.72127	0.3
67.01752	0.3
69.03325	0.8
70.78637	0.3
70.78979	0.9
71.01253	29.0
72.99193	1.1
73.02821	6.1
73.88334	0.3
78.95788	0.4
80.80395	0.3
83.01263	3.5
85.02823	14.9
85.99960	0.8
86.03144	0.4
87.00742	1.5
87.04387	1.2
89.02320	7.6
89.02843	0.6
95.01277	3.4
97.02847	0.9
99.00751	2.9
101.02326	11.4
108.02094	1.1
109.02840	0.4
111.00749	1.2
112.01570	0.7
113.02328	17.1
113.09647	0.3
114.02686	0.6
119.03391	1.7
121.02851	0.3
123.08054	0.9
124.01555	1.3
125.02335	1.5
127.11196	0.9
129.01860	0.4
134.03639	0.4
139.76813	0.3
141.09128	0.4
143.03426	2.6
143.10818	0.4
152.01068	1.3
153.09077	0.5
159.02895	1.2
160.01520	0.5
161.02043	0.4
161.04460	4.6
171.13750	1.6
173.11707	0.4
185.34314	0.3
187.13347	0.9
193.04900	0.4
193.77812	0.3
201.14853	1.7
217.14362	0.9
277.22012	0.3
315.25305	0.7
341.26877	0.4
343.28439	1.5
359.27954	0.9
361.29578	10.5
362.30029	0.8
387.16467	0.4
388.17017	0.8
389.17133	1.6
403.30573	0.6
417.32220	0.6
457.31839	0.9
469.31818	0.5
475.32706	1.3
487.32687	0.5
503.32620	0.4
505.33807	100.0
506.34109	15.8
523.34808	26.9
524.35260	3.8
565.19336	2.0
565.35675	2.7
566.19580	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	565.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89764	0.4
52.17810	0.5
54.65931	0.4
55.01738	0.5
57.03318	0.7
58.00455	1.6
59.01250	32.9
60.01555	0.5
61.98702	8.1
67.05397	0.7
69.03339	0.5
69.43829	2.9
71.01250	22.6
72.01582	0.5
72.99177	2.0
73.02828	0.7
78.95777	0.9
79.95606	0.8
83.01254	1.4
83.04907	0.5
85.02821	5.1
87.00749	1.2
89.02316	21.4
93.03359	0.4
95.01266	1.5
95.95096	1.8
96.95878	5.5
98.19798	0.9
99.04378	2.7
101.02317	11.2
109.06432	0.6
111.04403	0.4
113.02324	9.4
117.03350	0.9
118.88908	0.4
119.03388	8.2
124.05190	1.4
125.02341	0.4
125.06011	0.6
125.99438	0.4
131.03403	0.9
133.02861	0.7
133.10078	0.8
135.11688	3.5
143.03357	1.2
143.04492	0.4
145.02821	4.8
148.03937	0.7
148.96048	0.5
149.04562	0.5
150.05492	1.1
161.02391	0.9
161.04459	2.0
161.09631	5.6
166.02597	0.8
167.00002	0.7
179.05533	5.4
179.10698	33.8
180.11057	2.2
181.04964	0.6
194.04518	1.2
201.09198	0.6
205.08624	1.6
221.41354	0.4
223.09698	64.6
224.09981	4.4
237.47646	0.5
241.10692	0.4
247.09631	0.4
265.10840	1.9
268.56802	0.4
283.10770	1.0
296.09433	0.5
309.08749	0.8
327.09869	1.0
340.08176	2.5
354.06943	0.5
355.07202	0.8
359.17075	1.1
371.08746	1.1
385.10104	0.9
385.14972	7.0
386.15320	1.0
389.13120	0.5
403.16064	100.0
404.16473	10.4
445.17435	0.9
502.07080	0.6
502.13431	2.6
565.14825	3.6
565.22662	4.9
566.21918	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	565.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89764	0.4
52.17810	0.5
54.65931	0.4
55.01738	0.5
57.03318	0.7
58.00455	1.6
59.01250	32.9
60.01555	0.5
61.98702	8.1
67.05397	0.7
69.03339	0.5
69.43829	2.9
71.01250	22.6
72.01582	0.5
72.99177	2.0
73.02828	0.7
78.95777	0.9
79.95606	0.8
83.01254	1.4
83.04907	0.5
85.02821	5.1
87.00749	1.2
89.02316	21.4
93.03359	0.4
95.01266	1.5
95.95096	1.8
96.95878	5.5
98.19798	0.9
99.04378	2.7
101.02317	11.2
109.06432	0.6
111.04403	0.4
113.02324	9.4
117.03350	0.9
118.88908	0.4
119.03388	8.2
124.05190	1.4
125.02341	0.4
125.06011	0.6
125.99438	0.4
131.03403	0.9
133.02861	0.7
133.10078	0.8
135.11688	3.5
143.03357	1.2
143.04492	0.4
145.02821	4.8
148.03937	0.7
148.96048	0.5
149.04562	0.5
150.05492	1.1
161.02391	0.9
161.04459	2.0
161.09631	5.6
166.02597	0.8
167.00002	0.7
179.05533	5.4
179.10698	33.8
180.11057	2.2
181.04964	0.6
194.04518	1.2
201.09198	0.6
205.08624	1.6
221.41354	0.4
223.09698	64.6
224.09981	4.4
237.47646	0.5
241.10692	0.4
247.09631	0.4
265.10840	1.9
268.56802	0.4
283.10770	1.0
296.09433	0.5
309.08749	0.8
327.09869	1.0
340.08176	2.5
354.06943	0.5
355.07202	0.8
359.17075	1.1
371.08746	1.1
385.10104	0.9
385.14972	7.0
386.15320	1.0
389.13120	0.5
403.16064	100.0
404.16473	10.4
445.17435	0.9
502.07080	0.6
502.13431	2.6
565.14825	3.6
565.22662	4.9
566.21918	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	565.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37068	4.0
63.02275	4.3
65.00206	6.7
71.49398	4.6
83.01251	6.4
96.13831	3.6
96.95872	5.7
107.01280	17.6
108.65305	3.6
109.02831	85.0
125.02331	5.0
135.00847	4.3
151.00284	73.2
153.01836	100.0
153.22150	4.3
154.02222	6.2
163.00291	42.7
169.01300	4.8
175.00348	8.0
178.22314	4.2
178.99765	22.3
181.40620	3.3
190.99719	10.5
193.01283	5.7
206.99274	25.5
227.03384	5.3
287.33578	4.0
299.01999	5.8
317.03027	52.3
383.06357	6.2
411.05563	15.4
412.06696	6.3
521.09479	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	565.214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	3.0
59.01251	48.7
69.67552	11.1
71.01247	34.8
72.99155	2.8
78.95788	2.6
83.01248	2.7
85.02808	8.9
87.00777	3.2
89.02317	40.2
91.47168	1.8
92.72495	2.0
95.01258	3.5
96.95911	1.8
99.04393	4.1
101.02314	17.9
106.72016	1.8
111.04436	2.0
113.02334	18.8
119.03379	13.1
129.74716	1.7
131.03368	2.2
133.10153	2.7
135.11732	5.8
143.03406	3.6
150.77519	2.1
161.04446	5.6
161.09590	9.9
179.05545	11.9
179.10696	51.0
180.11092	1.9
181.07932	1.9
191.05515	4.7
223.09702	99.0
224.10081	5.8
241.10803	3.8
265.10858	3.3
309.09000	2.0
327.09747	2.8
359.16949	2.5
385.10513	2.6
385.15088	12.3
403.11823	4.2
403.16071	100.0
404.16470	12.3
408.15341	1.9
443.52869	2.2
565.21954	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	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
57.03327	2.7
58.00472	1.4
59.01249	100.0
60.01588	1.2
61.98704	0.9
62.05327	0.2
68.99693	0.3
69.03323	1.6
71.01252	35.9
71.04884	0.9
71.49153	0.3
71.49554	0.3
72.01598	0.5
72.99181	1.5
73.02817	8.1
75.00748	0.6
75.66969	0.2
81.03323	0.3
83.01255	4.6
84.02062	0.4
85.02820	17.0
85.99976	0.7
86.03183	0.4
87.00747	2.3
87.04379	0.8
89.02313	12.4
95.01257	4.3
95.04939	0.3
96.95893	0.3
97.02810	1.4
97.06460	1.5
99.00751	3.6
101.02321	20.1
102.02714	0.3
106.61229	0.3
111.00793	1.2
112.01556	0.7
112.53930	0.2
113.02327	21.0
114.02644	0.6
119.03391	4.3
121.10101	2.4
123.08014	0.2
124.01566	0.9
125.02325	1.9
125.09609	0.7
127.11210	0.6
129.01826	0.6
131.03407	0.7
133.02884	0.3
134.03635	0.7
137.09618	2.4
139.00244	0.3
143.03404	2.9
147.11693	0.2
155.10654	0.7
157.12267	1.4
159.02884	1.9
160.01556	1.3
160.02731	0.3
161.04459	10.7
162.04761	0.5
169.12158	0.3
171.10156	1.8
171.13779	0.8
173.11786	0.4
175.03949	1.2
179.05583	1.2
183.13802	1.7
185.00824	0.4
185.15369	0.9
191.05507	1.3
193.05043	0.4
201.14893	4.9
202.15262	0.3
205.03554	0.4
211.13319	0.9
229.14369	0.6
253.09305	2.7
291.19699	0.3
301.16483	1.1
319.17563	1.1
327.18192	0.5
327.21732	8.4
328.22058	0.6
329.19635	1.4
341.26941	1.6
345.19131	2.8
347.20746	1.9
348.21176	0.3
359.28040	4.0
360.28162	0.4
363.20166	1.8
371.14850	0.5
387.16620	2.5
388.17343	0.3
429.28583	0.4
433.27753	0.4
443.30185	0.4
455.30014	0.4
467.29990	0.7
473.31073	0.6
485.31525	1.2
489.16998	0.2
501.30505	0.4
503.32239	87.1
504.32553	14.6
521.33276	22.8
522.33655	3.7
563.21320	0.8
563.34479	2.4
564.34644	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	565.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.3
61.98713	2.2
63.02266	1.8
65.00198	6.7
71.01255	7.6
71.36964	2.9
72.99191	4.0
73.80286	1.4
74.02344	4.8
75.49880	1.4
78.95773	2.3
83.01264	3.3
85.02814	2.5
86.91750	1.5
89.02331	4.0
91.01759	1.6
93.03352	1.8
95.01268	3.7
98.30469	1.5
101.02340	4.5
107.01260	12.9
108.02072	2.9
109.02837	36.8
109.99961	2.8
110.53191	1.4
111.00780	4.7
113.02357	2.0
116.03447	5.7
116.92748	2.2
117.36954	1.6
118.02882	3.9
119.04886	3.6
121.02855	3.1
123.00794	4.9
125.02367	4.6
133.02788	1.8
135.00731	2.0
135.04424	1.8
136.98705	1.9
137.02347	7.3
139.00282	13.0
139.03830	2.2
144.04471	4.1
149.02373	4.3
149.15741	1.4
151.00279	47.9
151.03847	3.7
152.00647	2.6
153.00670	3.4
153.01843	40.1
154.02144	2.3
155.26190	1.5
159.04419	2.1
161.04366	2.1
162.05536	2.2
163.00298	20.1
164.00981	3.6
164.70985	1.4
165.01926	1.8
165.98969	5.2
166.99763	10.9
169.01259	1.7
175.00320	8.5
177.01823	4.2
178.99788	13.2
180.00189	3.2
181.01373	4.0
188.03413	3.2
190.99719	7.7
192.00549	2.1
193.01337	2.5
193.04872	3.7
194.99295	4.6
203.03447	3.1
206.99289	11.0
227.03494	2.8
238.25369	1.8
245.04523	2.7
255.02838	2.6
271.02478	5.3
271.06100	5.6
273.04074	3.2
299.01883	6.0
301.03375	2.1
316.02197	9.4
317.02994	100.0
318.03375	6.0
341.08710	3.7
355.11520	2.2
383.06003	5.2
411.05917	6.4
412.06274	2.8
504.32956	3.6
521.09363	33.8
522.09534	3.8
524.63953	1.8
564.30426	2.0
565.17548	2.9
566.15485	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	563.345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05971	0.2
54.45610	0.2
55.01747	1.1
55.76336	0.2
56.12201	0.2
57.03323	2.6
58.00471	1.2
59.01250	100.0
60.01590	1.1
61.98702	1.3
67.01782	0.2
69.03336	0.7
69.84480	0.4
69.84873	0.4
71.01254	29.0
71.04896	0.7
72.01605	0.3
72.99177	1.5
73.02817	5.9
75.00760	0.4
78.95782	0.2
83.01262	2.9
84.02047	0.2
85.02823	13.2
85.06483	0.3
85.99975	0.4
86.03179	0.2
87.00755	1.8
87.04398	0.2
89.02318	13.5
90.02654	0.2
93.84693	0.2
95.01261	3.4
96.95887	0.8
97.02821	0.9
99.00753	2.4
99.04470	0.2
101.02321	14.9
102.02666	0.3
107.08556	0.2
111.00767	0.9
112.01591	0.3
113.02330	19.1
114.02647	0.7
115.03885	0.2
119.03386	5.2
121.02830	0.3
121.10116	3.3
122.10495	0.3
124.01543	0.2
125.02351	1.7
125.09638	0.2
129.01807	0.5
131.03400	0.6
133.02866	0.3
134.03647	0.2
135.04347	0.2
136.01584	1.1
137.01855	0.4
143.03406	2.3
143.10703	1.7
149.04462	0.3
151.00333	0.2
151.03915	1.5
152.04269	0.6
153.04416	0.3
159.02931	1.3
160.01523	0.2
161.02470	1.1
161.04459	6.3
161.13211	0.3
162.04837	0.2
168.43581	0.2
175.03937	0.3
179.05568	1.5
183.13817	0.3
191.05574	0.2
197.15482	0.2
201.14905	4.3
202.15257	0.3
209.67839	0.2
213.14919	0.2
229.18024	0.2
287.15079	0.2
299.25967	0.3
305.16046	0.5
326.11322	0.2
327.21713	0.3
329.26849	0.4
341.26883	2.4
342.27341	0.2
345.19113	1.7
346.19608	0.3
357.13446	0.5
358.13699	0.6
359.14047	1.3
359.27988	3.9
360.28351	0.5
363.20212	3.4
364.20560	0.4
383.27811	0.3
385.30069	0.2
387.13242	0.4
467.30136	0.4
473.18076	0.6
473.31238	0.5
474.18478	0.2
485.18213	0.5
485.31180	1.1
491.19257	0.5
503.32242	58.5
504.32584	9.4
521.33270	21.0
522.33679	3.2
533.20123	0.7
545.20404	0.6
562.97662	0.2
563.18353	0.2
563.34308	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	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57454	0.3
55.01758	1.7
57.03315	3.3
58.00463	0.9
58.83337	0.3
59.01250	100.0
60.01581	1.2
61.98703	3.2
67.01755	0.4
68.99682	0.4
69.03331	1.4
69.47797	2.3
71.01253	27.2
71.04916	0.7
72.01593	0.7
72.99171	1.2
73.02819	7.8
75.00748	0.5
78.95816	0.6
83.01254	6.2
83.04904	0.4
84.02052	0.3
85.02822	16.4
85.99974	0.6
87.00743	2.0
87.04388	0.6
89.02314	5.9
95.01272	3.5
96.95895	1.9
97.02830	2.0
97.06450	0.8
98.19789	0.4
99.00745	3.7
101.02320	17.9
102.02663	0.6
102.05494	0.4
103.00248	0.3
111.00771	2.7
111.30724	0.3
112.01560	0.9
113.02333	14.7
115.03882	0.7
119.03388	1.5
121.10104	1.6
123.08012	0.4
124.01560	1.6
125.02333	2.9
125.09577	0.6
128.03468	0.3
129.01820	0.9
131.03398	0.4
133.10107	0.8
137.09622	2.5
139.00345	0.3
139.11189	0.3
141.01903	0.4
141.12753	1.1
142.02646	0.4
143.03442	3.1
155.10719	0.4
155.14357	0.4
159.02908	2.2
160.01590	0.4
161.04449	7.4
166.76735	0.3
169.12283	0.4
171.13766	1.8
175.03949	0.7
177.14056	0.3
179.05482	0.6
185.15413	0.8
191.05528	0.6
197.11748	0.4
201.13133	0.4
201.14911	4.5
205.03525	0.7
210.60907	0.3
211.16910	0.4
213.18575	0.7
271.22800	0.5
293.24890	0.6
299.25912	1.2
311.25821	0.7
315.18063	0.9
315.25482	0.7
327.21725	0.4
329.19623	0.4
333.19196	1.1
341.26929	2.6
342.38000	0.3
345.19110	2.4
347.20761	1.2
359.28055	5.7
360.28430	0.6
363.20081	2.3
377.29218	0.4
383.28156	0.5
391.54523	0.3
415.26813	0.4
429.87347	0.4
433.28094	2.0
443.30029	1.0
455.30075	1.0
459.29666	0.8
467.30002	1.3
473.31274	1.3
477.17798	0.8
483.14014	0.5
485.31046	2.2
503.32257	77.8
504.32550	13.5
521.33295	27.3
522.33685	4.2
563.17505	0.4
563.34967	2.7
564.34387	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95082	0.3
55.01757	1.1
57.03316	2.0
58.00452	1.8
58.29180	0.3
59.01250	100.0
60.01585	0.9
61.98699	1.0
69.03325	1.2
71.01254	47.9
71.50360	0.4
72.01607	1.0
72.99182	2.6
73.02818	33.5
75.00759	0.6
78.95802	0.6
79.54782	0.3
79.95629	0.8
81.03358	0.4
83.01258	12.5
84.02027	0.5
85.02822	13.5
85.06462	0.5
87.00739	3.1
88.98682	0.8
89.02317	17.7
93.03345	0.4
94.17469	0.4
95.01251	3.8
95.95092	0.5
96.95879	1.8
97.02850	1.1
97.06503	0.4
99.00771	2.4
101.02324	41.6
102.02649	0.9
108.02065	1.6
109.02833	2.2
111.00825	0.4
112.63706	0.4
113.02331	27.8
114.02687	0.5
115.03866	0.5
115.07520	0.4
119.03378	6.9
121.02840	2.5
122.03629	0.9
123.04414	2.1
124.01619	0.6
125.02349	1.3
128.03445	0.4
131.03412	3.4
134.03659	1.0
136.01523	0.4
137.02417	0.5
143.03412	4.2
143.10693	1.6
145.02884	1.6
147.02942	0.5
147.04488	0.5
148.04018	0.4
149.04460	4.2
149.05763	0.5
150.03128	0.6
151.00291	0.4
153.12764	0.5
155.03433	1.0
159.04428	3.0
160.01611	0.7
160.03909	0.7
160.05208	5.9
161.02415	0.9
161.04482	11.7
161.05972	2.1
164.04704	0.5
171.04483	0.7
172.05243	3.1
173.05960	3.1
174.06549	0.5
175.03979	0.6
175.07561	3.0
177.05542	0.6
179.05507	2.2
181.05074	0.4
187.07631	1.1
188.04678	0.6
189.05484	6.5
190.06290	7.9
203.05507	0.9
204.07948	0.5
205.08629	7.5
206.09048	0.6
221.06482	0.8
224.04796	0.4
229.18236	0.6
239.07201	1.2
260.61902	0.4
281.08255	1.9
295.09796	0.9
296.10562	4.2
311.09445	0.5
311.12817	6.3
326.11703	1.2
327.45032	0.5
329.13989	1.6
341.13916	38.4
341.26883	2.6
342.14243	4.4
349.61710	0.4
359.12970	0.4
359.28079	3.0
387.16672	0.9
399.74472	0.4
410.23862	0.4
476.80786	0.5
485.30917	2.5
503.19403	13.3
503.32193	18.4
504.20096	1.9
504.32590	2.2
521.20642	2.8
521.33240	6.3
563.22400	0.6
563.34686	0.6
564.21619	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	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
57.03322	0.7
58.00470	0.8
59.01251	48.6
60.01592	0.4
61.98702	0.7
69.80756	0.9
71.01254	13.4
72.01596	0.4
72.99162	1.1
73.02805	1.5
81.03320	0.3
83.01248	1.2
85.02818	3.9
87.00763	0.5
89.02319	9.9
89.03842	0.4
95.01261	1.0
96.95879	0.4
97.06452	0.2
98.19839	0.2
99.00780	0.4
101.02321	8.9
102.05856	0.2
109.06480	0.2
113.02327	6.8
115.00255	0.3
117.03371	1.2
119.03391	3.5
119.04807	0.2
120.17297	0.2
121.02846	0.6
125.02340	0.5
131.03386	0.2
132.02066	5.7
132.02986	0.4
133.02864	2.6
134.03638	13.5
135.04474	1.7
137.02316	0.3
143.03416	0.3
145.10117	0.4
148.04024	0.4
149.04585	0.3
149.05981	1.2
150.05554	0.3
151.08665	0.2
153.01866	0.8
160.01572	22.1
161.02356	9.0
161.03828	0.3
161.04478	0.5
162.02736	0.5
163.11203	5.7
164.11592	0.2
168.04175	0.3
175.03925	22.2
176.04295	1.2
178.02606	0.9
179.03423	1.0
191.07062	0.5
193.04979	5.0
207.10196	8.0
208.10500	0.5
217.05075	0.5
225.11337	0.7
235.06009	0.3
253.09383	0.2
295.10974	0.5
315.04895	0.3
327.22092	0.2
345.10385	0.2
359.28110	0.3
369.15506	4.1
370.15863	0.4
387.16595	100.0
388.16968	11.2
447.27512	0.2
448.26422	0.4
485.31091	0.2
488.14700	0.7
489.17502	0.3
503.32242	3.8
504.32910	0.3
514.12848	0.3
521.33160	1.4
531.18683	0.4
532.13354	0.6
563.21295	12.7
563.28680	0.5
564.21960	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	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.7
57.03331	2.5
58.00464	0.8
59.01249	100.0
60.01585	1.2
61.98700	2.3
69.03329	1.2
69.55568	1.6
69.55972	0.8
71.01250	31.1
71.04901	0.6
72.01596	0.4
72.99168	1.9
73.02817	6.6
75.00735	0.6
78.95760	0.4
79.49223	0.4
82.57006	0.3
83.01247	4.0
83.04910	0.4
85.02826	15.0
85.99994	0.4
86.03165	0.5
87.00757	1.7
87.04425	0.4
89.02312	16.3
93.06986	1.0
95.01260	2.7
96.95897	0.9
97.02842	1.3
97.06466	0.7
98.19790	0.6
99.00751	2.7
101.02318	19.3
101.58221	0.4
109.06477	0.4
111.00764	1.0
113.02323	18.4
115.04967	0.4
116.46769	0.4
117.03351	1.0
119.03391	5.4
124.01581	0.4
125.02346	1.1
129.01839	0.5
131.03363	0.6
132.02036	4.0
133.02849	2.7
134.03629	12.4
135.04488	2.0
136.01575	0.5
136.04204	0.4
137.02408	0.4
137.09686	0.8
143.03412	2.8
143.04466	0.5
147.08063	0.4
149.04471	0.7
149.05989	0.9
151.03882	0.4
151.11227	0.6
155.10728	0.4
159.02893	1.4
160.01558	16.4
161.02376	6.7
161.04446	7.1
161.05797	0.3
163.11185	5.9
164.11635	0.5
168.25829	0.3
171.10147	0.8
171.13840	1.3
175.00400	0.7
175.03914	16.0
176.04410	0.5
177.12708	0.4
178.02577	0.7
179.03290	0.8
179.05504	1.5
183.13791	0.7
190.02536	0.6
191.05563	0.9
193.04984	5.4
194.05325	1.2
195.05469	0.6
201.14856	0.7
205.05048	0.8
206.05475	0.4
207.10194	6.4
208.10478	0.5
211.13309	2.1
221.11839	0.5
229.14386	1.3
229.18028	1.0
239.12915	0.4
253.09302	2.8
291.19699	0.5
315.18066	1.7
327.21719	7.9
328.21991	0.6
333.19147	1.6
341.26904	1.1
359.28369	1.9
363.20209	0.9
369.11160	0.7
369.15424	2.5
373.22342	1.4
387.16589	73.9
388.16910	8.1
389.03561	0.4
391.23370	0.9
401.18304	2.7
415.26688	0.5
433.27972	2.0
455.30215	0.4
485.31271	0.9
503.32245	38.1
504.32617	4.9
521.33295	13.9
522.33868	1.3
563.21161	8.8
563.34088	0.9
564.22021	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	562.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
59.01250	2.2
59.59748	0.4
70.18661	0.4
70.41482	1.5
78.35905	0.4
78.95778	8.6
78.96227	0.6
85.06455	0.5
97.06447	0.6
103.89530	0.3
140.01112	3.1
152.99472	1.1
155.14331	0.9
163.11232	0.8
165.12796	1.4
181.12274	1.7
196.03749	1.7
196.12190	0.3
199.13330	26.6
200.13652	1.4
204.31273	0.4
214.04816	4.2
227.02266	0.4
263.20166	8.1
264.20599	0.9
274.26242	0.3
279.19617	2.6
347.25931	6.8
348.26221	0.8
363.25769	0.5
365.26950	100.0
366.27283	13.3
428.58792	0.4
488.27850	3.3
489.28049	0.5
562.31488	21.4
563.31781	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	563.1407
Annotation	Corymboside
Peak:m/z	Relative Intensity
54.53167	0.6
59.01250	1.2
64.72305	0.5
66.17757	0.5
69.19565	0.5
71.01249	1.7
71.50140	0.6
73.02806	0.9
93.03343	1.3
96.95870	2.5
117.03341	5.7
119.04870	1.2
125.02319	0.6
133.02792	0.8
134.03639	0.6
135.04404	2.0
147.04411	0.6
148.04080	0.7
149.02327	0.8
149.05983	0.6
159.04369	0.8
161.02325	3.2
163.03891	1.0
171.74081	0.5
173.02328	0.7
175.03893	2.3
177.01794	0.8
177.05458	1.5
179.03336	0.6
187.03932	0.8
189.01950	0.9
189.05484	0.8
191.03423	1.3
194.04533	0.7
203.03366	0.8
205.04956	0.9
221.04491	0.6
233.04463	0.8
245.04243	0.6
251.07280	0.8
258.04553	0.7
268.07327	1.1
282.05359	1.6
283.06064	3.4
295.06143	5.7
296.06766	2.9
297.07684	18.1
298.08020	2.0
307.06146	2.3
309.07724	2.6
310.04474	0.6
311.05484	3.2
316.64075	0.5
323.05551	4.1
324.06226	1.0
325.07129	8.1
326.07367	0.6
328.05768	2.6
335.05740	1.1
337.07166	2.6
341.06885	1.1
341.12140	1.3
353.06653	32.4
354.06943	3.8
354.95282	0.6
355.08130	1.0
356.05331	1.4
359.13440	1.0
365.06610	4.7
383.07700	23.1
384.07971	3.0
395.07751	3.6
407.07666	0.7
413.08563	2.4
414.08823	0.7
419.55920	0.6
425.08829	2.0
443.09775	8.5
444.10165	1.2
473.10809	7.3
503.11856	2.6
545.12793	1.0
563.14044	100.0
564.14337	15.2
564.22766	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	563.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40675	0.5
53.44628	0.5
55.01757	1.9
57.03324	2.5
58.00468	1.5
59.01251	99.5
60.01593	0.6
61.98711	2.5
69.03333	1.1
69.52614	1.9
69.53032	1.9
71.01254	31.9
72.99179	1.8
73.02821	4.8
75.00762	0.8
83.01262	3.7
84.02029	0.6
84.40381	0.5
85.02825	14.0
87.00751	1.7
89.02318	15.7
89.02840	1.0
92.47518	0.5
93.06966	1.3
95.01265	3.3
96.95897	0.6
97.02874	1.3
99.00744	2.6
101.02326	20.1
109.02837	0.6
111.00782	1.7
113.02336	16.8
117.03356	1.4
119.03377	5.3
125.02325	1.5
132.02058	5.7
133.02864	3.9
133.10117	0.5
134.03641	15.9
135.04312	2.0
137.02394	0.6
143.03395	1.3
147.08040	0.5
149.04724	0.5
149.06001	1.6
151.11212	0.8
159.02898	1.2
160.00244	1.3
160.01573	24.5
161.02371	9.3
161.04411	5.7
162.02725	0.7
163.11208	6.3
171.13893	1.3
175.03914	22.3
176.04301	1.4
178.02620	1.5
179.03424	1.3
179.05547	0.9
190.02638	1.6
191.02939	1.0
191.05592	1.0
193.04988	8.2
194.05356	2.9
195.05519	1.0
205.05081	1.4
206.05402	0.7
207.10152	8.2
221.11829	0.8
225.11417	0.6
229.18088	1.1
238.23758	0.6
238.70856	0.6
271.22830	0.6
315.18082	1.0
333.19168	1.1
341.27145	0.8
359.28180	1.5
367.10461	0.9
369.10803	2.0
369.15573	4.2
373.22281	2.4
387.16608	100.0
388.16891	11.0
391.23331	1.4
401.18152	11.5
402.18582	1.4
415.26938	0.7
433.28186	2.6
471.68927	0.5
485.31021	1.5
503.32278	43.2
504.32635	3.3
521.33289	12.4
522.34027	0.7
563.21271	13.1
563.33893	1.1
564.21674	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	561.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67998	0.6
54.81882	0.6
55.01737	0.8
56.22578	0.5
57.03296	0.6
59.01251	36.3
61.98695	1.1
62.14986	0.5
63.79192	0.5
69.03329	0.7
69.16158	3.5
69.16582	3.0
71.01256	13.6
71.04920	0.7
72.99186	0.8
73.02823	11.8
78.77769	0.6
83.01257	3.1
85.02825	4.1
87.00763	1.4
89.02307	4.7
93.03323	1.7
95.01305	1.0
96.95882	2.2
98.19803	1.2
98.95483	0.9
99.00758	1.3
101.02329	11.8
108.02063	2.1
109.02834	1.1
113.02333	6.9
115.35017	0.6
119.03396	2.3
121.02854	6.1
122.03603	2.3
123.04424	1.5
124.01546	0.9
125.02332	0.7
128.03409	1.0
131.03418	0.8
132.50929	0.6
134.03638	1.1
134.73128	0.7
135.04420	1.2
136.01563	73.0
137.02454	3.3
141.76556	0.7
143.03426	1.1
149.04477	1.6
151.03917	100.0
152.01065	1.4
152.04271	4.5
160.05130	1.2
161.02345	1.4
161.04456	3.9
162.03134	1.2
163.03925	1.2
166.02631	1.7
175.03912	1.0
175.07494	1.1
177.01874	0.6
177.05537	1.2
179.03394	1.2
181.04919	1.7
189.05481	0.8
191.05585	3.2
193.05000	0.9
197.04672	0.7
203.07152	1.0
279.06680	1.4
309.11417	2.8
311.12802	0.8
339.12372	2.6
342.11133	4.4
343.11276	0.8
357.13412	77.6
358.13681	8.5
417.15729	2.1
423.04178	1.2
501.30777	6.2
502.30585	0.7
519.31812	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	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59427	0.3
55.01760	1.4
57.03320	3.0
58.00465	1.5
59.01250	100.0
60.01588	1.1
61.98706	1.5
62.27551	0.3
67.65065	0.3
69.03338	1.1
70.52383	1.2
71.01254	32.0
71.04878	0.4
71.61398	0.3
72.01625	0.6
72.99177	1.8
73.02824	6.9
75.00758	0.5
81.03333	0.5
83.01264	3.7
83.04899	0.3
84.02047	0.7
85.02824	14.3
85.99971	0.8
87.00758	2.3
87.04407	0.5
89.02319	10.1
93.06977	0.3
95.01262	3.5
95.04962	0.4
96.95869	1.6
97.02816	1.7
97.06490	0.6
99.00758	3.4
99.04404	0.4
101.02323	15.6
111.00780	1.2
112.01547	0.8
113.02329	19.6
114.02673	0.4
115.03893	0.4
119.03387	4.6
121.10132	1.0
123.08064	0.4
124.01549	0.5
125.02351	2.3
125.09604	0.7
127.11226	0.7
128.03445	0.4
129.01894	0.4
129.09142	0.4
131.03406	0.7
137.09627	1.4
141.01910	0.4
143.03407	2.9
143.10698	0.5
153.09160	0.7
155.10693	0.6
159.02896	1.1
160.01624	0.8
161.02380	0.4
161.04459	4.7
171.13850	0.9
175.03958	0.8
179.05559	1.3
181.12357	0.3
187.13304	0.7
200.14146	0.6
201.11247	0.7
201.14870	0.6
209.11807	1.9
229.18085	0.6
293.84766	0.3
297.24182	0.4
303.23422	0.4
307.19327	0.9
321.13467	0.5
321.24506	0.4
325.20291	0.6
327.25360	0.4
339.25342	2.4
340.25827	0.5
343.17645	0.5
344.18436	2.0
345.19162	0.7
357.26431	5.7
358.26614	0.6
362.19424	1.4
371.20682	0.6
373.22305	0.5
381.26938	0.6
389.21979	0.7
394.18536	0.7
423.27393	0.4
441.28369	1.0
453.28323	0.7
465.28537	1.1
471.29926	1.5
483.29669	3.5
484.29898	0.6
501.30698	52.9
502.31067	7.0
519.31744	23.6
520.31976	3.2
543.31677	1.3
561.32458	2.3
562.26740	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	561.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.0
57.03323	2.1
58.00485	1.1
59.01252	58.0
61.98711	7.7
68.39059	0.8
69.03317	0.9
69.28197	0.8
71.00862	0.9
71.01255	16.9
71.49597	1.2
72.99171	1.4
73.02802	4.7
75.00746	1.5
79.95605	9.7
80.96395	7.9
83.01251	3.3
85.02822	8.7
87.00742	1.9
89.02322	7.4
95.01244	1.2
95.95126	1.0
96.95888	100.0
97.02824	1.9
99.00731	3.8
101.02316	9.1
103.00250	5.5
111.00770	4.4
113.02374	7.2
115.03885	0.9
116.92776	1.0
119.03415	1.9
120.95946	0.9
125.02343	2.3
129.01816	2.7
131.03377	1.3
135.04414	1.3
138.96915	2.5
152.98582	1.1
159.02855	1.6
161.04500	2.9
171.10164	2.7
176.98433	1.0
177.03947	3.1
179.03430	1.0
191.58228	0.9
194.99699	1.0
197.11821	1.3
201.03986	0.9
201.14833	0.9
209.11760	1.7
238.98656	5.7
241.00232	4.1
253.00023	1.1
253.09335	2.3
256.99686	29.4
280.99689	3.5
283.01263	2.2
299.00702	13.3
307.19052	2.7
310.08450	0.9
325.20178	4.4
345.18997	1.2
357.26407	2.3
362.19479	1.2
395.13785	44.0
396.14093	6.7
417.80283	0.9
437.14859	35.6
438.15182	2.9
445.11646	1.4
475.06531	1.1
481.13824	95.5
482.14185	14.4
483.29849	2.0
501.30731	15.2
519.31726	6.3
561.20648	1.2
561.32159	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	561.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03312	0.7
59.01249	27.2
61.98698	1.0
69.03333	0.4
69.32897	2.8
71.01252	9.8
72.99189	0.3
73.02820	2.5
74.02298	0.3
83.01245	1.3
85.02819	3.5
87.00768	0.6
89.02308	4.6
89.03835	1.6
91.01781	0.6
93.03338	1.0
95.01270	1.4
96.79460	0.3
96.95883	0.4
99.00771	0.9
101.02321	5.5
106.04108	0.4
107.04870	0.3
111.00765	0.6
113.02319	5.2
115.05021	0.6
117.03339	4.4
118.03696	0.4
119.01276	1.6
119.03390	1.6
121.02851	2.8
125.02364	0.3
132.02078	4.0
133.02834	0.9
134.03627	68.7
135.03908	3.4
137.02341	4.3
137.09615	1.0
139.00285	0.5
139.03865	1.5
143.03436	0.4
146.06032	0.4
147.00784	2.0
147.04434	0.5
149.02342	8.0
149.05986	10.0
150.02911	0.5
150.06287	0.3
150.37599	0.3
151.03880	0.3
152.01045	0.7
153.96524	0.3
159.02873	0.5
160.01567	14.0
161.02151	1.3
161.04404	1.4
163.03923	2.9
164.04694	7.2
165.01793	1.4
165.05286	0.5
166.02580	0.3
171.13844	0.3
172.32480	0.3
174.02991	0.2
175.00296	12.3
175.03906	14.7
176.00803	0.7
176.04338	0.5
177.01834	1.2
177.05507	0.3
178.02625	17.3
179.03062	0.7
179.05579	0.4
179.06989	1.7
179.91560	0.3
189.01831	0.5
190.02641	38.5
191.03072	2.5
191.05505	0.3
192.04156	0.6
193.04985	100.0
194.05327	5.0
205.04999	45.4
206.05359	2.9
207.02945	2.1
208.03746	2.0
209.04491	0.4
213.88866	0.3
217.01360	0.9
217.04936	0.5
221.08080	0.4
223.06062	15.4
224.06395	0.8
228.03337	0.4
229.17763	0.3
232.03758	1.5
247.06110	3.3
248.06223	0.3
319.17505	0.5
321.24399	0.4
337.05569	3.3
337.09299	3.4
338.09583	0.5
339.25381	0.9
345.18890	0.4
352.07968	7.1
353.08496	0.8
357.26425	0.7
362.19412	0.5
367.10312	44.7
368.10690	4.7
373.22025	0.5
385.10974	0.5
391.23578	0.3
399.16721	0.6
453.12466	0.3
465.28564	0.4
483.23581	0.4
483.29663	2.1
501.30667	9.3
502.31528	0.4
519.31726	2.9
561.16541	1.0
561.31439	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	560.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76463	0.8
55.01758	3.6
59.01245	0.8
61.98704	0.8
67.01757	1.3
69.03326	100.0
70.03661	1.7
72.99201	1.9
79.01774	1.6
85.02842	1.1
85.90146	0.7
88.60152	0.7
95.01254	2.7
97.02831	20.7
98.19866	2.2
99.00756	27.3
110.68615	0.7
114.71533	0.9
123.00769	1.5
141.01816	6.6
152.03468	0.7
162.05519	3.4
185.00845	71.0
186.01183	2.1
188.41267	0.7
224.04771	1.5
225.05566	2.6
252.04359	1.4
253.04979	4.6
254.08243	2.7
270.05344	3.7
271.06149	2.3
282.07663	1.3
285.07785	2.3
286.08417	2.5
300.08704	8.9
301.10889	2.6
315.11163	9.7
316.11526	1.1
330.13455	21.4
331.13882	1.9
374.12405	25.6
374.17145	1.4
375.12872	2.2
560.14551	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	560.178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06993	3.9
57.03038	3.7
58.95686	4.4
59.01254	38.7
61.98706	12.5
69.03334	7.8
70.94987	3.6
71.01254	18.9
71.49406	4.8
78.72551	4.1
78.95779	3.8
79.72659	3.7
80.60804	4.1
87.00745	6.2
88.98702	6.0
89.02326	5.9
89.37385	4.1
96.95885	12.2
101.02335	7.4
102.05500	6.4
106.05848	7.4
106.06509	95.4
108.08051	5.8
109.02818	4.2
113.02318	9.5
113.03425	9.5
120.08071	3.8
121.02856	4.7
125.02316	7.8
127.04965	5.9
127.26259	5.0
128.03426	20.0
130.08620	6.7
130.54965	4.4
134.03601	8.0
135.04405	20.0
146.04489	6.4
148.04080	9.6
148.05196	49.4
149.02373	7.1
149.05872	4.0
150.05504	86.7
160.01520	8.0
161.02345	15.5
164.07057	18.5
164.31725	4.2
165.05530	6.9
174.01617	4.7
175.03960	11.9
178.05017	23.0
185.00934	5.2
190.05040	10.0
191.05411	7.4
192.06602	12.6
193.04893	5.8
194.04585	28.1
209.52763	4.4
236.05598	7.5
297.09995	6.3
310.10840	15.4
312.12421	100.0
313.12738	10.1
328.11801	5.4
356.09851	28.0
357.10080	7.2
380.17169	6.2
398.10812	40.4
408.10782	5.3
465.16006	4.9
560.23401	14.1
561.23846	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.9
61.98701	85.1
71.02942	0.8
71.51207	1.1
75.67133	0.8
78.95773	10.0
91.82415	0.8
95.45583	0.8
104.15984	0.7
110.15313	0.8
127.32169	0.9
140.01053	2.5
152.99426	1.3
165.93855	1.2
179.81931	1.0
196.03732	1.9
214.04834	3.2
277.21710	100.0
278.22049	13.1
279.22284	1.1
362.19479	3.4
474.26215	33.3
475.26440	6.8
559.23993	18.4
560.24255	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	559.276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10901	3.9
59.01252	100.0
61.98703	14.1
69.42791	38.5
70.85031	4.8
71.01272	21.1
73.02807	9.4
78.95790	8.8
85.02835	7.2
87.00753	8.3
87.04371	4.8
89.02290	5.2
90.30463	4.3
93.56580	4.8
95.04936	4.8
99.00762	7.8
101.02309	12.3
103.30203	4.2
110.08801	4.7
111.00794	5.2
113.02323	9.7
119.03381	5.1
125.09708	5.4
145.65445	4.6
171.01913	4.2
171.10251	5.0
171.94864	4.6
209.11760	16.0
223.16887	7.5
225.11357	5.5
270.82324	5.0
293.21338	11.0
305.17627	8.6
311.22217	8.0
455.26303	7.8
473.27576	17.7
499.29407	5.9
515.28735	61.5
516.28253	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	559.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.8
57.03325	5.1
58.00465	0.7
59.00963	0.7
59.01249	13.6
61.98705	0.6
63.38897	0.3
67.01779	0.5
68.99677	1.0
69.03319	0.7
71.01254	27.6
72.99180	4.9
73.02821	4.0
74.53870	0.3
75.00747	29.0
78.95756	0.4
83.01262	4.7
84.02042	1.0
85.02824	36.5
86.03147	0.8
87.00749	8.0
89.02316	3.2
95.01268	4.8
97.02837	0.8
98.20641	0.7
99.00756	11.4
101.02321	5.4
103.00229	1.6
111.00767	5.7
112.01544	0.6
113.02332	35.0
114.02655	1.1
115.00268	2.7
116.00999	0.6
117.01807	1.5
119.03367	0.5
125.02306	0.7
129.01845	2.1
131.03416	0.6
133.01292	0.4
139.00287	0.4
141.01801	0.7
157.01317	1.3
159.02878	1.2
161.04488	1.7
173.04422	0.6
175.02414	4.4
211.71277	0.4
253.18639	0.4
335.06250	3.8
336.06543	0.4
383.23996	0.4
499.25317	0.6
541.26471	0.9
559.27557	100.0
560.27899	17.1
560.36884	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	559.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.3
67.49199	0.4
69.18566	4.4
70.94648	0.4
71.01249	3.2
73.02831	0.5
75.98191	0.4
78.95808	0.5
83.01254	0.4
85.02799	0.5
87.00751	0.7
89.02303	2.5
96.37032	0.4
98.20551	1.0
101.02328	3.7
113.02343	1.3
119.03367	0.9
161.04436	1.0
173.99539	0.5
213.78333	0.4
235.08145	1.9
242.91515	0.6
253.09265	18.1
254.07047	0.5
254.09700	0.5
262.87329	0.5
275.20511	0.4
277.21716	100.0
278.22034	9.8
444.81815	0.4
569.29620	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	559.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30956	0.8
56.79089	0.8
57.03329	0.7
59.01252	19.1
59.24558	0.7
61.98706	37.9
69.13737	0.8
71.01250	4.0
71.50078	1.3
78.23275	0.9
78.95780	14.2
83.87170	0.7
85.02852	0.8
89.02316	3.4
101.02295	3.9
113.02324	2.1
123.21679	0.8
140.01070	3.0
149.72870	0.7
152.99489	1.8
161.04453	2.1
196.03703	6.4
214.04771	0.9
235.08119	1.9
253.09264	15.5
254.09578	0.8
261.18512	0.8
263.20148	100.0
264.20517	11.1
277.21732	38.3
277.24896	1.0
278.22018	4.2
312.35699	0.9
337.33090	0.8
372.69812	0.9
474.26306	25.2
475.26538	5.4
559.23822	9.7
560.24408	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	558.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75068	0.7
57.69884	0.7
71.50681	1.1
78.95772	9.4
103.14616	0.8
115.91936	1.0
116.92731	1.2
140.01064	2.5
152.99446	1.5
159.62831	0.8
176.89922	0.9
196.03745	1.9
199.55794	0.9
213.16286	0.7
214.04855	3.2
258.49319	0.8
279.23279	100.0
280.23621	11.8
476.27762	28.4
477.28168	3.8
558.26660	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	559.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72267	0.3
55.01759	0.3
56.39537	0.3
57.03323	0.3
59.01247	8.1
59.84693	0.3
60.19630	0.3
61.98700	0.9
65.03831	0.5
69.03325	2.6
69.33906	0.6
69.34311	1.9
69.63322	0.3
71.01249	4.7
72.99168	0.5
73.02813	1.6
78.95776	0.5
79.95602	4.1
80.96384	1.3
83.01243	0.4
85.02823	1.4
87.00753	0.4
89.02315	2.5
93.03333	30.5
94.03671	1.0
95.01274	0.6
95.95098	0.3
96.95886	100.0
97.02831	0.4
97.95834	0.3
99.00751	1.3
99.92439	0.8
101.02325	2.7
106.00471	0.5
110.97456	0.7
111.00773	0.4
113.02328	2.5
115.91965	2.0
116.92742	6.7
119.03388	1.0
119.04901	0.3
121.02850	10.2
125.02316	0.6
125.15527	0.3
127.00288	0.4
128.03462	0.6
128.12102	0.3
131.03423	0.3
137.02347	41.6
138.02650	1.8
138.96964	0.6
139.00279	0.3
139.04013	0.3
141.01826	0.5
143.03453	0.3
143.04506	0.3
149.04572	0.4
150.96962	0.7
153.05479	8.8
154.05782	0.5
161.04433	1.1
164.35732	0.3
164.98589	0.4
166.99712	0.4
179.05531	0.5
182.02171	0.8
185.00844	1.7
197.04483	19.2
198.04816	0.7
203.02063	0.3
216.98065	0.4
222.99081	2.3
241.00198	8.0
277.00333	0.5
306.07321	0.4
373.18512	0.4
406.02237	0.6
421.04437	73.8
422.04709	6.4
479.25070	0.6
499.29263	1.1
517.30096	0.5
558.26862	0.4
559.07513	6.2
559.14581	0.6
559.21246	0.8
559.28052	0.4
560.07727	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	559.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34916	0.1
51.55599	0.1
57.03334	0.7
58.00487	0.1
59.01248	3.8
60.99164	0.6
61.98692	0.5
66.41247	0.1
67.01755	4.1
68.02074	0.1
69.03328	1.7
69.20287	1.2
69.20710	0.3
71.01251	3.9
71.04865	0.1
72.99173	0.3
73.02811	0.4
81.03321	0.8
81.50546	0.1
83.01254	0.3
83.04899	1.0
85.02803	0.9
87.00741	0.3
89.02325	0.7
93.03334	23.7
94.03694	0.7
95.01259	0.3
96.95877	2.1
97.02820	0.3
98.19810	0.2
98.95452	0.3
99.00755	0.7
99.04368	0.3
101.02312	0.8
109.02856	0.8
111.00790	0.8
111.04404	3.9
113.02327	1.3
115.03916	0.1
119.03403	0.3
119.04903	0.2
121.02856	1.4
127.03918	0.3
128.03435	0.3
132.02110	0.3
133.02834	0.7
135.04472	0.9
137.02342	3.7
147.04445	1.1
149.02344	11.7
150.02713	0.5
152.01059	0.2
155.02214	0.3
155.03407	4.3
156.03786	0.2
157.82698	0.1
161.02339	1.3
161.04561	0.2
164.04707	9.6
165.05066	0.5
173.04468	100.0
174.04797	3.6
179.03461	0.7
179.05589	0.2
179.07053	0.8
185.00845	0.7
191.05560	1.1
191.33266	0.1
195.04234	0.1
203.02080	0.1
208.03690	0.3
211.13387	0.2
223.06071	14.7
224.06389	0.8
335.08014	0.3
373.18567	0.1
397.11392	30.2
398.11749	2.6
438.24783	0.2
499.29370	0.7
517.30029	0.3
558.26917	0.3
559.20428	0.2
559.27441	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	557.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89429	0.1
55.01772	0.3
55.86180	0.1
57.76903	0.1
59.01250	2.2
61.98694	1.1
69.03325	5.4
69.21956	1.2
69.85981	0.1
71.01254	0.9
72.99207	0.2
73.02820	0.2
79.01752	0.1
79.95609	3.5
85.02824	0.4
89.02325	0.5
96.27077	0.2
96.95887	100.0
97.02811	1.4
97.95825	0.3
99.00762	1.4
101.02318	0.6
103.50058	0.1
112.11132	0.1
113.02330	0.4
119.03437	0.1
125.02274	0.1
128.03423	0.2
133.02832	0.2
137.02263	0.1
141.01836	0.4
148.03854	0.2
161.02356	0.2
161.04590	0.2
164.04553	0.1
173.04480	0.2
185.00821	3.6
203.01857	0.2
205.04962	0.1
205.80611	0.1
223.06178	0.1
557.26312	45.8
558.26678	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	557.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89429	0.1
55.01772	0.3
55.86180	0.1
57.76903	0.1
59.01250	2.2
61.98694	1.1
69.03325	5.4
69.21956	1.2
69.85981	0.1
71.01254	0.9
72.99207	0.2
73.02820	0.2
79.01752	0.1
79.95609	3.5
85.02824	0.4
89.02325	0.5
96.27077	0.2
96.95887	100.0
97.02811	1.4
97.95825	0.3
99.00762	1.4
101.02318	0.6
103.50058	0.1
112.11132	0.1
113.02330	0.4
119.03437	0.1
125.02274	0.1
128.03423	0.2
133.02832	0.2
137.02263	0.1
141.01836	0.4
148.03854	0.2
161.02356	0.2
161.04590	0.2
164.04553	0.1
173.04480	0.2
185.00821	3.6
203.01857	0.2
205.04962	0.1
205.80611	0.1
223.06178	0.1
557.26312	45.8
558.26678	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	557.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89715	0.1
59.01246	0.9
60.01592	0.1
61.98701	100.0
62.98396	0.1
70.86616	0.1
71.37079	0.1
77.23790	0.1
78.95774	1.2
80.96381	0.4
82.95985	0.3
94.97987	0.2
112.62064	0.1
152.99496	0.4
160.55238	0.1
167.74146	0.1
174.21445	0.1
184.04749	0.1
184.73904	0.1
205.59877	0.1
222.75040	0.1
224.06837	0.1
224.76895	0.1
255.23262	2.4
256.23608	1.9
257.23856	1.1
258.24121	0.6
400.46912	0.1
480.30991	0.9
481.31427	0.4
482.31406	0.6
483.31857	1.9
484.32907	0.1
521.06006	0.1
557.28088	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	557.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52098	0.2
59.01242	0.5
61.10958	0.2
61.98701	100.0
62.98421	0.2
63.78670	0.2
71.49676	0.2
71.50064	0.3
78.95795	0.8
83.14020	0.2
88.06705	0.2
147.66704	0.2
152.99512	0.7
167.01115	0.5
168.62448	0.2
191.96660	0.2
242.34227	0.3
245.04333	0.5
255.23332	2.2
256.23688	1.4
257.24020	0.6
258.24277	0.4
330.65485	0.2
356.21158	0.2
413.98532	0.2
480.30600	0.5
482.31488	0.3
483.31845	0.5
557.33240	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	556.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.6
61.98694	1.0
68.40194	0.5
78.95779	13.2
102.93058	0.5
121.99995	0.6
140.01082	3.4
146.58562	0.4
152.99432	1.5
172.30176	0.5
196.03766	4.1
196.89394	0.7
214.04800	2.8
229.62361	0.7
233.22812	0.7
275.20081	0.8
277.21722	100.0
278.22107	9.5
290.77185	0.4
375.83298	0.5
474.26227	27.4
475.26651	5.1
556.25641	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	556.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09093	1.1
54.63301	1.1
56.62298	1.0
59.01250	1.9
61.98676	1.4
71.50096	1.5
78.95778	36.2
79.23129	1.1
81.96127	1.4
90.92335	1.3
97.55866	1.1
140.01080	10.3
152.99515	3.9
196.03746	16.5
214.04771	3.4
277.21719	100.0
278.22092	10.7
474.26227	76.6
475.26505	11.5
556.24536	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	556.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09357	1.4
59.01233	3.9
70.06787	5.4
71.01266	4.1
73.50304	1.2
78.95776	3.9
80.96406	1.7
82.95966	2.5
87.00685	1.2
89.02322	2.1
101.02328	4.1
103.50097	1.5
110.47903	1.2
129.58160	1.2
131.48279	1.5
137.99339	1.3
138.01961	1.3
161.04451	1.7
174.08447	1.3
233.08525	1.5
235.08133	3.2
253.09221	16.4
277.21710	100.0
278.22061	9.1
279.23282	25.0
280.23596	3.4
472.89822	1.7
504.31213	6.2
556.27191	7.1
557.27844	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	556.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38831	0.5
59.01246	1.5
61.05849	0.4
61.98705	7.1
69.17664	0.7
69.18065	4.2
71.01243	1.6
75.20608	0.3
78.95770	7.2
78.98456	1.6
79.73460	0.4
79.95600	2.3
80.96391	14.9
81.96367	0.5
82.95976	1.0
85.02804	0.7
87.00770	0.7
88.64056	0.5
94.10371	0.4
94.97972	3.5
101.02310	0.5
106.97952	0.9
122.97449	1.1
125.02316	0.9
134.97462	1.0
148.99028	0.7
152.98497	1.2
152.99524	1.2
164.98535	2.0
168.04193	1.5
224.06819	0.9
225.00723	2.5
225.02477	0.4
226.00887	0.7
242.08061	2.0
243.01987	0.5
255.23322	2.4
256.23621	1.7
257.23901	1.6
281.24847	100.0
282.25220	9.3
299.04398	0.8
482.31516	1.8
506.32489	28.1
507.32837	5.0
556.28754	25.0
557.28632	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	556.9356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.0
59.74182	0.7
64.14142	0.8
67.01763	1.4
71.49310	1.3
75.36164	0.8
78.95777	1.8
85.02816	12.5
87.00748	27.1
96.95907	2.0
96.96803	1.1
111.00761	82.2
112.01096	4.2
117.54233	0.9
129.01819	4.4
159.14949	0.8
173.00781	4.7
175.99550	0.8
191.01889	100.0
192.02200	5.8
213.00128	1.0
217.92198	0.8
222.24994	0.7
321.82645	0.9
364.89899	1.2
389.42413	1.0
458.95786	9.9
459.95825	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	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46180	0.2
59.01250	15.3
59.37346	0.2
61.98682	0.5
62.36671	0.2
71.21056	0.3
75.04420	0.1
78.95775	4.7
80.96378	0.5
84.62061	0.2
109.37534	0.2
114.40040	0.2
132.60474	0.2
133.31296	0.2
146.27632	0.1
152.99498	1.2
168.04248	1.2
224.06866	0.8
242.07927	2.4
255.23267	100.0
256.23615	9.2
256.26434	0.3
472.34982	0.2
474.70148	0.2
480.30957	29.1
481.24731	0.3
481.31259	4.2
554.26947	0.9
555.28229	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	555.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.4
61.97313	0.2
61.98705	1.3
69.03319	3.0
71.01257	1.1
71.49269	0.3
73.02806	0.4
74.34865	0.3
75.00740	0.4
85.02800	0.4
87.00710	0.3
89.02335	0.5
89.03847	1.3
93.45175	0.2
93.97056	0.2
95.01263	1.0
96.95890	2.5
97.02834	1.1
97.63605	0.3
101.02321	0.8
106.04102	0.5
109.02785	0.3
113.02329	0.8
117.03340	6.7
118.03626	0.4
121.02849	0.3
123.00784	1.6
133.02892	0.4
134.03629	69.1
135.03946	2.8
135.20630	0.3
137.02341	1.1
139.03937	0.4
141.01793	1.5
142.02155	0.3
149.05991	5.6
150.03084	0.4
150.06282	0.4
151.03790	0.3
160.01584	0.4
161.02415	0.5
166.99756	0.4
175.03955	0.8
178.02617	3.3
185.00838	1.6
192.04231	0.3
193.04985	100.0
194.05324	5.6
214.06242	0.3
229.08600	0.6
245.08240	0.4
327.21893	0.5
361.05591	0.6
379.06570	0.9
430.67047	0.3
510.88831	0.3
555.24609	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	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01247	0.9
63.96113	0.9
69.03340	0.4
71.01255	6.2
71.07546	0.4
71.07867	0.6
73.02823	1.6
78.98460	5.8
79.95609	7.8
80.96391	60.2
81.03327	0.6
82.39721	0.4
85.02821	2.5
87.00764	1.9
94.97962	15.4
95.01290	0.4
95.07360	0.4
96.95889	1.0
97.02818	1.6
99.00766	0.4
101.02315	2.5
106.97962	2.8
113.02298	0.4
122.97473	5.5
125.02342	3.6
127.03875	0.6
134.97482	4.2
136.99028	1.6
148.97957	0.5
148.99045	5.3
152.97423	0.6
152.98555	6.9
153.90990	0.3
156.43167	0.3
164.97145	0.5
164.98537	10.0
167.00230	0.3
172.59064	0.3
182.99637	2.6
206.99631	3.1
225.00688	19.0
226.01018	0.7
229.20747	0.3
243.01743	2.0
255.23254	3.4
288.85141	0.4
299.04413	3.0
318.66541	0.3
331.87924	0.3
555.28424	100.0
556.28784	18.5
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	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01242	1.4
61.98678	1.7
63.96104	1.4
71.01248	6.9
71.51041	1.2
71.51395	1.3
78.98470	6.1
79.41755	1.2
79.95599	8.1
80.96389	58.5
85.02830	2.7
87.00716	2.2
94.97974	14.1
97.02799	1.4
101.02309	2.1
106.97958	4.3
122.97437	1.6
125.02306	3.4
134.97461	5.2
144.36174	1.1
148.99023	4.5
152.98517	4.7
164.98521	10.5
206.99649	3.2
224.98640	1.8
225.00685	15.9
255.23276	2.0
257.23972	1.2
299.04477	3.4
364.11661	1.3
375.54758	1.3
488.67148	1.5
490.75543	1.2
555.28394	100.0
556.28790	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	554.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65022	0.9
59.01247	3.0
61.98708	1.1
71.07644	1.9
71.07989	1.2
73.54929	1.0
88.98643	1.1
94.06482	5.9
96.95866	1.6
107.03641	10.8
108.04447	1.1
112.68988	0.8
120.04415	1.8
122.02322	1.3
122.06001	65.3
123.06374	2.6
124.07552	1.8
125.71289	0.9
131.56958	0.9
134.06006	2.8
136.07681	1.1
139.02628	5.3
140.12134	1.0
152.07072	100.0
153.07333	4.5
161.02390	0.9
164.16397	0.9
166.05002	1.4
168.61963	1.0
175.03986	0.9
190.05042	1.2
210.09308	2.1
211.08626	1.0
213.10277	3.8
222.07904	1.6
225.06592	2.9
225.10306	2.2
237.06668	3.8
237.10208	11.3
238.07263	2.9
238.08830	1.6
238.10834	1.3
239.08218	2.8
247.08781	1.3
250.07393	2.4
251.08269	6.0
252.05377	1.4
252.08842	2.9
252.65810	1.0
253.09828	9.8
254.09993	1.3
256.71628	1.0
263.08249	2.6
264.08893	1.7
265.06097	9.1
265.09802	5.6
266.06970	19.4
267.07355	2.7
277.05914	1.1
278.06949	6.6
279.07681	4.6
280.08539	5.8
281.09290	90.3
282.09613	8.3
293.09311	45.9
294.09827	7.4
313.11792	9.5
325.12100	1.1
402.18100	3.0
418.17700	4.5
446.17169	99.2
447.17520	13.2
450.20358	1.5
478.19812	33.7
479.20001	4.0
490.16174	43.4
491.16403	7.5
503.83389	1.1
522.18756	94.3
523.19086	14.7
554.22491	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61839	0.4
59.01234	0.7
61.98688	1.5
69.29336	1.8
69.29758	2.5
78.95778	23.0
80.96385	0.7
81.36742	0.4
94.56883	0.4
94.97806	0.5
98.19785	0.9
103.43056	0.4
117.89128	0.5
134.05144	0.4
152.99522	4.0
168.04225	3.8
200.82468	0.5
224.06880	11.1
242.07890	3.0
272.70166	0.4
278.75467	0.5
279.23288	100.0
280.23636	9.6
327.12747	0.6
414.47980	0.5
504.30978	64.4
505.31320	11.3
554.27173	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	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55661	0.2
58.83035	0.2
59.01247	0.5
64.09794	0.2
64.44180	0.3
65.66644	0.2
66.77114	0.2
71.49728	0.4
77.54679	0.2
78.95773	5.9
79.95557	0.2
80.96397	1.6
83.24216	0.2
94.97951	0.4
127.36845	0.3
152.99481	1.0
159.38722	0.2
164.98634	0.3
168.04185	1.5
181.26295	0.2
224.06903	0.7
242.07942	2.6
261.22290	0.4
279.23276	100.0
280.23621	10.0
346.15491	0.3
504.30963	31.4
505.31293	4.8
554.27295	3.1
555.27344	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	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34193	0.2
59.01254	25.3
70.79409	0.5
70.79781	0.5
71.01266	0.4
71.52474	0.2
73.02797	0.2
78.95779	20.0
79.95600	0.5
80.96398	2.6
94.97941	0.7
96.96883	0.3
122.98387	0.3
134.97430	0.3
150.00777	0.2
152.98488	0.4
152.99521	2.9
164.98555	0.4
168.04259	3.2
183.27124	0.3
214.45837	0.3
224.06895	8.3
225.00674	0.8
225.07162	0.3
242.08028	1.8
255.23288	100.0
256.23639	9.1
359.39575	0.3
480.30966	61.1
481.31311	8.6
554.27155	0.8
555.28400	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	554.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.4
60.64929	0.5
61.98699	3.3
69.34109	4.4
71.01260	2.7
75.00751	0.7
78.95801	0.9
85.02809	0.6
88.98701	0.9
89.02316	1.7
92.04956	0.6
94.06506	1.6
96.95885	3.9
99.00755	0.7
101.02349	1.0
106.06549	0.7
107.03649	7.6
107.62620	0.6
110.02370	0.5
111.00808	0.6
113.02325	1.7
115.94532	0.5
116.04955	6.5
120.04519	0.8
121.05206	0.8
122.06004	48.7
123.06382	2.3
123.08032	1.0
124.03941	2.9
128.03484	0.7
132.04425	6.7
134.03685	2.6
134.06003	1.7
135.04434	0.6
137.02330	1.0
139.02664	3.5
145.02847	1.4
148.03935	0.7
149.04633	0.6
150.05528	1.4
152.07076	100.0
152.99529	0.8
153.04245	0.6
153.07431	4.2
158.02357	1.3
160.01781	0.7
160.03951	18.5
161.02328	0.6
161.04387	0.9
164.03468	2.0
164.07076	6.3
166.04967	1.5
168.70021	0.6
171.10162	0.6
172.03960	1.2
175.03828	0.6
176.03456	1.4
177.75107	0.5
185.08095	1.2
190.05029	8.2
191.05562	0.7
192.06584	94.4
193.05011	3.8
193.06915	5.1
196.06116	0.9
204.06674	2.9
207.10234	0.6
217.10771	0.7
227.11992	0.6
227.24411	0.5
293.53070	0.6
325.11871	5.0
329.15018	0.6
355.12979	10.7
356.13324	1.6
357.14539	71.8
358.14880	9.2
387.16483	0.9
392.20050	0.6
402.71616	0.6
417.05457	1.2
466.67703	0.5
468.17813	2.5
490.15784	0.9
522.18677	3.2
536.19965	0.9
549.96991	0.6
554.21191	6.2
555.24817	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	554.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
61.98701	1.3
69.27213	1.3
69.27612	4.4
80.40705	0.5
88.98690	3.6
92.04937	0.6
94.06500	4.1
96.95890	1.0
98.20599	1.0
106.06464	0.7
107.03647	8.8
111.00731	0.6
120.04448	1.1
122.06007	55.5
123.06366	2.1
124.07569	1.5
132.04424	2.6
134.06010	2.0
138.67349	0.6
139.02672	3.6
148.03909	0.5
150.05492	1.1
152.07079	100.0
153.07465	4.6
158.02379	0.9
160.03922	1.5
162.05548	0.7
166.05025	1.3
180.06596	0.8
181.07605	0.6
190.05057	3.7
192.06635	2.3
209.10785	1.8
210.07755	1.0
213.03078	0.6
213.10243	6.0
222.07904	1.9
225.06668	2.2
225.10283	1.8
234.07828	0.8
237.06682	1.3
237.10275	22.1
238.07401	2.6
238.10704	1.6
239.08316	1.3
247.08603	0.6
249.06702	1.0
249.10394	0.8
250.08849	0.9
251.08281	4.9
252.05386	1.0
252.08842	1.4
253.09871	7.3
254.10559	1.8
263.08292	2.2
264.09009	0.7
265.06207	7.0
265.09784	2.8
266.06955	12.6
267.07468	1.7
270.11227	0.6
277.06305	1.4
278.06976	4.4
279.07742	4.1
280.08517	5.0
281.09305	60.7
282.09650	5.5
283.10788	0.6
284.08069	1.4
293.09308	28.3
294.09866	4.8
297.08829	0.7
298.05786	0.6
299.10287	0.6
301.03671	0.7
302.03958	1.0
313.11938	10.3
314.12308	2.0
325.12030	1.1
327.13593	0.6
341.11533	1.7
355.12976	2.4
374.18472	0.8
378.18427	1.6
402.18216	6.9
403.18643	1.0
418.17667	4.1
446.17181	40.8
447.17599	5.3
450.20538	1.4
464.09470	0.7
478.19827	54.5
479.20102	10.3
490.16199	14.8
491.16510	2.5
510.22375	12.7
511.22726	2.2
522.18823	62.6
523.19122	12.1
554.21368	12.6
554.29449	0.9
555.22266	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	553.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.0
61.36149	0.3
63.96091	1.1
69.03340	0.5
69.79719	2.1
71.01247	6.9
73.02820	1.7
78.95769	0.9
78.98465	5.5
79.95604	10.0
80.96387	62.3
81.03326	0.9
83.62480	0.4
85.02823	2.5
87.00745	2.7
89.31137	0.4
94.33456	0.3
94.97956	15.7
96.95890	1.3
97.02823	1.6
98.19781	0.5
99.00728	0.7
101.02316	2.5
106.97957	4.0
113.02242	0.4
121.56790	0.4
122.97461	5.0
125.02335	3.1
127.03908	0.7
134.97466	4.4
136.99020	1.4
148.99039	5.9
152.98524	7.4
152.99667	0.7
164.98543	10.7
182.99617	2.5
206.99574	2.7
211.28644	0.4
220.13040	0.5
225.00687	17.4
243.01788	1.7
253.21683	3.5
254.22017	0.7
279.23340	1.6
299.04410	2.8
504.31351	0.6
553.26837	100.0
554.27167	14.7
554.35663	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	554.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.4
61.98707	7.2
64.97600	1.5
65.50043	1.4
67.33405	1.2
69.23824	3.0
69.24229	11.5
71.01238	4.6
73.02817	2.2
83.01238	1.7
89.02322	2.7
93.03336	5.7
95.01216	1.7
96.95900	4.8
98.20573	3.3
101.02309	2.7
106.02876	1.7
107.04832	1.9
108.02026	5.9
109.02865	7.0
111.00723	2.4
117.03346	4.5
119.04907	13.3
121.02822	14.9
122.03584	5.1
123.04393	5.4
124.85278	1.4
125.02317	1.9
132.02051	5.1
133.02814	6.3
133.05280	7.1
134.03650	11.4
134.06018	8.8
135.04405	7.3
136.01552	44.6
137.02245	2.9
145.02832	3.5
147.03177	2.2
147.04408	3.3
148.03958	32.2
148.05153	1.2
149.02357	12.7
149.04701	16.6
149.05968	6.6
150.03123	48.3
150.05534	2.1
151.00258	3.0
151.03920	53.3
152.00992	2.5
152.04256	3.1
153.05392	2.5
160.01645	10.9
160.03970	18.0
160.05197	3.2
161.02357	56.7
162.02740	2.5
162.05515	7.5
163.04007	1.9
163.06297	20.7
164.04649	5.2
164.06834	1.5
165.01700	1.4
165.05487	41.2
166.02602	4.3
166.05812	2.2
172.03955	2.6
173.02359	1.9
175.03922	18.0
176.04633	3.2
178.04919	2.2
180.04199	3.5
180.06575	2.4
181.04970	5.4
188.03426	2.3
189.05522	1.6
190.04919	1.9
191.03429	1.4
191.07016	3.5
195.06587	18.5
202.05008	3.1
209.11697	4.7
210.27055	1.3
219.06511	4.2
220.06174	1.7
221.08139	3.0
225.05449	2.0
234.07686	2.9
269.08328	1.5
282.05228	6.4
282.08798	4.3
287.09314	1.5
297.07831	8.0
298.10962	2.8
312.10010	9.9
313.10608	3.3
315.07098	1.5
325.09470	5.6
327.08810	2.0
327.12372	16.7
340.11884	100.0
341.12256	12.1
342.11203	2.0
354.13492	8.1
357.13370	6.2
358.12991	32.4
359.13303	2.8
370.47244	1.6
382.13031	4.9
383.10010	3.9
398.12534	6.6
399.12830	2.1
400.13879	2.4
401.12454	3.0
442.14865	2.5
458.12289	3.2
488.17593	27.5
489.17249	4.5
503.15936	5.0
506.18069	3.7
507.20154	6.0
518.18219	43.6
519.18805	6.9
521.17212	1.7
536.19324	42.0
537.19177	7.2
553.80475	1.8
554.19995	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.6
59.18007	0.5
67.88384	0.5
70.66101	0.6
70.66428	1.3
71.01257	4.0
83.01232	0.9
85.02808	0.6
87.64805	0.6
89.02318	4.2
91.11934	0.7
94.59570	0.5
97.31337	0.6
101.02335	2.9
109.63354	0.5
110.94287	0.5
113.02331	2.0
119.03406	0.8
127.73417	0.5
154.12308	0.6
161.04469	2.1
235.08224	1.9
253.09265	17.0
254.09630	0.8
255.23267	100.0
256.23618	10.8
262.60599	0.6
491.32910	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	551.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.8
59.87835	0.4
69.45971	3.1
70.37263	0.4
71.01260	3.2
73.02814	0.8
78.68562	0.4
85.02832	0.9
87.00739	0.5
89.02308	2.1
95.01252	0.5
98.20542	0.8
101.02308	2.7
113.02315	0.8
119.03396	0.5
121.18707	0.4
121.64159	0.4
151.62302	0.4
161.04527	1.0
172.04367	0.4
235.08186	2.4
253.09258	13.0
255.23274	100.0
256.23615	9.3
292.54239	0.5
293.94269	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	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.2
64.74230	0.3
68.12901	0.3
70.56903	0.3
78.95776	7.7
129.84901	0.3
152.99515	1.5
168.04242	1.6
178.87679	0.3
186.83276	0.3
198.63869	0.3
202.28194	0.3
224.06903	0.8
227.80321	0.3
233.22823	0.4
236.33345	0.3
242.07967	3.2
259.20612	0.4
275.20026	0.5
277.21707	100.0
278.22052	9.6
420.70120	0.3
486.90173	0.3
502.29395	35.5
503.29724	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	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.7
59.23146	0.3
61.98711	0.5
64.80891	0.4
69.71397	0.3
71.01271	0.4
71.45446	0.6
71.89020	0.4
78.95773	32.1
96.96844	0.5
104.71132	0.3
122.98443	0.5
143.78912	0.4
152.99495	4.8
159.44266	0.4
168.04233	4.7
171.00648	0.3
179.92799	0.3
224.06863	10.4
225.07228	0.6
242.07904	3.0
253.21710	11.8
254.22095	1.0
259.20624	0.7
275.20187	0.4
277.21704	100.0
278.22058	9.7
478.29190	2.7
479.29550	0.6
502.29364	78.1
503.29694	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	552.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28396	0.6
59.00956	1.1
59.01246	18.0
61.98690	1.8
68.39240	0.6
71.51281	1.0
78.95770	8.5
96.71955	0.6
123.25434	0.5
152.99510	1.6
158.30124	0.6
168.04170	1.8
224.06877	2.1
242.07927	2.2
253.21706	100.0
254.22108	8.5
277.21716	13.5
278.22186	0.8
338.82639	0.6
450.87189	0.6
478.29364	28.1
479.29703	4.2
502.29419	10.4
503.29916	1.9
576.56354	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	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03320	2.2
58.00465	4.4
59.01251	100.0
60.01593	1.7
64.79768	0.6
70.63185	2.2
71.01252	65.6
71.61411	0.7
72.99178	6.2
73.02811	2.4
83.01265	2.6
85.02818	10.9
85.03296	0.9
87.00753	5.5
89.02316	84.4
90.02666	1.3
93.03319	1.1
95.01260	3.2
96.95849	0.8
97.02872	0.7
99.00761	1.0
101.02320	39.7
102.02690	0.8
109.02829	1.0
113.01533	1.4
113.02325	25.6
116.88385	0.6
119.03390	36.4
120.03741	1.1
121.02853	1.6
123.00774	0.7
123.04416	2.9
125.02347	0.9
130.08621	1.4
131.03415	2.9
133.02847	9.4
134.03670	0.7
135.04411	4.2
137.02353	2.1
138.03030	1.1
143.03383	5.8
149.04483	2.7
150.03168	0.6
158.03667	1.1
159.04433	2.1
160.01656	1.1
161.02353	32.8
161.04359	5.1
162.02795	2.0
163.03899	0.8
172.84778	0.7
173.05975	3.2
174.03120	1.2
175.03909	5.4
175.70038	0.7
177.05569	1.4
179.03432	1.5
179.03749	1.1
179.05528	13.8
179.07007	1.2
180.07787	0.8
187.03940	4.4
189.05522	2.1
190.06284	1.9
191.07025	1.5
193.05016	1.4
195.02815	0.7
202.06374	2.3
203.07124	1.2
204.04207	0.9
205.04993	5.7
205.08716	1.8
206.05508	0.8
217.08766	0.9
219.06601	2.4
220.07314	7.0
235.09740	4.7
280.07373	0.7
283.09879	2.3
296.06943	0.9
311.09256	7.3
312.09763	0.8
318.62863	0.9
326.11591	4.0
341.10336	0.7
341.14020	1.8
343.08368	1.0
356.12332	1.5
359.15259	1.8
371.14981	30.5
372.15204	4.2
389.18161	34.1
390.18622	3.4
551.21411	11.0
551.30066	1.1
552.21649	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	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53322	1.5
52.54670	1.4
55.01746	1.9
57.03307	1.7
58.86160	1.4
59.01251	100.0
60.70100	1.3
61.98711	7.1
69.14888	6.5
69.15314	9.0
71.01258	22.2
71.49050	1.5
73.02821	5.6
78.95778	9.8
80.36475	1.3
83.01249	1.3
85.02815	8.3
89.02312	3.7
95.01243	2.2
96.96825	1.3
98.19778	2.6
99.00744	3.0
101.02312	14.2
111.00744	1.9
113.02331	7.4
119.03351	1.7
122.98401	4.7
136.07501	1.9
152.99504	5.8
159.02873	3.5
161.02376	3.0
161.04477	14.7
293.21332	1.5
311.22342	1.4
325.23804	24.9
428.13110	1.3
471.33142	5.1
486.16840	1.6
489.34332	42.2
490.34662	6.9
549.23047	2.1
549.31531	3.1
550.31653	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	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
56.16792	0.1
57.03323	1.8
58.00468	0.4
59.01249	100.0
60.01587	1.3
61.98708	0.2
67.01759	0.1
68.99673	0.2
69.03333	0.7
70.52348	0.4
70.52700	0.1
71.01252	17.7
72.01617	0.3
72.99179	0.7
73.02812	4.7
74.02351	0.6
74.03144	0.2
75.00740	0.1
81.03346	0.2
83.01254	2.5
84.02013	0.2
85.02823	10.1
85.99969	0.4
86.03172	0.2
87.00764	0.8
87.75817	0.1
89.02316	3.1
89.02844	0.2
95.01255	2.1
95.01835	0.2
97.02812	0.8
99.00761	2.1
101.02319	9.2
111.00784	0.8
111.08047	0.2
112.01592	0.3
113.02329	10.5
114.02657	0.3
115.03888	0.3
116.03415	0.3
119.03394	0.6
124.01551	0.5
125.02331	1.2
127.11169	0.5
129.01796	0.3
137.09660	0.2
141.01801	0.2
143.03398	1.8
146.16049	0.1
155.10614	0.1
159.02882	0.9
161.04454	3.4
171.13800	0.8
179.05481	0.2
279.23337	0.3
297.24277	0.2
299.25867	2.2
300.26367	0.2
314.89496	0.1
327.28931	0.4
343.28571	0.3
345.30087	5.3
346.30292	0.5
387.31091	0.2
415.30743	0.3
441.32159	0.2
459.33389	0.4
489.34290	40.7
490.34659	6.8
490.41873	0.2
507.35342	20.7
508.35699	4.0
514.29944	0.2
549.36816	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	549.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
63.96046	0.2
71.01254	0.4
71.49434	0.3
75.00738	0.3
76.50571	0.2
78.95776	10.7
79.95608	2.2
81.76128	0.2
82.57569	0.2
83.02399	0.2
85.02812	0.2
89.02309	0.2
96.95892	100.0
96.96814	17.8
97.95823	0.4
98.02355	2.9
98.03362	0.2
99.86369	0.2
101.02332	0.3
135.04434	0.2
143.04521	0.3
160.59100	0.2
161.02338	0.2
306.07507	0.3
307.07999	0.3
333.22998	0.2
333.93011	0.2
345.15808	0.2
449.31516	0.2
450.22290	0.2
463.32782	0.2
490.34119	2.1
549.22076	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	549.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.5
61.98686	0.7
69.37681	4.7
71.01229	2.7
78.95772	6.0
85.02834	0.8
89.02317	1.8
96.96846	1.3
101.02313	3.2
105.32536	0.6
113.02322	0.9
121.02791	0.8
133.04955	0.7
143.03441	0.8
152.99489	11.5
161.04478	1.0
165.01740	0.6
235.08237	1.8
253.09274	13.0
253.21701	100.0
254.22021	8.3
285.42749	0.6
301.69199	0.7
319.82339	0.7
549.28491	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	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15640	0.1
54.35370	0.1
54.35633	0.1
55.01764	1.1
57.03323	1.9
58.00473	0.3
59.01248	100.0
60.01587	1.3
60.39845	0.1
61.01670	0.2
61.98693	0.7
63.52551	0.1
67.01779	0.2
68.27215	0.1
68.99665	0.2
69.03331	0.6
71.01250	15.8
71.04899	0.4
71.49756	0.3
72.01598	0.4
72.99181	0.6
73.02819	4.6
75.00778	0.2
78.95792	0.5
80.96391	0.3
81.03341	0.3
81.91396	0.2
83.01254	3.7
84.02050	0.2
85.02817	10.4
85.06474	0.3
85.99970	0.8
86.03145	0.2
87.00744	1.3
89.02317	1.3
95.01267	2.5
97.02821	1.3
97.06424	0.2
99.00755	2.5
101.02320	10.1
102.02657	0.4
110.81020	0.1
111.00759	1.3
112.01543	0.7
113.02324	8.8
113.09593	0.2
114.02705	0.3
115.03894	0.9
116.92770	0.2
119.03387	0.3
123.08069	0.1
124.01550	0.8
125.02351	1.6
129.01804	0.3
139.00279	0.2
141.01804	0.2
142.02628	0.3
143.03400	2.8
155.10568	0.2
159.02881	0.7
160.01567	0.5
161.04465	3.0
175.03940	0.6
185.15369	1.3
211.16992	0.2
211.98967	0.1
223.02248	0.2
279.23318	0.6
297.24432	0.2
299.25882	2.6
300.26315	0.3
301.03552	0.2
327.28970	0.5
343.28500	0.2
345.09647	0.2
345.30063	6.1
346.30411	0.7
387.31116	0.4
415.30746	0.3
441.32242	0.8
442.32422	0.2
453.32236	0.7
459.33389	1.1
489.34280	38.4
490.34695	6.5
507.35342	27.4
508.35678	4.0
549.21332	0.4
549.36963	1.4
550.36670	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	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
57.03320	2.4
58.00471	0.5
59.01248	100.0
60.01591	1.1
62.98793	0.2
68.99654	0.2
69.03315	0.6
69.82466	0.7
69.82871	0.4
71.01250	18.8
71.04906	0.4
72.99175	0.8
73.02811	4.8
73.03197	0.3
75.00745	0.4
81.03325	0.2
83.00805	0.4
83.01257	3.7
84.02004	0.2
85.02821	10.6
85.06461	0.2
85.99980	0.8
87.00749	1.3
87.04374	0.2
89.02316	3.3
95.01258	2.7
97.02814	1.4
99.00773	2.2
101.02319	11.2
102.02687	0.6
111.00757	1.4
112.01543	0.4
113.02325	9.9
114.02632	0.2
115.03915	0.8
119.03402	0.7
124.01563	0.7
125.02333	1.8
129.01820	0.4
141.12744	0.2
142.02606	0.3
143.03391	3.5
155.10686	0.2
157.12270	0.2
159.02905	0.7
161.04459	2.6
171.13834	1.3
209.19044	1.1
237.09062	0.2
244.74536	0.2
262.81995	0.2
279.23145	0.7
281.24634	0.4
293.24747	0.2
297.24426	0.3
299.25922	2.1
327.28979	0.7
343.28613	0.5
345.30078	9.5
346.30255	1.0
387.31003	0.6
415.30502	0.4
441.32159	1.0
442.32660	0.3
453.32089	0.7
459.33151	0.6
464.64124	0.2
489.34286	53.7
490.34631	8.9
490.42087	0.3
507.35333	35.6
508.35648	6.1
549.36554	1.8
550.36914	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	549.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77764	0.2
55.01756	1.4
57.03322	2.3
58.00460	0.3
59.01251	100.0
60.01589	1.5
61.98708	0.8
64.91150	0.2
68.99681	0.2
69.03326	0.7
69.24689	1.8
71.01254	16.2
71.04893	0.4
72.01608	0.4
72.99186	0.8
73.02205	0.2
73.02820	5.0
75.00771	0.3
80.96413	0.4
81.03336	0.4
83.01267	3.7
85.02821	10.0
85.06477	0.3
85.99984	0.9
86.03181	0.2
87.00744	1.3
89.02314	1.3
95.01258	2.7
96.95875	0.2
97.02811	1.1
99.00742	2.2
101.02325	9.9
110.89747	0.2
111.00774	1.5
112.01561	0.6
113.02330	7.7
114.02666	0.2
115.03902	0.8
116.92735	0.3
119.03408	0.3
124.01579	0.9
125.02354	1.7
129.01833	0.3
143.03404	2.9
152.99551	0.2
155.10709	0.3
155.14281	0.2
159.02893	0.9
160.01607	0.5
161.04465	3.1
175.03831	0.3
185.15390	1.4
205.03452	0.2
213.18536	0.3
244.22220	0.2
279.23434	0.7
281.24930	0.2
293.24850	0.3
297.24252	0.4
299.25876	2.9
300.26230	0.4
327.28989	0.5
343.28806	0.5
344.71719	0.2
344.94116	0.2
345.09921	0.2
345.30096	6.3
346.30460	1.1
387.31079	0.2
413.16370	0.2
415.30576	0.2
425.32843	0.2
441.32251	1.1
453.32123	0.6
459.33344	0.5
489.34311	36.5
490.34653	7.0
507.35358	27.3
508.35690	4.7
542.98944	0.2
549.22815	0.3
549.36755	1.1
550.36578	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	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10810	0.3
52.88960	0.4
58.00443	0.4
58.95435	0.3
59.01252	25.8
60.25885	0.3
64.40376	0.3
71.01246	4.9
71.26815	0.8
72.99193	0.4
83.01265	0.6
85.02829	1.4
89.02318	4.7
91.20511	0.4
95.01263	0.4
101.02323	3.5
107.01294	0.4
113.02313	1.8
119.03394	1.6
132.02069	0.9
133.02846	22.3
134.03522	0.6
135.04422	5.2
142.02290	0.3
151.00160	0.5
161.02347	60.4
162.02693	3.2
163.11180	1.9
179.03439	0.9
185.67097	0.4
207.10199	3.8
263.39026	0.4
301.03549	1.6
369.15225	0.3
372.04773	0.4
387.16589	100.0
388.16913	10.6
394.58719	0.4
399.82156	0.4
505.09818	2.2
549.19855	16.9
550.19946	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	549.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.03323	0.5
59.01254	35.0
61.98693	1.1
63.48210	0.5
71.01256	7.6
73.02812	0.9
85.02812	1.7
87.00761	0.8
89.02316	9.2
98.19823	1.0
101.02322	5.7
103.69272	0.5
113.02341	3.8
119.03393	3.0
132.02126	0.7
133.02850	26.4
135.04420	6.6
136.04747	0.8
160.01506	0.8
161.02350	72.8
162.02690	3.2
163.11230	2.5
175.03836	0.8
179.03423	2.6
207.10216	6.9
213.32751	0.5
218.77940	0.6
229.59648	0.6
243.70631	0.5
378.74890	0.5
387.16599	100.0
388.16916	8.9
445.24652	0.5
505.10516	0.6
549.19916	17.0
549.29102	2.3
550.20380	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	549.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06398	1.0
55.01759	1.3
57.03316	1.3
59.01252	100.0
60.01591	9.2
61.01685	6.1
61.98703	80.2
69.57304	7.6
71.00903	1.7
71.01259	18.1
72.01591	1.3
72.99194	1.4
73.02806	5.4
74.02338	5.7
81.34376	1.1
83.01251	2.7
84.52823	1.0
85.02822	10.9
87.05508	1.8
89.02296	3.6
96.57183	1.0
96.95892	3.9
98.92706	1.2
99.00698	1.2
101.02342	10.0
102.02642	1.2
103.33299	1.2
111.00735	1.3
113.02330	7.8
114.02673	1.7
116.03410	4.2
119.03382	1.3
128.03419	2.5
129.06581	2.4
130.08636	60.3
131.08963	1.8
133.02916	1.5
147.71362	1.1
161.02335	2.0
161.04462	3.5
162.04712	1.8
163.04991	1.2
183.13286	1.1
231.44664	1.1
389.85291	1.1
470.31787	2.2
471.32437	1.9
486.27106	55.5
487.27240	6.6
487.33484	2.4
488.33109	11.2
489.33496	19.9
506.34399	2.2
507.34671	8.0
526.77020	3.8
549.31482	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	549.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18080	0.2
65.20659	0.2
70.57069	0.2
71.29846	0.4
77.03823	1.7
79.17616	0.2
93.03333	0.4
96.68201	0.2
116.87781	0.2
119.91362	0.2
121.02840	100.0
122.03175	3.7
131.81328	0.2
137.02313	0.3
147.04407	0.4
165.01836	52.7
166.02151	2.1
180.05722	0.6
181.06523	3.0
197.05988	2.3
207.04398	1.0
207.07999	0.3
223.03981	0.4
225.05504	1.2
226.06108	0.2
231.00258	0.2
257.09628	0.6
285.09070	0.2
313.07199	1.4
335.36835	0.2
357.06277	1.0
383.07547	0.4
384.08316	0.2
417.09726	1.9
418.09818	0.3
505.11316	1.8
506.12039	0.5
549.10370	24.0
550.10620	4.2
550.18445	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	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
57.03321	0.5
58.00452	0.6
59.01250	37.3
60.01602	0.3
61.22132	0.3
61.98710	1.6
68.64639	0.3
69.03329	0.6
71.01254	9.6
71.45443	0.4
72.99178	1.3
73.02824	1.2
83.01239	1.1
84.72674	0.3
85.02811	2.3
87.00739	0.5
89.02316	9.5
89.03843	0.3
95.01233	0.4
95.04911	0.4
96.95900	0.5
99.00756	0.5
101.02314	6.9
105.03357	0.4
109.06447	0.4
113.02326	3.5
117.03333	0.4
119.03393	3.3
121.02855	0.6
123.04402	0.3
131.03386	0.5
132.02078	1.9
133.02847	28.3
134.03273	0.9
134.03647	0.8
135.04416	6.8
136.04747	0.6
137.02367	0.4
145.02844	0.5
147.08051	0.4
149.02307	0.4
151.00255	0.7
157.54671	0.3
160.01514	0.5
161.02345	88.0
162.02682	4.7
163.11182	5.5
175.03908	0.5
177.01779	0.3
179.03435	2.4
179.04861	0.3
179.05371	0.2
180.03857	0.4
181.05042	0.3
185.00687	0.3
192.92316	0.3
203.03525	0.3
207.10191	7.8
208.10602	0.5
225.11249	0.4
238.52197	0.3
300.02502	0.4
301.03537	1.3
387.16577	100.0
388.16891	10.3
489.26535	0.4
505.09802	0.9
507.28027	0.5
513.26196	0.3
549.19769	17.2
549.29047	4.2
550.20129	2.9
550.28876	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	549.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65215	0.9
50.99952	1.0
52.47970	1.0
59.01247	2.3
59.92229	0.8
63.02250	1.4
69.49664	6.8
71.01260	1.5
83.01264	1.1
98.20509	1.8
101.02312	1.1
107.01276	3.3
108.02061	1.9
109.02860	1.3
121.02858	2.3
135.00826	1.3
148.01588	1.2
149.87161	1.0
151.00272	14.2
152.00652	1.1
153.01878	0.8
161.02202	1.1
163.00261	3.3
178.99783	5.2
201.48511	0.9
211.03931	1.8
213.04956	0.9
219.04980	0.9
226.02634	2.3
227.03421	3.6
243.02997	10.2
245.04390	1.6
254.02199	2.2
255.02991	27.7
255.07370	1.0
256.03299	2.7
269.09668	1.1
271.02475	65.8
272.02777	6.0
281.05338	0.9
294.14938	1.0
300.02747	100.0
301.03452	43.7
302.03839	3.4
309.08713	1.8
311.10394	6.4
313.21082	1.0
337.08282	2.7
355.09259	1.1
369.10883	8.3
387.11734	3.0
388.14145	1.0
403.53073	0.9
463.08652	3.7
505.09897	62.0
506.10208	6.1
549.16345	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	549.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.2
61.98718	0.4
63.02262	2.5
65.00192	6.7
65.91290	0.4
69.31113	1.0
69.31526	2.9
71.01251	1.9
73.02797	0.5
79.01793	0.5
79.95605	0.4
83.01266	4.2
85.02819	0.8
86.65630	0.4
89.02323	1.3
91.16425	0.4
91.23857	0.4
93.03332	3.2
95.01300	0.5
96.95891	1.2
97.02786	0.4
101.02323	1.9
103.01741	0.7
107.01270	12.2
108.02111	0.6
109.02852	1.6
111.00790	0.4
113.02317	0.9
121.02839	10.9
123.00767	0.5
124.01580	1.2
125.02344	1.6
131.01268	1.1
133.02838	1.3
135.00786	0.8
135.04391	0.9
136.01570	4.2
137.02338	1.5
138.32675	0.5
139.03928	0.8
145.02824	0.4
148.01532	1.1
149.02335	1.8
151.00273	45.5
151.03906	6.8
152.00662	1.5
159.04405	0.7
161.02332	4.4
161.04457	0.9
163.00267	1.4
164.01042	1.8
165.01866	0.9
166.02631	5.0
169.01323	1.4
173.02289	0.6
175.00302	5.3
175.03827	0.7
176.00871	0.4
177.01849	0.6
178.99803	3.2
179.03493	0.6
179.05223	0.4
181.04994	7.1
187.03886	0.7
192.00546	0.8
193.01382	1.8
199.03914	0.5
205.01373	0.9
205.05057	0.5
211.03912	0.7
216.04147	0.7
227.03502	1.3
229.04814	0.9
239.03593	0.5
243.02972	1.1
244.03534	0.6
245.04568	0.5
255.02974	1.8
256.03738	0.5
257.04666	0.5
271.02475	1.6
272.03098	0.7
273.04028	1.3
283.02625	0.6
285.04044	0.8
299.02109	0.6
300.02747	26.3
301.03513	100.0
302.03848	7.4
312.99622	0.4
313.03601	1.5
315.05170	0.6
343.04529	2.5
343.13950	0.6
357.09821	1.3
369.62997	0.4
372.12311	0.7
387.14319	13.3
388.14777	1.0
405.85046	0.5
505.09869	66.3
506.10245	8.0
549.21906	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	547.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
55.04070	0.3
57.03321	1.8
59.01249	100.0
60.01588	0.8
61.98701	9.1
69.03320	0.3
70.84595	0.5
70.84962	0.6
71.01253	17.5
72.99181	1.0
73.02816	4.6
75.00783	0.5
78.13647	0.3
83.01261	2.6
84.82596	0.3
85.02820	8.7
85.99976	0.4
87.00768	1.1
89.02320	4.2
95.01265	1.6
97.02855	0.6
99.00752	2.5
99.85073	0.3
101.02322	10.1
103.64356	0.3
110.00008	1.0
111.00801	1.1
113.02328	10.5
119.03375	1.5
121.10129	1.9
124.01564	0.3
125.02322	2.2
129.01846	0.6
133.06476	3.4
137.99496	1.7
143.03362	1.7
145.97523	0.4
152.01181	0.3
153.01836	17.5
154.02257	0.4
159.02922	1.4
161.04457	7.4
162.02245	0.5
162.04834	0.3
168.04196	13.9
169.04498	0.3
179.03435	0.7
179.05623	0.6
183.06552	8.4
183.08075	0.6
183.39667	0.3
183.55940	0.3
184.06906	0.6
185.15486	1.1
192.00418	0.4
207.02957	0.8
220.07568	0.3
222.05295	0.8
226.89928	0.3
237.07590	2.2
254.04451	1.4
281.05099	0.4
313.07214	3.6
325.27686	0.3
328.09671	1.9
329.19754	1.4
343.11847	13.7
343.28577	1.3
344.12186	1.6
344.28970	0.4
347.20804	3.0
413.29581	0.4
469.31967	0.9
487.32755	35.1
488.33188	4.7
496.98007	0.4
505.33792	17.3
506.34317	2.2
547.34839	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	547.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81735	0.3
55.01756	1.2
57.03326	1.2
58.00482	0.3
59.01251	100.0
60.01589	1.2
61.98702	0.9
62.51390	0.2
69.03347	0.3
69.20036	0.4
69.20437	2.0
70.05177	0.2
71.01256	16.2
72.01584	0.2
72.99177	0.6
73.02819	4.4
73.03204	0.4
74.02370	0.4
78.06961	0.2
83.01253	2.5
85.02824	8.6
86.03188	0.3
87.00768	0.8
87.05536	0.3
89.02328	2.9
95.01272	1.7
96.95888	0.3
97.02853	0.8
99.00761	2.2
101.02323	9.6
102.05492	0.6
111.00751	0.7
112.01556	0.2
113.01538	0.4
113.02331	9.0
113.07092	0.2
117.72385	0.2
119.03404	1.1
125.02354	0.7
128.03421	1.1
129.01807	0.3
129.06602	0.8
134.59348	0.2
135.04330	0.2
143.03450	1.4
146.04517	0.4
159.02904	0.9
161.02371	0.6
161.04469	4.8
191.41502	0.2
192.55566	0.2
197.15326	0.4
203.08173	0.3
213.18570	1.7
251.20175	0.3
271.22546	0.3
272.43262	0.2
315.63055	0.3
325.27478	1.0
343.28448	1.3
347.20465	0.3
391.19742	0.7
457.31900	0.6
469.31711	4.9
470.32059	0.7
487.32767	33.2
488.33090	5.4
505.33817	14.2
506.34064	2.0
525.76697	2.6
526.26721	0.8
544.01489	0.3
547.21509	0.3
547.34705	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	547.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	21.7
61.98681	1.7
62.01666	0.9
69.88468	3.4
69.88870	2.1
71.01243	3.1
78.95753	1.2
89.02310	2.3
100.84113	1.0
101.02285	2.2
113.02337	1.0
161.04424	1.9
168.73097	0.9
214.24133	1.0
214.26411	1.0
251.20120	100.0
252.20493	9.7
253.09265	14.2
355.45490	1.1
528.76855	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	547.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97441	0.5
57.03312	0.9
58.00464	0.7
59.00958	1.0
59.01250	18.7
61.98692	3.8
71.01253	7.6
71.04890	0.8
71.49571	0.8
72.99207	0.6
73.02805	1.2
78.95771	5.4
82.31673	0.5
85.02824	2.6
87.00748	1.2
89.02316	6.4
96.96830	1.5
101.02327	6.6
113.02345	3.6
119.03381	2.2
125.09634	1.0
129.09120	1.4
131.03410	0.5
141.09157	0.6
152.99503	2.8
161.04460	3.5
163.11185	2.0
167.10693	0.7
167.14484	0.7
169.12180	0.6
176.73952	0.6
179.05528	1.1
181.12177	1.3
182.12936	0.6
197.11771	2.2
199.13373	1.3
211.13333	4.8
215.86830	0.5
249.22162	2.5
253.09273	23.1
254.09552	0.9
265.21686	0.6
267.23270	0.6
293.21234	60.8
294.21552	6.1
310.21048	0.9
311.22275	100.0
312.22604	10.4
465.22305	1.0
487.32953	1.9
505.33484	1.3
547.26752	1.1
547.35480	2.9
548.34637	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	547.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.5
59.01252	4.2
61.98701	1.6
69.33080	3.5
71.01251	1.8
73.02854	0.7
77.03856	0.4
83.01245	0.7
85.02816	0.6
88.98677	0.8
89.02314	1.0
89.03830	0.5
93.03363	0.5
95.01240	0.4
96.95882	1.6
101.02316	1.5
105.03346	1.1
107.04919	1.0
107.82843	0.4
109.03970	0.4
113.02335	1.4
116.79114	0.5
117.03362	0.7
119.03394	0.5
119.04886	0.5
119.25299	0.4
121.02843	1.7
123.04401	0.7
128.03419	0.5
132.02066	2.7
133.01361	0.6
133.02853	31.6
134.03690	5.1
135.04413	62.9
136.04771	2.5
137.02341	0.5
145.02785	0.6
145.06113	0.4
147.04411	0.6
148.05223	0.6
149.01201	0.3
149.02328	8.6
149.05969	0.9
152.01044	0.8
160.01564	0.7
161.02348	100.0
162.02696	5.6
163.03879	1.0
164.04695	7.1
165.05411	1.0
166.91118	0.4
175.00333	1.4
175.03897	2.1
176.01093	0.8
177.01784	1.0
177.05493	1.8
178.02611	1.0
179.03416	79.3
180.03761	4.5
190.02632	4.8
191.03403	2.7
193.04997	3.9
203.03511	1.0
205.04999	4.7
206.05746	1.3
208.03745	1.0
209.04462	0.5
217.01437	0.9
221.04425	1.3
221.08170	0.8
223.06052	10.1
223.08125	0.7
224.06459	0.5
232.03740	1.5
233.04518	0.6
241.00224	0.9
247.06126	4.4
251.05592	0.8
265.07251	1.1
268.91907	0.5
281.06726	2.2
307.11987	1.1
323.07718	4.1
324.08160	0.6
337.12881	0.9
341.08704	2.7
353.08734	4.0
367.10123	0.8
385.11417	1.0
547.14417	7.3
547.20837	0.5
547.27905	1.9
548.14618	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	547.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
59.01250	49.6
61.98706	0.5
65.00196	0.6
65.60840	0.3
69.03267	0.4
69.48141	1.5
69.48569	1.6
71.01255	8.2
72.99181	0.7
73.02818	1.9
79.18903	0.3
82.00493	0.5
83.01263	1.5
85.02827	4.8
85.50631	0.4
89.02327	1.8
89.20467	0.4
93.03327	0.5
95.01270	1.3
97.02821	0.5
99.00757	0.8
101.02326	4.6
109.99960	7.3
111.00768	0.5
113.02335	4.8
119.03403	0.6
121.10126	0.6
124.01563	0.5
125.02338	6.2
133.06479	18.3
133.68987	0.3
134.06813	1.5
137.02364	0.8
137.99489	7.9
143.03351	0.9
153.01833	100.0
154.02179	4.2
159.02876	0.7
159.04274	0.5
161.04454	3.8
164.98170	0.7
165.01813	1.7
165.98973	0.5
168.04185	76.3
169.04543	3.5
173.98276	0.4
179.03394	3.0
183.06548	46.0
184.06898	2.5
192.00533	2.1
203.69180	0.4
207.02901	8.2
208.03285	0.7
221.04469	0.9
222.05252	5.6
223.05565	0.4
223.99553	0.6
237.05290	1.0
237.07632	11.6
237.09990	0.8
238.07939	1.2
254.04245	7.6
280.03818	0.6
281.04532	0.7
282.05252	0.4
297.07779	0.7
298.04718	3.2
299.05093	0.5
313.07153	16.4
314.07541	1.8
328.09494	9.6
329.09952	1.0
329.19574	0.8
343.11826	75.0
343.28482	1.0
344.12198	9.4
347.20593	0.7
469.31604	0.6
487.16394	0.5
487.32748	15.9
488.33112	1.6
505.33798	9.2
506.34079	1.1
517.13403	1.1
532.15625	1.0
547.18201	1.6
547.34332	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	546.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15091	0.5
55.48436	0.5
59.01249	0.9
69.31708	4.3
72.28487	0.5
75.30830	0.5
78.95773	11.5
83.24297	0.5
98.20689	0.5
140.01091	1.5
152.99533	3.8
169.60287	0.5
177.13573	0.6
192.98807	0.8
196.03726	1.2
196.89481	0.6
214.04794	2.6
224.99950	0.5
242.83525	0.5
273.43164	0.7
309.66846	0.5
349.27454	100.0
350.27780	14.1
403.86377	0.6
524.34613	0.6
546.32007	9.2
547.32489	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	547.1095
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01252	100.0
60.01589	4.8
61.98689	1.4
69.31230	12.8
71.01260	16.4
72.01590	2.2
73.02809	5.6
75.00706	1.4
83.01260	3.4
84.23488	1.2
85.02819	6.1
87.00745	3.8
89.02338	6.3
90.02641	1.6
95.07223	1.5
96.95922	1.4
97.91680	1.2
98.19905	2.3
99.00758	2.5
101.02329	9.2
113.02326	12.5
114.02679	1.3
119.03390	3.0
121.61143	1.5
161.04465	5.9
162.04924	1.6
211.04085	1.8
227.03462	10.4
243.06773	1.7
255.02965	35.6
256.03491	4.9
283.02481	54.8
283.05646	2.8
284.03192	18.3
285.03564	1.6
298.04834	31.4
299.05594	67.1
300.05887	5.3
343.28235	1.5
358.41449	1.7
486.31653	8.1
487.32361	8.6
503.11978	33.9
504.12244	6.0
504.32483	5.5
505.33334	5.0
547.31940	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	547.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24958	0.2
59.01249	2.2
61.98701	0.5
69.03368	0.2
69.37885	1.7
70.18024	0.2
71.01247	0.9
73.02827	0.2
85.02832	0.4
86.53148	0.2
89.02316	0.5
89.03846	0.5
91.05379	0.4
93.03355	0.5
95.01297	0.3
96.95918	0.3
101.02338	0.7
105.03371	0.4
107.04897	1.3
108.02044	0.3
109.02865	0.2
113.02361	0.8
115.01781	0.2
117.03330	1.0
119.04897	0.2
120.48850	0.2
121.02840	1.5
121.17252	0.2
123.04399	0.4
132.02058	2.1
133.02850	35.2
134.03702	4.9
135.04413	74.1
136.04745	3.5
137.02345	0.6
139.03951	0.3
145.02771	0.2
147.04413	0.8
148.05173	0.4
149.02344	8.8
149.05975	1.0
150.02855	0.5
151.03841	0.3
157.53751	0.2
159.08682	0.2
160.01530	0.2
161.02348	100.0
162.02705	4.8
163.03899	0.9
164.04692	6.7
165.05293	0.4
173.02373	0.2
175.00278	2.1
175.03918	0.3
176.01019	0.8
177.01765	0.3
177.05457	1.3
178.02664	0.6
179.03416	80.6
180.03770	3.9
189.01897	0.4
190.02628	4.4
191.03423	2.9
193.01308	0.6
193.05000	3.8
203.03481	0.8
204.04076	0.2
205.05006	4.4
206.05508	1.1
207.02968	0.5
208.03706	1.1
209.04367	0.3
217.01414	0.6
221.04501	1.3
221.08127	0.8
223.06071	10.1
224.06375	0.6
232.03723	1.1
233.04507	0.5
237.07681	0.4
247.06100	3.7
248.06387	0.3
250.04808	0.3
251.05592	0.7
264.83902	0.2
265.07266	1.0
281.06607	2.2
289.07211	0.2
305.07001	0.2
308.07056	0.2
323.07666	5.7
324.08008	0.6
341.08701	2.3
343.13895	0.4
352.08203	0.4
353.08771	3.8
354.09149	0.3
367.10263	1.5
374.10757	0.4
385.11374	0.7
395.68179	0.2
464.97076	0.2
547.14453	8.7
547.26843	0.9
548.15112	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	545.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03325	1.5
58.00475	0.3
59.01251	100.0
60.01587	1.0
61.98705	0.9
69.03344	0.3
70.63523	0.2
70.63837	0.4
71.01255	17.2
72.01596	0.3
72.99193	0.7
73.02822	4.3
73.03206	0.4
75.00756	0.3
82.32958	0.2
83.01260	2.7
85.02821	8.4
85.06464	0.4
85.99976	0.3
86.03171	0.2
87.00761	0.9
89.02313	3.7
94.75056	0.2
95.01270	1.8
97.02859	0.6
97.06508	0.6
99.00763	2.4
101.02325	10.0
111.00735	1.0
113.02333	9.1
119.03387	1.5
125.02364	0.6
129.01843	0.6
135.08107	0.2
137.09624	4.2
141.01808	0.3
143.03392	1.5
156.67845	0.2
159.02901	1.2
161.04466	5.6
162.04817	0.2
179.05574	0.4
192.98558	0.2
197.15486	0.3
213.18568	1.3
263.68188	0.2
323.26059	0.5
325.27588	0.2
341.27014	0.6
347.20892	0.4
357.22763	2.5
369.22992	0.9
375.23721	1.3
387.24036	0.4
449.28958	0.5
455.29904	0.3
467.30048	2.8
468.30594	0.4
485.31183	17.5
486.31491	2.8
503.32288	8.7
504.32507	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	545.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03317	1.4
58.00478	0.4
59.01249	100.0
60.01587	1.1
61.98730	0.5
69.03327	0.5
69.60646	1.3
71.01252	15.8
71.99931	0.2
72.01628	0.2
72.99175	0.7
73.02817	3.6
75.00755	0.3
83.01258	2.2
85.02821	7.7
85.99971	0.5
87.00764	0.8
89.02318	4.4
95.01268	1.7
97.02832	0.7
99.00765	1.7
101.02322	7.4
108.48367	0.2
111.00749	0.8
111.08021	0.2
113.02329	8.1
114.33963	0.2
115.03860	0.4
119.03381	1.2
124.01579	0.4
125.02331	0.7
127.11168	0.4
129.01840	0.3
131.03358	0.2
137.09581	0.7
143.03419	1.6
159.02895	1.1
161.04472	3.3
169.12216	0.4
171.13794	0.9
174.72870	0.2
179.05516	0.4
185.11803	0.7
191.05333	0.2
229.18079	0.9
241.91544	0.2
291.19678	0.3
305.24820	0.4
315.18018	0.5
323.25882	1.4
341.26941	2.3
342.26974	0.2
344.18365	0.8
362.19391	1.7
371.20795	0.4
372.21112	0.3
375.24051	0.3
389.21832	0.9
390.22455	0.5
391.23773	0.4
394.18466	0.7
422.21521	0.3
437.28665	0.4
455.29950	0.5
467.30072	3.8
468.30359	0.3
485.31180	31.2
486.31570	5.9
503.32285	10.9
504.32489	1.9
527.32031	0.7
545.33228	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	546.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.4
59.01248	12.5
61.98469	0.3
61.98707	3.0
69.28636	1.2
69.29064	2.1
71.01247	3.7
72.04412	3.1
72.99163	0.6
73.02808	0.9
79.95611	5.3
80.96390	1.9
83.01239	0.5
85.02816	1.8
87.00741	0.7
89.02323	2.0
89.02781	0.3
94.97957	0.5
95.95111	1.1
96.95887	100.0
97.95786	0.4
98.02322	0.4
99.00765	0.6
101.02329	3.1
103.00217	0.3
110.97441	1.2
113.02356	1.8
114.05521	0.4
115.07534	0.5
116.03451	0.4
119.03369	1.0
122.97461	0.7
123.70067	0.4
127.07523	0.4
133.02879	0.4
138.96970	1.2
143.03447	0.4
147.21173	0.4
148.05191	2.7
150.96973	0.5
152.98552	5.2
158.11757	0.5
161.02342	0.5
161.04396	0.7
163.07596	2.0
164.98549	1.9
176.03947	0.3
180.98044	1.5
222.99109	1.4
241.00200	29.8
242.00520	1.3
283.01459	0.5
308.99115	0.4
320.17172	0.5
322.02359	1.0
387.07541	1.3
405.08575	39.8
406.08908	4.0
430.20456	0.4
447.09573	1.6
451.27673	0.4
473.07568	21.4
474.07947	2.3
485.32312	0.4
486.10916	3.4
487.11435	0.4
491.08542	2.4
492.87473	0.4
504.11908	1.0
546.12854	16.1
546.29199	8.4
547.13263	2.7
547.29565	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	546.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00328	0.6
59.01254	4.4
61.98706	5.2
69.03341	0.7
71.01247	2.0
73.02804	0.7
85.02766	1.0
89.02324	0.7
96.95874	2.3
101.02313	1.1
101.71931	0.8
122.03619	0.9
123.04389	0.8
128.03427	0.8
130.08684	0.8
132.02052	0.7
133.02834	1.8
133.27728	0.7
133.96170	0.7
134.03610	6.2
135.03445	0.9
135.04416	16.2
137.02364	1.5
147.04419	5.6
148.04077	1.7
148.05194	40.8
149.04634	0.8
149.05850	2.9
153.44714	0.6
157.38646	0.7
160.03935	0.8
161.02412	3.6
162.06769	2.4
163.03923	0.7
163.06242	0.9
164.07054	0.7
175.02435	0.8
175.03879	2.0
176.03407	4.2
177.04250	3.8
178.05013	32.2
179.05334	2.3
185.00871	1.3
190.05031	10.2
191.05518	1.4
192.06566	2.2
253.80016	0.8
283.09680	1.1
327.11075	14.0
328.11359	2.1
342.13434	100.0
343.13766	11.9
345.15347	0.6
406.50641	0.6
419.97098	0.8
430.60275	0.7
546.12030	0.8
546.28021	1.4
547.28168	1.2
567.57275	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	546.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.1
61.98696	0.8
69.03349	0.4
69.19266	1.5
69.19689	1.1
71.01223	0.4
74.03299	0.2
81.00795	0.2
82.59174	0.2
89.02307	0.3
89.74261	0.2
96.95884	0.8
98.95451	0.3
98.97825	0.2
99.08360	0.2
106.46018	0.3
109.02827	0.8
119.04927	0.8
121.02870	0.3
122.03592	0.5
123.04404	0.6
124.01575	0.6
133.02881	0.8
134.03619	4.8
135.04413	13.3
136.03883	0.5
136.04805	0.5
137.02301	0.4
145.02846	0.7
147.04411	4.5
147.05569	0.3
148.05194	35.5
149.02444	0.2
149.04796	0.3
149.05978	3.6
150.03142	0.7
150.05478	0.5
151.06297	0.3
152.07077	0.3
160.01582	0.5
160.03851	0.4
161.02357	1.7
162.05551	0.5
162.06729	2.1
163.03877	0.2
163.06215	0.7
175.03922	0.7
176.03448	4.5
177.04221	3.0
178.05009	31.1
179.03546	0.3
179.05339	1.8
185.00999	0.3
189.04230	0.7
190.05008	9.7
191.05460	1.3
192.06593	2.3
197.09599	0.3
202.05075	0.6
204.06558	1.0
220.10861	0.5
227.14021	0.4
269.08127	0.4
283.09711	1.6
298.10715	1.3
318.10797	0.3
324.12744	0.4
326.10226	0.9
327.11111	13.6
328.11472	1.2
342.13437	100.0
343.13776	10.4
494.03766	0.3
546.19604	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	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52017	0.4
55.01777	0.6
57.03326	1.0
59.01251	26.5
61.98701	5.6
69.03357	0.7
70.64986	1.2
71.01252	8.9
71.01613	0.7
71.04922	0.8
72.99201	0.4
73.02821	2.0
74.85404	0.3
75.20666	0.3
76.15276	0.4
78.95787	0.6
80.02554	0.5
81.03349	0.7
83.01294	1.6
84.02052	0.4
85.02811	3.7
87.00780	1.7
89.02318	8.1
89.02838	0.5
95.01296	1.1
95.04935	0.4
96.95913	0.4
97.02862	1.0
101.02326	9.7
111.08081	0.9
113.02337	5.4
113.06042	0.4
119.02689	0.4
119.03363	2.0
123.08045	0.7
124.81028	0.4
125.06061	0.6
125.09661	1.2
137.09648	0.9
141.12749	0.6
143.03442	0.4
151.11252	0.4
152.99516	0.5
153.12767	0.6
161.04449	3.8
163.11223	3.1
164.11743	0.4
165.09203	0.4
165.12747	6.7
171.10164	2.3
177.12762	0.8
178.54048	0.4
179.05582	1.4
179.10730	0.4
179.14301	2.0
181.12338	1.8
185.11777	0.9
193.15976	1.5
195.13869	0.4
195.57204	0.4
197.11710	3.1
201.11354	0.5
207.10225	0.4
209.11794	1.4
211.13435	0.5
219.17535	0.5
221.11827	0.4
223.13318	2.6
235.08281	0.5
239.43140	0.4
247.20686	6.7
248.20924	0.5
253.09270	28.3
254.09586	1.6
263.20187	0.6
273.18533	2.3
291.19662	79.7
292.19980	8.6
309.20703	100.0
310.17551	0.7
310.21039	11.4
310.24606	0.6
311.22003	0.4
485.31339	2.9
503.32095	2.6
545.32233	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	545.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09807	0.1
55.01754	0.7
55.21854	0.2
55.81548	0.2
57.03313	0.7
58.00456	0.5
58.64479	0.2
59.01249	100.0
60.01579	1.1
61.98705	0.5
69.03326	0.3
71.01249	16.0
71.20609	0.2
71.20927	0.2
72.01598	0.3
72.99186	0.6
73.02817	5.0
78.00502	0.2
80.98714	0.2
83.01260	1.8
85.02818	6.0
85.06451	0.3
85.99971	0.2
87.00752	0.6
89.02313	7.7
95.01253	1.9
97.02847	0.4
99.00755	1.2
101.02319	8.6
102.02654	0.2
105.84765	0.2
111.00778	0.2
113.02328	13.6
114.02690	0.3
119.03398	2.4
125.02385	0.3
125.16453	0.2
131.03410	0.7
143.03406	1.0
143.10701	0.4
149.04427	0.3
159.02914	0.5
161.04474	4.0
162.04857	0.3
166.74292	0.2
179.05528	1.0
229.18069	0.4
250.82095	0.2
309.20932	0.3
311.97354	0.2
323.25873	0.8
341.26855	0.9
343.17639	0.3
347.17218	0.5
355.15036	0.2
361.18735	0.4
373.22586	0.2
467.30096	1.3
485.31155	13.2
486.31531	2.0
503.24927	0.4
503.32257	5.7
504.32663	1.1
545.26794	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	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.1
57.03326	2.3
59.01251	42.9
61.98687	1.9
66.01314	0.8
67.11427	0.8
69.03342	1.9
69.34618	7.6
69.38518	0.8
71.01250	14.3
72.99184	1.2
73.02827	2.7
75.00716	0.9
81.03330	2.2
83.01261	3.2
83.04909	1.6
85.02818	4.2
87.00766	2.7
87.25842	0.8
89.02315	10.8
95.01260	1.2
95.04916	1.3
97.02817	3.0
97.06463	6.8
101.02319	14.4
109.06480	1.3
113.02335	8.1
119.03394	3.5
119.08540	1.4
121.06497	1.9
123.04411	3.3
123.08063	2.3
125.02345	0.9
125.06002	1.2
125.09626	4.1
135.08067	1.7
137.09631	3.3
141.12807	1.3
143.03526	1.0
161.04463	5.1
161.09584	0.9
163.07591	1.5
163.11200	8.4
165.12762	1.9
177.12666	1.0
179.05569	1.7
179.10690	1.1
181.12282	1.7
185.11765	6.5
191.14388	10.1
207.10153	4.1
209.11778	21.1
211.13347	2.4
217.15999	1.7
225.11253	3.8
237.11288	12.4
238.11926	1.3
245.19075	17.4
246.19582	1.8
253.09247	38.8
254.09641	2.5
263.20178	7.0
271.17096	3.2
281.21295	1.1
289.18091	97.1
290.18384	11.0
293.21033	1.1
307.19116	100.0
308.19516	11.1
325.20181	1.3
357.23920	0.7
393.92661	0.8
501.30661	2.5
525.27130	1.5
543.29016	6.5
544.29150	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	543.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69364	0.3
57.03321	0.6
58.00465	0.8
58.09779	0.3
59.01249	100.0
60.01596	0.9
61.98708	1.1
69.03318	0.3
69.45329	0.3
71.01254	12.9
72.01604	0.4
72.99178	1.0
73.02816	3.0
83.01266	1.5
85.02823	4.9
87.00776	0.7
89.02317	8.4
95.01287	1.0
96.95885	0.6
96.96829	0.3
97.02840	0.4
99.00778	0.9
101.02321	7.8
111.00803	0.4
113.01534	0.5
113.02331	9.0
119.03391	4.0
125.02364	0.8
131.03389	0.5
143.03404	1.4
149.04509	0.5
159.02808	0.4
161.04451	2.7
171.07751	0.3
171.10060	0.3
179.05569	1.3
197.11833	0.4
209.11688	0.3
233.02925	0.3
233.94446	0.3
253.09236	0.4
289.18109	0.9
307.19080	0.4
309.20898	0.3
326.01788	0.3
339.25275	0.6
408.96008	0.3
457.07837	0.4
465.28137	0.3
468.37219	0.3
483.29535	5.9
483.36078	0.4
484.30200	0.7
501.30627	2.5
543.32349	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	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03316	0.9
58.00465	0.8
59.01250	100.0
60.01587	1.1
61.98702	1.0
64.10394	0.2
69.03333	0.4
71.01254	23.5
72.01603	0.4
72.99184	1.0
73.02818	8.6
74.02325	0.3
75.00734	0.3
78.95805	0.2
81.03326	0.2
83.01252	3.0
83.04881	0.2
84.02052	0.4
85.02824	8.2
87.00745	1.5
87.04401	1.0
87.96432	0.2
89.02318	14.9
90.02660	0.3
95.01258	2.3
96.95914	0.4
97.02818	0.3
98.19854	0.5
99.00754	1.0
101.02324	13.0
102.02663	0.2
102.53194	0.2
111.44799	0.2
113.02332	19.1
114.02672	0.4
115.07635	0.2
119.03394	6.7
124.01588	0.2
125.02350	0.6
128.03448	0.9
130.08669	0.2
131.03377	1.3
139.74547	0.2
143.03438	2.4
143.04535	0.5
149.04443	1.2
149.09659	0.2
153.12866	0.2
159.02994	0.3
161.04459	6.0
179.05537	4.2
179.06979	0.3
180.05876	0.2
192.89191	0.2
209.11887	0.4
225.04219	0.3
229.57173	0.2
245.19241	0.2
253.09401	0.2
254.08240	0.2
272.08740	0.5
289.18298	0.4
306.07681	1.2
307.19138	1.7
315.18213	0.2
339.25406	0.4
391.06021	0.2
394.92200	0.2
465.28754	0.3
483.29651	10.5
484.29987	1.8
501.30685	6.3
502.31390	0.7
504.25253	0.2
543.32574	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	545.1451
Annotation	Xanthoaphin
Peak:m/z	Relative Intensity
58.50638	0.5
59.01257	1.0
61.98701	0.8
62.04067	0.4
65.98055	0.5
69.56100	2.2
69.56509	1.2
95.04763	0.5
96.95892	1.6
98.20621	0.9
312.20035	0.5
367.09509	0.6
370.08813	0.6
381.07520	1.2
383.09180	1.0
395.09314	1.7
397.07159	1.3
398.07556	1.0
399.08408	0.7
401.10178	0.7
407.05127	0.6
409.06958	1.1
410.07971	1.4
411.08508	5.0
412.09674	1.2
421.07178	1.7
422.07941	1.6
429.13794	0.6
436.05423	0.8
439.07260	0.7
439.12344	1.1
441.09680	1.6
442.10675	0.6
445.62869	0.5
450.06985	1.0
454.10535	2.2
455.11279	6.4
456.12039	0.8
465.09708	3.0
466.10452	1.8
470.09753	0.9
473.12292	2.6
483.09824	2.6
484.11334	1.1
485.12296	1.6
494.10089	0.7
503.13269	1.8
509.12485	4.3
510.12518	0.7
527.13513	14.0
528.13501	2.8
545.14532	100.0
546.14911	20.4
546.21588	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	25.1
61.98693	4.0
63.60491	1.3
67.92948	1.3
69.50346	8.7
71.01270	3.3
72.99193	1.4
73.02785	1.3
78.95758	2.8
81.58288	1.7
85.02846	1.7
89.02304	2.6
96.95893	6.1
101.02326	4.0
113.02334	1.6
115.65679	1.5
161.04396	1.6
205.19411	1.3
234.02859	1.2
235.08060	1.4
249.18564	100.0
250.18977	8.7
253.09232	14.4
254.09799	1.7
259.96158	1.6
325.70505	1.6
349.27420	10.8
527.13617	1.8
545.14606	7.8
545.29120	1.9
546.14539	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	540.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.7
61.98695	1.1
64.25309	0.5
64.96230	0.5
69.28792	4.4
69.49226	0.5
71.01259	1.3
79.20434	0.4
85.52612	0.4
89.02310	0.5
92.04943	1.1
94.06507	1.7
96.95901	0.8
102.44762	0.5
107.03642	8.9
110.02358	0.6
112.03950	2.7
116.04944	10.0
120.04433	1.1
121.05230	0.5
122.06005	50.5
123.03156	5.8
123.06341	2.0
124.03952	4.2
124.07598	0.5
132.04440	6.9
133.02803	0.7
134.06012	2.8
135.04367	0.7
138.05504	19.3
139.02637	3.6
139.05930	0.5
140.07089	0.5
148.03978	0.7
150.05528	1.3
152.07077	100.0
153.07458	4.2
158.02353	2.5
160.03946	32.4
161.02332	0.7
161.04308	1.5
162.05493	0.9
164.07103	7.1
166.05042	1.3
169.83218	0.5
172.03951	1.2
175.03911	1.1
176.03458	1.1
181.84937	0.5
182.04547	1.6
183.05228	0.6
184.06094	3.5
190.05029	11.8
191.05479	0.5
192.06592	66.5
193.06926	2.9
200.07016	0.7
204.06584	1.9
212.10767	1.0
217.10814	1.1
224.61592	0.5
237.10280	1.0
251.08224	0.8
255.11328	2.3
259.11749	0.5
265.06247	0.8
267.11316	1.3
281.09290	2.4
293.09308	1.7
295.10864	0.9
297.12231	1.1
325.11935	35.1
326.12250	3.5
329.15021	1.2
355.12961	13.6
356.13269	1.3
357.14560	60.7
358.14859	6.6
379.16208	0.8
403.16284	0.6
420.19043	1.3
421.17502	0.7
436.15088	1.4
446.17087	3.1
464.18216	13.2
465.17639	3.3
466.16888	0.6
468.17706	2.0
478.19818	1.7
490.16235	3.1
491.16687	0.9
496.21259	0.9
508.17166	16.0
509.17642	2.8
522.18604	3.8
540.19897	7.0
541.19965	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	541.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.4
59.01248	26.2
60.01583	0.6
61.98385	0.7
61.98701	12.7
67.15126	0.5
71.01249	7.0
71.49623	0.8
72.99175	0.5
73.02832	2.5
75.00748	0.6
78.95758	1.5
79.95606	20.6
80.96379	1.5
83.01242	1.0
83.04898	0.8
85.02833	2.2
87.00762	0.9
89.02316	4.1
91.41131	0.5
95.95108	12.3
96.95885	100.0
98.95457	0.7
99.00756	0.7
101.02325	5.3
103.00253	9.6
109.06427	0.6
111.58549	0.5
112.85808	0.4
113.02336	4.3
119.03372	1.6
119.04922	0.5
122.97488	0.6
125.02332	0.7
127.05011	1.3
128.03384	0.8
129.95677	0.9
130.08664	0.4
134.03612	0.8
134.97452	0.7
135.04405	0.5
136.99020	0.8
137.05998	0.6
138.96954	1.1
143.10690	1.2
145.06102	1.7
148.05095	0.6
149.05959	1.0
149.24686	0.4
150.96954	1.9
152.98537	2.5
160.01532	1.1
161.02335	0.7
161.04457	3.0
163.03889	1.1
164.98517	2.9
165.05461	1.0
179.05421	0.6
182.95993	1.0
194.99596	1.6
197.01205	1.4
198.99037	0.6
211.13316	5.6
212.13702	4.8
213.13971	1.0
222.99210	0.7
225.00674	4.8
238.98613	0.7
241.00204	18.2
242.00659	0.8
253.09312	0.8
256.99692	0.9
259.01309	1.7
283.01276	7.3
287.16434	1.2
299.00662	0.8
301.02377	1.0
305.17633	1.6
327.00137	2.8
345.01370	1.6
365.18240	3.3
373.05951	0.6
389.05701	0.6
391.07065	2.1
405.08429	2.2
406.08981	1.4
407.06290	2.3
419.25339	2.7
420.07303	0.8
420.25735	1.3
421.07861	1.6
433.07950	1.0
437.07617	0.8
447.09763	0.7
449.07288	2.5
450.07547	0.5
452.06299	0.7
455.08600	5.0
456.09116	0.7
464.06213	1.7
477.07202	1.5
478.07114	0.8
481.27875	0.7
491.08844	2.9
492.09015	2.3
493.06784	3.3
494.06436	0.8
496.05148	2.0
497.09607	4.7
499.29343	0.6
509.05869	0.9
523.07538	0.6
541.08636	6.1
541.27466	0.7
542.09149	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	541.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.5
61.98713	0.2
69.19046	1.8
71.01239	0.9
72.09612	0.2
72.99197	0.2
73.02803	0.2
75.73323	0.2
76.62297	0.2
79.95606	2.7
85.02811	0.3
89.02311	0.7
92.57500	0.2
96.95886	100.0
97.95831	0.3
101.02323	0.8
111.80450	0.2
113.02323	0.4
119.03401	0.2
142.23373	0.2
287.16489	0.2
361.20630	0.5
541.26855	49.7
542.27179	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	541.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.7
60.99175	13.4
61.98698	0.5
69.41723	1.5
71.01264	0.4
72.99175	1.4
75.00746	0.6
75.50989	0.2
77.41982	0.2
78.95776	0.4
83.04897	1.0
87.00785	1.1
88.00270	3.5
88.98676	100.0
89.02311	8.7
89.99004	1.3
90.01836	0.9
91.01329	0.2
96.95886	1.0
96.96876	0.3
101.02312	0.3
135.63652	0.3
145.02838	0.4
150.03172	0.4
150.05490	0.4
161.02283	0.2
165.05482	0.2
166.02531	0.3
175.03954	0.3
181.05020	0.4
194.04619	0.4
207.10289	0.3
212.04607	0.2
224.17538	0.2
225.11253	0.3
225.15996	0.5
250.33299	0.2
278.25009	0.2
280.49890	0.3
287.13461	0.2
313.10773	0.3
314.11368	0.2
333.22818	0.4
342.13245	0.3
344.12122	0.3
351.23959	0.4
376.28802	0.2
447.29926	0.5
449.31073	1.3
451.32993	0.6
465.30746	1.0
481.34155	0.4
541.17389	0.7
545.31921	0.3
558.55548	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	537.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03299	1.5
58.00470	2.6
59.01249	54.8
59.01676	1.7
60.01573	0.6
61.98667	1.7
70.78563	0.9
71.01253	31.4
72.01566	0.8
72.99180	3.3
73.02785	2.3
76.23247	0.6
83.01219	2.3
85.02816	6.3
87.00748	1.0
89.02317	33.5
90.02643	0.9
95.01260	2.5
95.07275	0.6
96.95850	1.5
97.02802	0.5
99.00727	0.5
101.02322	16.9
113.02326	10.9
119.02603	0.8
119.03396	13.5
125.02327	0.6
127.11176	4.6
128.03380	0.9
128.39560	0.6
131.03360	1.4
141.06923	0.5
143.03345	2.2
149.04460	1.1
153.12747	14.5
154.13031	0.8
155.10660	1.9
157.12247	10.0
161.04419	1.7
169.01167	0.6
171.13844	0.5
179.05582	3.9
183.13760	2.2
187.13281	2.8
241.14378	0.8
311.25919	12.0
312.26303	1.2
351.57803	0.5
355.12866	0.6
357.26443	100.0
358.26767	13.3
362.32748	0.5
375.27597	0.7
537.32861	29.2
538.32916	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	539.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37786	0.5
56.59307	0.5
57.03323	0.5
58.00464	0.5
59.01248	23.8
61.98692	4.9
63.60504	0.6
70.27143	0.4
71.01250	8.2
71.49824	0.6
72.99166	0.7
73.02815	2.1
75.00757	0.7
78.95760	2.2
79.95616	1.6
83.01270	0.8
83.04897	0.5
85.02823	2.1
87.00773	1.2
89.02316	5.7
96.95889	16.7
98.95466	3.0
98.96199	0.5
99.00787	0.6
101.02328	6.4
102.02663	0.7
103.00251	1.3
110.25936	0.4
113.02328	3.6
119.03386	2.0
122.06010	0.5
135.04361	0.5
137.02246	0.4
143.03349	0.6
149.02315	0.9
149.04349	0.5
153.01817	0.6
153.12642	0.5
153.40614	0.4
161.04500	1.9
179.05531	0.8
183.13831	6.1
184.14166	0.6
193.12268	1.3
197.59601	0.5
211.13341	100.0
212.13704	7.1
235.08061	0.8
241.00162	3.6
253.09273	12.3
253.11911	0.8
254.09515	0.8
283.01501	0.9
357.26431	1.4
358.26700	2.0
359.23083	0.6
359.27014	3.4
371.13647	2.1
373.13696	2.8
387.12723	0.5
392.36685	0.5
405.08472	1.9
407.06509	1.4
413.14792	1.5
414.15042	0.6
415.14767	1.8
419.25494	1.6
447.09354	0.7
447.22379	8.3
448.22601	0.7
457.13733	2.0
459.13834	3.3
460.13754	0.7
463.19464	0.5
464.17981	0.5
488.54819	0.6
491.08466	3.4
493.06366	0.5
507.18243	0.6
539.33264	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	540.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30616	0.5
59.01252	2.1
60.53028	0.5
61.90802	0.5
61.98692	1.8
63.34601	0.4
63.91942	0.5
69.03336	1.6
71.01253	1.0
76.68198	0.5
92.04922	1.1
94.06513	2.2
95.01315	0.5
96.04476	0.5
96.95885	0.6
97.02770	0.6
99.00700	0.6
106.06445	0.6
107.03654	6.1
110.02393	1.7
112.03941	2.9
116.04956	7.4
120.04430	0.9
121.05245	0.5
122.06010	43.8
123.03147	5.5
123.06346	1.5
124.03945	3.8
124.07558	0.7
130.02893	0.8
130.08577	0.5
132.04451	6.0
134.03635	1.3
134.06000	2.3
138.05511	15.9
138.06583	0.9
138.11987	0.4
139.02692	2.7
139.05815	0.7
140.07051	0.6
141.01845	0.7
148.03925	0.6
150.05504	1.4
152.07079	100.0
153.07436	3.8
158.02357	2.8
160.03952	27.2
161.04373	1.0
164.07101	5.2
166.04974	1.1
172.04019	0.6
176.03442	1.1
182.04533	1.5
184.05974	2.9
185.00844	0.9
188.07101	0.8
190.05038	14.4
191.05396	1.2
192.06598	73.9
193.04982	1.5
193.06982	3.5
203.01962	1.0
204.06650	2.4
221.85115	0.5
255.11383	2.7
256.09872	0.6
261.21024	0.5
265.09949	1.4
266.06955	0.6
267.11462	2.1
281.09326	1.9
293.09311	0.9
295.10892	1.2
297.12527	1.3
323.10382	1.8
325.11926	19.4
326.08899	0.6
326.12256	2.5
329.15161	1.4
355.12973	9.6
356.13342	1.5
357.14569	60.1
358.14804	6.9
420.19327	1.5
436.15045	1.0
437.16275	0.6
446.17365	2.4
447.17300	0.6
464.18286	14.3
465.17227	2.3
468.17841	1.7
477.10330	0.9
478.19797	1.9
490.16391	2.9
496.20932	2.4
497.20810	0.6
508.17239	23.8
509.17633	4.0
522.18665	3.9
540.19861	10.1
541.20349	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	537.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	15.5
61.98690	0.9
63.06436	0.5
70.80657	1.7
71.01257	3.4
73.02814	1.2
75.00745	6.6
78.95773	0.7
79.95603	10.4
80.04941	1.2
80.96385	4.5
85.02820	1.7
87.00762	0.8
89.02324	0.7
95.95095	0.7
96.95886	100.0
97.95815	0.6
98.20484	0.6
101.02307	2.4
103.00227	5.6
106.03612	0.8
113.02344	1.0
114.25410	0.6
116.99615	0.6
121.73059	0.5
122.05993	2.6
123.06384	0.6
134.06001	1.7
137.96144	1.2
138.96967	3.1
148.04086	0.6
148.05270	1.4
150.96945	1.8
152.07074	4.8
153.07384	1.2
161.04422	0.8
164.98518	2.3
180.97986	1.7
181.04964	3.5
182.05347	1.6
183.05598	0.7
188.07002	2.1
189.95576	0.6
193.04898	0.7
196.55255	0.6
205.05013	0.7
223.06021	1.2
224.06490	0.6
225.04236	0.9
238.07616	0.7
241.00204	4.0
253.09706	1.7
254.10295	0.8
267.11475	0.7
283.01297	2.7
287.09225	1.9
288.09637	2.0
289.09821	1.7
295.10785	2.6
296.11185	2.7
307.10822	0.9
308.11060	1.2
312.12537	0.9
353.12820	2.4
371.13776	72.1
372.13989	5.8
392.35895	0.6
413.14838	49.3
414.15186	4.6
439.12811	1.0
457.13834	84.9
458.14133	10.1
460.18689	4.7
461.19095	9.0
493.15210	1.4
504.17780	3.9
505.18082	8.4
537.20569	2.7
537.32703	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	537.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.5
57.03303	0.9
58.00453	2.1
59.01250	43.7
60.01567	0.6
61.98687	1.4
70.78214	0.7
70.78519	0.7
71.01250	25.3
72.01580	0.5
72.99180	2.5
73.02817	2.7
80.58029	0.5
80.63211	0.5
83.01249	1.3
85.02817	4.9
87.00732	1.4
89.02312	26.5
95.01261	1.9
96.95916	0.8
101.02316	12.6
102.02666	0.5
111.66783	0.5
113.02309	8.1
119.03384	11.4
127.11167	3.1
131.03369	0.7
143.03383	1.5
149.04552	0.7
153.12755	13.1
155.10677	1.2
157.12250	8.7
161.04430	1.8
179.05522	3.8
183.13802	2.2
187.13327	3.1
277.25089	0.7
281.25006	0.7
311.25925	10.1
312.26410	1.0
312.63910	0.6
335.22501	0.6
353.62430	0.5
355.12842	0.9
357.26434	100.0
358.26782	11.5
375.27765	0.7
477.30859	0.7
510.68457	0.6
537.32819	28.7
538.33191	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	536.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.0
61.98712	0.7
69.35155	5.3
71.01290	2.1
80.04928	11.2
81.95450	0.6
85.02870	0.6
89.02358	1.1
94.06554	2.2
98.20627	1.4
101.02374	1.3
104.04951	4.6
106.06500	5.7
107.03640	4.1
108.04438	4.4
108.08060	0.7
122.06002	27.6
122.06844	1.6
123.06378	0.7
124.07610	0.8
130.06583	2.6
132.04510	1.3
134.06004	12.0
136.06721	0.8
136.07559	4.2
139.02708	2.4
146.05989	4.0
147.03214	1.4
148.03952	4.3
150.05577	1.5
152.07074	58.2
153.07481	2.1
158.06097	1.0
160.04018	3.3
160.07655	1.6
173.04767	1.7
174.05489	4.0
180.06541	8.6
186.05542	1.5
188.07086	22.5
189.07457	1.8
199.12462	0.8
210.07932	1.9
211.08710	4.4
223.08829	1.2
223.12367	1.2
224.09541	2.1
225.10313	5.9
226.11101	2.3
227.11830	5.7
235.08749	1.2
236.09521	0.9
237.06932	0.8
237.10356	1.9
238.07564	3.1
239.08191	1.4
239.11885	1.8
245.12941	6.2
248.09494	1.5
249.06929	0.9
249.10286	2.4
250.07477	1.3
251.08249	3.9
251.11966	2.4
252.08980	3.8
253.09813	13.0
254.10460	1.4
262.07632	1.0
263.08221	1.0
264.09055	1.8
265.09686	4.1
266.10422	1.0
267.11316	6.1
272.11688	0.8
277.09802	2.9
278.10538	1.1
279.07816	5.1
279.11429	3.6
280.08536	1.3
281.09290	1.0
292.08499	1.2
293.09363	3.6
294.10114	4.3
295.10846	41.1
296.11176	3.9
302.97299	0.7
307.10883	13.7
308.11328	1.5
313.12054	1.2
321.08847	1.0
323.10361	3.3
327.12418	1.3
339.09875	2.4
390.18262	1.2
392.20007	1.6
400.16650	1.1
418.17850	0.8
432.19061	1.9
436.18817	1.0
460.18768	100.0
461.19122	17.6
463.17441	1.6
476.18243	2.9
486.16702	1.2
504.17752	98.5
505.18088	18.3
536.20325	13.4
536.27856	1.0
537.21167	3.5
537.32867	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	535.268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26746	0.5
59.01234	1.6
61.98717	0.9
69.17719	1.0
69.18117	5.4
70.83839	0.6
78.95772	58.9
92.52686	0.5
96.95919	0.6
96.96827	6.7
128.69966	0.6
140.18083	0.5
150.97917	0.6
152.99487	100.0
153.99834	1.5
171.00557	4.5
183.86467	0.6
193.10681	0.5
202.94058	0.8
277.18042	1.3
295.19086	1.5
309.82315	0.5
395.04056	0.6
449.19452	5.2
535.26666	15.8
536.27100	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	536.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
58.00490	1.2
59.01247	27.1
61.98704	4.5
71.01254	12.0
71.01607	0.8
71.04915	0.7
71.05257	1.7
71.74328	0.7
72.99200	1.1
73.02845	2.5
75.00755	0.9
78.95800	0.8
79.95589	3.3
80.04932	12.3
80.05315	1.1
80.96415	1.3
83.01311	0.7
85.02831	3.4
87.00778	1.3
89.02316	11.3
89.02824	0.7
94.06519	2.4
95.01261	1.1
96.95886	31.0
99.00760	1.0
101.02312	5.5
103.00271	1.6
104.04949	4.2
106.06486	5.2
107.03069	0.7
107.03661	3.9
108.02079	1.6
108.04412	3.8
108.08069	1.2
113.02327	4.5
114.08659	0.7
119.03379	3.9
121.05219	0.6
122.06007	36.2
124.07574	0.7
125.02318	1.0
127.11234	1.7
130.06564	1.9
132.04494	2.6
134.06013	16.9
136.07578	5.2
139.02663	2.2
145.05258	0.8
146.06001	3.9
148.03967	3.7
148.07568	1.2
150.05513	1.4
150.96988	0.7
151.04013	0.8
152.01051	0.9
152.07076	69.4
153.07471	3.0
153.12767	3.3
157.12280	3.0
158.06070	0.7
160.03992	3.1
160.07605	1.3
161.02406	1.3
162.05505	1.3
172.03741	0.7
173.04762	2.0
174.05495	4.8
179.05585	1.4
180.06590	9.1
183.13905	1.4
186.05563	2.0
187.13432	1.4
188.07092	26.9
189.07442	2.1
190.05045	1.3
195.09378	0.8
195.13849	0.9
207.09071	0.9
210.07901	1.8
211.08688	6.1
212.09096	1.0
214.05099	0.7
223.08827	1.5
223.12442	1.5
224.09622	1.8
225.04454	0.8
225.06778	0.8
225.10271	8.2
226.11066	2.2
227.11853	8.8
228.12213	0.9
235.08800	1.1
236.09511	1.2
237.10303	2.8
238.07368	5.9
239.08115	1.5
239.11943	3.1
241.00244	2.1
243.11304	0.8
245.12897	6.8
248.09593	1.2
249.06685	1.9
249.10368	2.4
250.07388	1.2
251.08170	4.9
251.11862	3.7
252.09027	4.0
253.09781	16.0
254.10287	1.3
261.10233	0.7
263.08246	1.0
264.09085	1.9
265.06107	0.9
265.09833	5.3
266.10458	2.1
267.11386	7.4
277.09814	5.1
278.10272	1.7
279.07800	6.3
279.11407	4.0
280.08337	2.2
280.11520	0.9
281.09155	1.2
285.12512	0.9
291.11340	0.9
292.08713	1.7
293.09290	4.4
294.10172	5.5
295.10861	44.1
296.11279	5.0
305.09229	1.2
306.09872	1.0
307.10870	21.3
308.11261	2.0
311.25931	4.3
313.12003	2.1
313.27332	1.2
321.08878	1.6
323.10175	3.8
325.11832	1.0
339.09985	3.4
351.09915	1.3
357.26428	29.1
371.13766	23.0
390.18326	0.9
392.19708	1.3
400.49274	0.8
403.14755	0.7
413.14859	14.8
414.18268	0.7
418.17505	1.6
432.19629	4.1
436.18942	1.0
442.17883	1.7
447.27942	0.8
457.13818	29.5
458.17520	1.6
460.18765	100.0
461.19067	16.7
463.17563	1.2
476.18076	2.7
486.16663	1.5
504.17758	99.9
505.18112	16.1
506.18088	1.0
518.18481	1.5
535.30646	0.8
536.20331	17.3
536.31445	3.0
537.20587	2.8
537.32947	9.7
562.09033	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	535.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03315	0.9
58.00456	1.4
58.02827	1.1
59.01252	32.0
61.98701	0.7
65.11346	0.5
68.99678	0.7
70.64127	0.9
70.64487	1.2
71.01257	17.3
72.99165	2.1
73.02812	1.7
74.02335	1.6
80.04903	0.6
83.01254	1.7
85.02827	4.8
89.02316	17.7
95.01286	1.1
99.00763	0.9
101.01708	1.0
101.02328	10.6
104.04937	3.3
106.06511	2.3
108.04436	3.7
109.03986	0.5
113.02323	8.1
113.99583	0.5
114.02683	0.5
119.03391	6.8
119.35068	0.5
120.88637	0.5
122.05989	1.0
125.02333	0.6
127.05057	0.7
128.03452	4.0
129.03798	0.7
131.03500	0.5
132.04457	37.6
133.02885	0.8
133.04764	1.4
134.06021	23.6
135.04382	1.4
135.06393	0.9
143.03471	0.8
143.04543	4.7
144.04698	1.2
145.02843	1.3
147.03171	0.6
148.03984	4.1
149.04382	1.4
150.05527	4.0
151.03934	0.6
151.05867	0.9
152.07126	2.8
153.01851	3.7
153.06577	0.6
158.02463	1.2
158.06041	4.4
160.00435	1.1
160.01721	3.6
160.03951	1.3
161.02071	2.3
161.04376	1.2
162.02922	0.5
162.05420	0.6
164.03383	0.5
174.05513	0.6
175.03958	6.0
176.03206	6.8
176.04575	1.0
177.01952	0.9
177.04440	2.1
179.04530	1.0
188.03465	3.2
190.05049	5.2
194.04535	2.7
195.04858	2.1
196.05057	1.3
202.04947	0.9
203.03441	0.5
210.08745	0.6
223.12253	0.7
251.11932	4.7
253.09839	1.0
254.07878	1.0
255.11395	2.4
257.08173	0.8
272.08908	1.4
273.09213	0.6
279.11389	16.2
280.11722	1.4
295.10922	3.4
297.12366	0.9
306.07675	6.6
307.07913	5.5
308.07303	1.1
313.11844	0.5
314.12427	3.0
323.06903	0.9
323.10373	10.7
324.10764	1.3
327.10645	1.0
328.10861	0.6
329.10992	0.5
337.12155	0.9
355.12897	0.9
358.10559	0.5
370.09088	0.9
371.09799	2.7
372.09802	3.4
373.10101	5.0
431.18002	0.8
435.17694	4.9
436.18124	0.6
459.17719	19.3
460.18024	2.1
460.89331	0.6
475.16318	2.7
475.22797	0.9
485.73849	0.6
493.22919	2.0
503.16708	100.0
504.17029	11.2
517.18317	7.1
518.18329	1.0
535.19446	10.2
536.19580	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	535.1822
Annotation	Scrophuloside A1
Peak:m/z	Relative Intensity
59.01249	11.6
61.98677	1.7
69.03312	0.7
69.27718	4.2
71.01257	6.0
73.02802	1.2
78.95741	1.0
85.02802	1.8
89.02311	6.3
93.03310	0.8
95.01257	0.8
96.95876	0.9
101.02322	3.2
105.21430	0.6
108.02052	4.6
109.02848	5.3
113.02282	2.5
115.00301	0.6
119.03372	1.4
119.04861	0.8
121.02836	4.7
122.03663	1.1
123.00700	1.0
123.04422	4.4
124.01534	0.7
128.03407	1.3
129.03331	2.2
130.08635	1.0
131.04884	0.6
132.02071	0.7
134.03592	2.1
135.04362	1.8
136.05122	0.7
137.02280	1.2
138.03064	1.3
139.03844	0.8
145.02841	1.6
146.03629	3.6
147.04417	46.7
148.05142	3.5
149.02338	2.1
149.05946	0.7
150.03113	8.0
150.05466	0.6
151.03888	1.5
152.01024	1.5
153.05464	0.7
158.03635	4.4
159.03177	0.9
159.04428	13.8
160.01511	0.7
160.05209	22.3
161.02336	1.5
161.04524	1.0
161.05965	8.8
162.06702	1.5
163.03914	7.2
164.03320	0.9
164.04704	19.6
168.04167	1.5
173.05963	4.5
175.03862	1.6
175.07561	22.3
176.07861	1.5
177.05479	7.6
178.06284	4.2
179.03442	1.0
192.07835	0.8
193.04915	2.3
193.08603	2.7
217.08476	0.7
239.07016	1.0
246.06387	0.6
251.07132	0.7
252.07825	2.9
253.08150	0.6
254.05386	0.6
267.06720	3.1
268.07394	19.4
269.07779	1.4
282.09021	1.6
283.09738	27.9
284.10184	4.2
285.11191	0.8
297.11441	2.7
298.12018	5.6
299.12830	6.3
314.11624	0.8
329.13931	100.0
330.14282	11.8
343.12027	0.7
373.12891	28.0
374.13034	2.9
440.03925	0.7
491.27133	0.6
535.18268	40.8
536.18414	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	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	9.8
69.28441	4.6
69.28860	11.4
71.01260	3.8
72.61375	1.5
77.20517	1.8
80.04935	5.3
93.03346	7.3
96.95885	3.7
101.02306	1.8
105.03346	3.5
114.58038	1.6
122.06027	5.4
124.01556	9.3
127.19586	1.9
134.05952	2.5
137.05971	7.8
139.03902	14.3
152.01089	3.6
152.07066	11.5
165.01917	2.2
166.02650	8.8
166.43460	1.7
181.04980	100.0
182.05309	6.5
188.07112	5.3
189.87798	1.6
193.04947	4.6
208.03639	2.0
212.16080	2.0
253.09737	2.0
287.09238	72.0
288.09647	4.9
295.10950	8.8
307.10892	4.5
460.18723	19.6
491.15744	13.3
493.30682	2.0
504.17700	18.6
535.31342	7.4
536.19897	4.8
552.66302	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	535.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01590	1.4
61.98710	2.6
71.01259	5.2
71.50519	1.1
72.99189	1.3
73.02822	2.0
78.95796	1.4
83.01268	1.2
85.02824	1.2
89.02324	2.0
93.03371	0.7
95.01276	0.9
96.95898	1.1
97.63227	0.8
101.02342	3.0
108.02039	0.9
109.02823	1.3
113.02334	2.0
117.03417	0.7
122.80283	0.7
123.00835	1.2
133.02876	2.0
133.06480	16.7
135.04402	1.5
137.02402	0.9
138.03125	26.4
149.02371	2.0
152.07114	1.9
153.05479	60.3
154.05821	3.7
158.36554	0.7
161.02333	8.2
177.01930	2.9
192.04312	2.1
207.06555	11.0
208.06908	0.9
223.74458	0.7
224.03249	4.0
258.85721	0.8
261.21741	0.8
292.47543	0.7
294.21591	0.9
295.10931	0.7
312.22934	0.8
313.10800	57.1
314.11099	5.7
315.04236	0.7
326.10526	0.8
329.06531	1.2
330.07126	1.0
330.23999	1.3
331.07407	1.0
331.23917	1.2
460.18954	2.1
475.16168	8.7
475.29224	1.4
476.16684	1.1
491.28433	1.1
492.29453	1.1
493.29788	1.3
504.17847	1.9
534.30090	6.7
535.14172	0.8
535.21863	2.7
535.30811	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2965
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01759	0.7
57.03332	0.8
58.00462	0.7
58.61730	0.2
59.01248	34.7
60.01580	0.4
61.75205	0.2
61.98703	0.6
69.03332	0.8
69.30772	0.2
70.65095	0.4
71.01252	18.0
71.04872	0.2
72.99187	1.6
73.02816	11.7
74.02361	0.3
75.00755	0.3
78.95743	0.3
81.03340	0.4
83.01259	4.2
83.01728	0.4
83.04890	0.5
85.02818	3.7
85.99970	0.4
87.00749	3.3
89.02318	5.7
95.01272	0.9
96.95875	0.3
97.02843	0.8
99.00750	0.8
99.04355	0.2
99.07992	1.1
101.02321	11.0
107.25873	0.2
111.00755	0.4
113.02323	3.8
113.09579	0.4
119.03373	1.8
125.02356	0.7
125.03480	0.5
125.09669	0.7
127.11160	0.4
129.09088	0.3
130.08649	0.3
131.03357	0.7
134.79001	0.2
139.11168	0.3
143.03381	0.3
149.04494	0.4
155.14374	0.3
160.01579	0.3
161.02290	0.3
161.04448	0.4
163.11218	1.0
165.12744	0.3
167.10718	0.3
167.14288	0.4
168.11418	0.4
171.10165	2.0
181.12192	0.4
183.13773	0.9
185.00163	0.2
185.11777	0.3
191.05492	0.2
193.12289	0.7
209.11757	0.7
211.13342	6.3
211.15439	0.4
212.13748	0.5
229.14415	3.7
230.14647	0.4
249.22214	0.9
270.01602	0.3
293.21213	11.2
293.24506	0.5
294.21515	0.9
311.22260	6.7
312.22629	0.7
313.03500	1.2
314.04062	0.7
328.05804	0.6
329.06680	1.6
329.23306	9.2
330.23657	1.4
353.23328	0.5
473.27417	7.2
474.27820	0.8
491.28549	11.0
492.28833	1.4
515.28394	0.7
533.29633	100.0
534.30005	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00430	0.6
59.01254	6.7
61.50143	0.6
61.98691	2.3
69.03327	2.2
71.01234	3.5
71.49841	0.8
72.99181	1.3
73.02823	1.4
73.78675	0.6
74.02328	0.7
75.00723	0.7
76.21175	0.5
85.02814	1.4
87.00701	0.6
89.02318	2.5
99.00745	0.6
99.05527	0.7
101.02337	2.0
103.80093	0.6
108.02072	1.6
109.02842	3.1
113.02329	1.1
114.82352	0.6
119.03395	0.8
119.57082	0.5
121.02834	1.1
123.04441	1.1
124.01566	1.0
128.03407	1.6
130.08638	9.4
133.02818	1.9
134.03638	9.8
135.04427	11.0
136.04829	0.9
137.02339	5.7
138.03108	2.2
139.03876	0.7
143.04512	1.0
145.02956	0.9
147.04439	5.2
148.04071	0.7
148.05203	9.5
149.02327	2.8
149.06000	9.6
150.03058	0.7
150.05409	0.7
150.06467	0.7
151.03932	1.0
152.01065	1.6
152.04718	1.0
159.04370	0.7
160.01581	1.3
161.02373	4.4
161.04457	0.8
161.18860	0.6
162.05537	1.1
162.06792	3.8
163.03967	1.2
164.03453	1.0
164.04706	2.1
165.05481	0.8
166.05014	1.3
175.03958	2.3
176.03410	5.6
177.04205	4.5
178.05016	14.4
179.03462	1.5
179.05484	1.3
180.06619	1.2
181.03633	0.7
184.03593	1.0
185.00806	1.4
189.04189	1.3
190.05031	9.0
191.05460	0.8
192.02908	1.1
192.06599	3.8
193.01372	1.2
194.04488	0.6
200.53128	0.6
204.06599	3.2
206.04533	0.8
207.05328	1.4
222.07657	0.6
272.08890	0.6
313.10944	1.0
322.18790	0.6
342.09720	3.3
351.72861	0.6
354.19290	1.4
356.11362	1.5
357.08194	1.0
357.12195	10.9
358.12231	0.7
372.14520	100.0
373.14838	11.5
383.09900	0.7
516.24225	0.8
534.25397	3.1
535.31555	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	534.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45343	1.1
54.65548	1.0
58.02854	6.4
59.01242	21.6
61.98694	1.3
69.03311	1.8
69.48277	5.5
69.48693	2.3
71.01243	13.7
72.99194	2.0
73.02814	3.5
73.13589	1.0
74.02338	13.3
82.02860	2.5
85.02817	3.4
85.33883	1.0
86.02338	4.2
87.05522	2.5
88.03935	1.0
88.98676	2.4
89.02309	9.3
95.01268	1.1
96.95908	1.5
97.03902	1.6
99.05518	10.7
101.02307	7.3
101.07039	2.2
102.05449	1.7
109.03928	1.4
111.05499	1.0
112.03867	1.2
113.02330	9.0
113.03444	1.0
116.92752	1.2
119.03390	3.2
123.05540	1.7
125.03411	1.2
127.05021	1.8
128.03415	28.8
131.03403	1.5
131.04451	1.2
135.04503	1.7
135.05528	3.3
141.06552	2.5
143.03467	1.9
143.04515	39.8
144.04935	1.3
145.06071	2.0
146.04478	3.8
150.05481	1.5
153.06636	2.9
160.00587	8.0
160.01727	1.0
161.02304	2.1
161.04474	2.5
166.09810	2.2
167.04538	2.5
167.08189	1.7
175.03889	1.7
177.01784	1.1
177.03290	4.9
179.04433	7.4
181.06013	1.4
210.08734	9.6
254.07800	12.7
272.08908	20.9
273.09232	1.4
281.64355	1.3
288.06631	7.4
306.07623	100.0
307.07776	5.7
318.89191	1.3
365.65207	1.1
379.55859	1.1
475.21851	8.3
493.22711	7.4
519.01154	1.1
534.13599	1.9
534.20868	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	533.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46561	0.2
54.55524	0.2
55.01776	1.2
57.03322	4.2
58.00460	0.9
59.01250	39.1
60.01586	0.4
61.98700	0.7
63.73160	0.2
66.79660	0.2
67.01759	0.7
68.99690	1.1
69.03315	1.2
71.01252	30.1
72.01588	0.4
72.99178	6.7
73.02818	4.6
75.00745	37.8
76.01084	0.3
78.74068	0.2
83.01256	3.9
84.02058	0.4
85.02821	35.0
85.99982	0.3
86.03169	0.6
87.00745	10.0
89.02313	8.8
95.01257	3.2
96.95874	0.4
97.02825	1.0
99.00752	11.9
101.02321	7.7
101.02995	0.4
103.00251	1.2
109.02846	0.3
111.00759	0.9
112.01533	0.9
113.02330	35.0
114.02658	1.0
115.00243	3.0
116.01074	0.5
117.01828	2.5
119.03409	2.5
125.02330	0.6
129.01843	1.0
131.03380	2.6
133.01328	0.4
134.03712	0.3
139.00266	0.4
139.50787	0.2
143.03375	0.6
149.04457	0.5
157.01329	1.2
160.01639	0.4
161.04453	0.7
173.04454	4.4
175.02419	4.6
175.03931	0.5
179.05455	0.3
191.05547	1.2
199.09801	0.3
201.11130	0.3
215.05563	0.8
225.04337	0.5
231.80180	0.3
233.06747	0.3
415.19678	0.4
429.21252	2.2
430.21967	0.4
473.20081	1.0
473.26605	0.3
491.21466	0.5
491.27966	0.3
515.21405	1.1
533.22375	100.0
534.22675	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91705	0.3
59.01250	5.3
59.92303	0.3
61.41249	0.2
61.98704	5.1
68.62894	0.3
71.01255	1.8
71.21793	0.5
72.99170	0.5
77.20828	0.2
78.95770	0.3
79.95620	0.5
85.02832	0.6
87.00774	0.3
89.02318	0.4
93.03339	1.8
95.01273	2.2
96.95908	0.8
101.02340	1.2
103.78169	0.3
108.02046	4.0
109.02837	3.4
113.02348	0.5
118.99472	0.3
119.04897	1.2
121.02847	9.2
122.03174	0.4
122.89175	0.3
123.00752	1.9
130.39558	0.3
131.04910	3.5
134.03624	3.4
135.04428	0.4
137.02322	1.1
137.05988	0.4
138.03125	47.2
139.00226	0.4
139.03403	1.6
147.04427	4.4
148.05034	0.3
149.02376	3.4
149.05983	65.5
150.06308	3.2
153.05476	100.0
154.05817	4.3
159.97446	0.5
160.01596	1.4
163.03879	0.7
175.03922	77.8
176.04268	4.5
177.01840	3.2
179.02650	0.3
191.03438	1.9
192.04182	3.4
193.04817	0.3
207.06561	13.0
208.06873	0.8
209.08284	0.4
224.03214	6.4
225.03621	0.4
237.04367	1.2
264.04294	0.3
281.04568	0.5
296.07004	0.5
299.05624	0.4
311.09341	2.0
329.10284	62.6
330.10596	7.0
371.24274	0.5
473.14240	1.6
491.15549	0.5
491.28461	0.5
533.16595	4.4
533.28687	2.2
534.17432	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	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75133	0.9
57.03310	1.0
59.00965	1.0
59.01252	19.5
60.08614	0.9
61.29096	0.8
61.98693	3.6
62.61377	0.9
64.81942	0.8
71.01250	7.3
72.99164	1.3
73.02843	0.9
82.91772	0.8
85.02821	2.5
89.02305	5.3
90.31939	0.8
93.03338	5.8
95.01257	3.0
96.95871	2.7
101.02327	3.9
108.02054	6.4
109.02841	4.0
113.02317	2.7
117.03325	1.7
119.03358	1.2
119.04890	1.4
121.02843	81.9
122.03199	2.5
123.00736	1.8
123.04402	3.0
124.01493	1.7
131.04884	3.7
132.02068	1.0
134.03612	2.3
135.04424	1.9
137.02330	3.2
138.03122	52.5
139.03772	1.5
143.03389	1.1
145.02856	8.9
147.04424	4.7
148.05199	20.8
148.07568	1.2
149.02315	2.3
149.06012	13.9
151.00287	1.1
153.05478	100.0
154.05774	4.3
160.01581	8.8
161.02295	3.3
163.03886	2.7
175.03926	96.9
176.04294	5.0
177.01865	3.7
191.03436	0.9
192.04248	1.9
193.04958	1.0
205.04991	1.1
207.06569	7.4
207.10274	1.3
224.03239	5.1
284.03223	1.0
285.03967	6.7
314.10229	5.5
327.05051	1.3
328.09338	5.1
329.10260	34.7
330.10568	2.4
353.12299	1.9
387.16638	16.6
388.16888	1.2
446.10403	0.9
473.14401	1.7
473.27695	1.3
490.14828	1.1
491.15497	2.4
533.16431	17.7
533.29144	8.8
534.17407	3.7
534.29871	1.3
541.63312	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	533.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33701	0.6
55.21878	0.6
57.03321	1.2
58.31112	0.6
59.01245	8.6
59.46944	0.5
61.98691	1.7
62.46161	0.6
68.99670	0.7
69.03327	1.8
71.01249	4.9
71.49327	1.1
72.99182	0.6
73.02805	2.3
78.95780	0.7
81.03323	6.6
83.01246	4.9
85.02815	2.2
85.17706	0.7
87.00742	1.2
89.02309	1.5
93.03321	1.5
95.01261	2.2
95.04898	3.6
96.95875	0.9
97.02818	3.2
97.68293	0.6
99.00755	1.7
99.04430	2.9
99.08000	1.1
101.02303	2.5
101.05956	2.4
107.04913	1.1
108.02028	1.4
109.02834	3.3
109.06471	0.7
111.00755	1.1
111.04382	2.0
113.02354	3.5
119.04882	1.4
121.02841	2.9
121.06519	0.7
123.00826	1.0
123.04414	7.5
123.08080	1.1
125.02344	8.8
125.05945	7.8
127.05020	1.0
127.07512	0.8
128.03461	1.0
130.08617	1.9
133.02864	1.0
134.03604	0.9
135.04417	3.6
137.02359	4.7
137.05962	2.0
138.03114	1.0
139.03886	3.6
145.02817	0.7
145.06085	1.1
147.04454	1.5
149.02391	1.4
149.05988	1.3
150.03136	1.5
150.05542	1.1
151.03882	2.7
155.03462	0.9
160.01534	1.1
161.02327	1.3
161.04521	0.8
163.03877	1.6
163.07573	1.0
164.04692	0.9
165.01833	1.5
165.05473	3.5
165.09128	7.0
166.02614	1.5
167.03409	16.1
168.03664	0.7
175.03941	3.0
177.01820	1.0
177.04208	0.9
177.05565	0.9
177.09100	1.8
178.05025	0.9
179.03430	2.6
179.10722	3.6
181.04936	1.3
181.08684	3.4
183.10150	0.9
185.00838	0.9
190.04938	0.6
191.03447	1.5
191.05443	0.6
191.10692	0.7
192.06534	1.0
195.06503	0.7
197.04475	2.8
203.10706	1.1
205.08644	1.7
205.12291	0.7
207.06569	2.0
207.10196	1.1
209.04503	19.0
209.08095	8.3
210.08540	0.7
219.10213	1.1
221.08124	3.9
221.11703	0.9
223.09671	0.8
231.10172	0.7
233.08017	1.2
235.09877	2.9
235.11771	0.7
239.05621	7.2
247.09654	0.6
249.11269	0.9
251.09209	18.7
252.09636	1.3
261.07700	1.0
263.09259	9.2
265.10715	0.9
269.06650	1.7
275.09204	1.8
277.10776	1.9
281.10303	6.3
291.08783	1.1
293.10303	100.0
294.10696	8.8
305.10370	5.1
323.11346	70.4
324.11786	5.7
335.11398	3.2
347.11191	0.9
353.12512	17.3
354.12903	1.4
357.12262	0.9
365.12369	2.1
371.11145	0.8
372.14517	8.9
377.12680	1.1
395.13693	6.6
407.13422	0.8
413.09268	1.4
413.14514	16.2
414.14853	1.6
425.14554	4.0
443.15466	2.8
533.18713	10.5
533.27246	3.1
534.19080	1.7
534.27148	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	533.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
61.98697	1.3
62.96282	0.5
71.30221	0.3
78.95773	58.8
86.47920	0.3
93.93330	0.3
96.96837	6.7
150.97919	1.6
152.99486	100.0
153.99840	1.7
171.00552	4.4
178.88356	0.4
179.89214	0.4
180.89940	1.1
196.89412	14.1
197.89429	0.8
280.23627	0.5
347.25500	0.3
412.02011	0.3
533.16187	0.9
533.28796	6.1
534.29224	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	533.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
58.12548	0.5
59.01249	7.5
59.35063	0.5
61.98697	0.7
62.40473	0.4
67.01730	0.5
67.33256	0.4
69.21268	0.4
69.22801	3.3
69.23215	1.1
71.01250	2.5
72.99184	0.7
73.02821	0.5
85.02824	1.2
89.02298	0.9
93.03330	7.5
95.01243	4.1
96.95901	2.0
101.02305	1.3
108.02049	4.9
109.02843	5.1
113.02345	0.9
119.04894	0.9
121.02840	85.0
122.03163	2.9
123.00761	2.2
124.01626	0.7
128.03430	0.6
131.04915	5.7
133.02814	0.7
134.03645	2.2
135.04422	1.0
137.02379	2.4
138.03120	57.3
139.03581	1.6
145.02858	0.6
146.03589	0.6
147.04410	4.3
148.05196	20.1
149.02354	2.8
149.05981	14.9
150.06337	1.0
153.05472	100.0
154.05780	3.9
160.01549	7.6
160.98715	0.4
161.02257	0.8
163.03838	1.0
165.01775	0.6
174.03157	0.9
175.03915	96.7
176.04272	5.4
177.01840	2.9
179.03407	0.6
191.03401	1.1
192.04219	1.9
193.04973	1.1
201.11261	1.8
207.06566	8.0
224.03207	4.4
267.03036	0.5
285.04080	0.5
296.06927	0.7
311.09247	2.0
328.09430	5.1
329.10272	37.7
330.10605	3.9
353.12314	1.4
371.24396	0.5
473.14862	1.4
473.27475	0.8
491.15491	2.5
491.28619	1.3
492.16171	0.5
533.16656	18.0
533.29443	9.4
534.17151	3.1
534.30310	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	533.1299
Annotation	Rhamnazin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01251	6.8
60.72200	0.3
61.98697	2.4
62.58596	0.3
69.02017	0.3
70.51637	1.3
71.01257	2.4
72.99150	0.4
73.02808	1.3
81.49011	0.3
85.02818	0.7
89.02306	0.7
97.02841	0.4
101.02331	1.6
101.38488	0.4
107.58903	0.4
108.68964	0.3
109.99989	0.5
113.02274	0.7
121.02859	0.5
128.30814	0.4
153.05482	0.4
156.59724	0.3
161.02415	0.6
164.03442	0.4
165.01843	4.2
169.02686	0.4
175.03896	0.4
182.03732	0.7
186.03154	0.6
198.03123	2.0
199.03819	0.8
211.13306	1.7
213.05539	1.0
214.02562	3.0
215.03374	0.7
216.00615	0.4
226.02658	4.3
227.03278	1.1
241.01410	1.0
241.05009	1.8
242.02148	16.9
243.02914	5.4
245.00929	2.0
253.99713	0.7
254.02184	8.5
255.02783	0.9
257.04526	8.7
258.05093	1.4
269.04526	6.8
270.01688	14.6
270.04639	0.9
271.02429	12.5
272.02820	1.0
285.04025	12.6
286.04602	2.6
298.01126	4.4
299.01935	15.0
300.02203	1.3
311.22195	0.8
313.03522	76.4
314.04218	26.5
315.04700	2.4
327.05151	0.6
328.01605	0.4
328.05856	41.2
329.06628	100.0
329.23318	1.0
330.06940	7.9
360.51440	0.4
371.07761	1.0
473.26819	0.7
491.28461	1.0
533.12976	26.5
533.29596	8.6
534.13318	4.4
534.30243	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	533.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.3
61.98684	0.8
65.00191	1.2
69.18251	2.5
69.18674	2.9
71.01241	1.1
73.02801	0.8
83.01241	0.5
85.02812	0.5
93.03342	3.7
95.01260	0.7
96.95876	0.6
109.99964	0.8
111.00764	20.7
120.46961	0.5
124.01530	1.8
133.06490	3.6
136.98692	1.2
139.00273	49.5
139.03853	1.4
140.00620	1.7
149.02362	0.8
153.01820	2.0
154.02626	37.1
155.03003	1.4
157.06511	0.8
164.98222	6.1
165.01779	0.8
166.99738	0.9
169.04979	39.1
170.05344	1.7
175.07632	0.8
179.27345	0.5
180.00587	2.1
185.05946	0.6
192.00549	3.2
193.01353	18.5
194.01736	0.7
195.02780	0.9
199.07623	1.0
201.05461	0.8
205.01309	0.6
207.02893	1.7
208.03706	12.3
209.04184	0.9
222.71887	0.5
223.06050	13.6
224.06374	1.0
253.05168	0.9
255.06435	0.9
271.06192	0.9
281.04507	1.3
296.06921	0.6
298.04813	0.7
299.05594	25.4
300.05905	2.2
303.28262	0.6
314.07922	12.3
315.08502	1.3
329.10278	100.0
330.10654	10.9
341.03177	0.5
443.09738	0.9
448.39789	0.5
473.14471	1.5
475.12402	1.7
476.12195	0.6
491.15796	0.6
491.61823	0.7
503.12140	4.8
518.14307	3.8
519.14740	0.5
533.16669	11.7
533.29388	0.9
534.16901	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	533.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.3
61.74613	0.3
61.98703	0.6
65.00192	1.2
67.01757	0.4
69.39469	1.0
69.39893	1.8
71.01252	0.7
73.02831	0.7
83.01262	0.8
83.18520	0.4
83.62252	0.3
89.74728	0.3
92.99706	0.5
93.03335	4.0
95.01292	0.5
95.78036	0.3
96.99169	0.4
98.20600	0.8
101.02326	0.9
111.00760	21.2
112.01080	0.5
113.02367	0.4
124.01529	2.0
125.02354	0.6
133.06482	4.4
136.98705	1.7
137.02310	0.8
139.00264	56.0
139.03851	1.1
140.00656	1.3
147.85326	0.4
148.79031	0.4
149.02449	0.5
150.91405	0.4
151.00269	0.5
151.52502	0.4
153.01813	2.2
154.02620	41.9
155.02943	1.7
157.06479	1.5
159.08061	0.4
164.98190	6.3
165.01804	0.6
166.99759	0.9
169.04974	42.1
170.05339	1.6
175.07588	1.0
180.00540	2.3
181.06526	0.6
182.02141	0.4
185.05873	0.5
192.00551	2.5
193.01347	18.2
194.01686	0.7
195.02867	0.5
199.07565	0.5
201.05348	0.6
205.01378	0.5
207.02933	1.6
208.03714	12.3
209.00882	0.5
209.04158	0.6
213.05489	0.5
223.06062	15.6
223.99615	0.7
224.06361	0.6
227.07030	0.6
235.06165	0.7
237.05632	0.5
253.05173	0.5
255.06595	0.7
271.06018	1.1
281.04385	1.7
299.05591	27.6
300.06165	1.9
314.07938	11.9
315.08395	1.2
329.10278	100.0
330.10614	10.0
473.14688	0.5
475.12247	2.0
491.15671	0.8
503.11993	5.2
504.12326	1.0
518.14233	4.1
519.14508	0.8
533.16675	10.8
533.29547	0.6
534.17108	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	531.3172
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
55.01742	1.0
57.03305	2.6
59.01249	15.3
67.01756	1.1
68.99700	1.1
70.99104	1.1
70.99445	0.9
71.01254	19.6
72.99180	5.7
73.02815	1.2
75.00745	14.8
83.01261	1.4
85.02824	22.7
87.00746	9.0
89.02310	5.5
90.32594	0.7
95.01272	5.3
99.00748	10.0
101.02362	1.0
103.00246	2.0
111.00780	1.4
112.01525	1.1
113.02332	32.8
114.02741	0.8
115.00273	0.7
117.01798	2.6
129.01802	1.5
157.01320	1.3
175.02429	4.1
182.97096	0.7
193.03479	1.1
199.83807	0.7
205.07098	2.8
223.08200	1.4
249.06108	8.4
267.07248	6.1
268.07596	0.8
281.24857	74.9
282.25177	7.7
471.28979	0.9
513.30713	2.3
531.31732	100.0
532.32086	16.4
532.40167	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	531.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
57.03316	0.6
58.00457	0.3
59.01248	100.0
60.01579	1.2
61.98702	0.2
69.03303	0.2
69.16425	1.3
69.16835	0.4
71.01252	8.8
72.01616	0.2
72.99185	0.3
73.02819	2.3
77.57109	0.1
83.01266	1.3
84.01534	0.2
85.02820	4.7
87.00763	0.6
89.02296	1.3
95.01257	0.8
97.02848	0.3
99.00745	1.1
101.02317	5.4
102.02709	0.2
109.06458	0.1
111.00722	0.4
113.02328	4.1
113.03075	0.2
114.02695	0.2
119.03448	0.4
125.02339	0.4
129.01813	0.2
143.03404	0.7
159.02890	0.8
161.04460	3.7
177.06757	0.2
179.05550	0.3
185.15428	0.6
205.03615	0.2
211.19551	0.2
329.19675	1.2
347.20779	1.2
441.32764	0.2
453.32269	0.5
471.33246	7.3
472.33588	1.1
489.34262	4.1
489.41235	0.2
490.34631	0.8
541.68115	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	532.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01056	0.5
58.33381	0.5
59.01243	1.0
69.98406	1.0
69.98823	1.4
75.62829	0.4
83.26567	0.5
97.85327	0.4
109.02816	0.9
121.02817	0.5
123.04411	0.7
131.03645	0.9
132.02066	7.4
132.04453	0.8
133.02864	1.2
134.03598	2.6
135.04414	2.0
136.03987	0.6
137.02319	0.5
146.03557	0.6
147.03172	5.0
148.03941	15.5
149.04745	4.7
150.05515	26.3
151.05861	1.2
160.01573	47.3
160.03912	3.7
161.02357	15.1
162.03087	1.7
167.19115	0.5
174.05556	0.6
175.03923	80.5
176.04361	3.8
177.05499	0.6
189.04250	0.9
190.04974	1.0
194.04512	34.4
195.04800	1.6
200.03601	0.5
201.04222	0.7
202.04987	1.3
206.68564	0.4
220.02444	1.5
267.05444	0.5
282.08051	0.9
282.11380	4.6
283.08499	0.9
288.79300	0.4
290.21732	0.4
298.10767	2.8
311.07935	1.6
326.10315	19.6
327.10471	1.0
356.09900	3.7
357.10358	0.6
370.09293	100.0
371.09610	12.8
382.08044	0.5
532.14575	9.1
533.14728	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	533.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.5
62.69326	0.8
71.07493	0.9
71.07817	0.9
71.10676	0.8
76.47050	0.7
78.95770	0.8
85.57091	0.8
89.02280	1.9
91.36810	0.9
93.03333	1.4
101.02345	0.9
107.01273	1.3
109.02806	0.8
113.01043	0.9
113.02338	1.6
115.00249	0.9
132.02110	2.1
135.00793	1.5
135.04411	0.9
151.00288	1.8
160.77083	0.8
163.00284	2.4
174.03088	0.9
185.06102	1.3
187.03981	1.9
199.03877	1.4
211.03938	2.6
213.05482	1.0
227.03433	18.3
228.03886	1.3
229.04971	7.5
239.03505	2.0
241.04974	1.5
253.32465	1.1
255.02965	50.6
256.03531	6.7
257.04437	4.1
283.02640	0.9
284.03244	78.5
285.04010	100.0
286.04413	8.3
353.10278	4.3
400.00143	0.8
489.10373	45.4
490.10757	7.1
525.24493	1.0
533.29510	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	531.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	0.9
62.96267	0.2
62.96637	0.2
71.42140	0.4
78.95772	25.5
95.45918	0.2
96.95885	2.2
96.96829	1.2
98.95463	2.0
98.96304	0.4
99.92469	0.4
108.79399	0.2
115.91949	0.3
116.92767	1.0
121.02839	0.7
147.04382	0.8
150.97932	0.2
152.99495	4.6
153.99797	0.3
163.89639	0.2
171.00507	0.2
178.88333	4.3
179.89153	5.3
180.89919	7.4
181.89980	0.5
194.87787	0.4
194.89897	0.2
196.89415	100.0
197.89435	4.9
204.89922	0.3
205.90752	0.2
212.89099	0.2
234.91106	0.5
235.91843	0.4
236.92604	0.3
252.92111	0.5
431.22205	0.5
455.09402	0.9
457.10971	0.3
495.12579	0.3
513.13684	0.7
527.11682	0.3
531.14557	5.4
532.14722	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	531.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03328	0.6
58.00473	0.9
59.01252	39.8
61.98695	0.3
69.03329	1.1
71.01256	24.6
71.04914	0.3
71.49728	0.3
72.01619	0.5
72.99176	1.5
73.02820	27.8
74.02315	0.3
81.03316	0.4
83.01254	7.2
83.01729	0.5
83.04935	0.4
85.02818	3.7
87.00743	2.2
89.02318	4.1
95.01277	1.0
96.95917	0.6
97.02830	1.2
97.05404	0.3
97.06485	0.6
99.00764	0.9
101.02324	16.6
109.06454	0.3
111.08061	0.5
113.02329	4.9
119.03410	0.9
123.08085	0.4
125.02306	0.6
125.09570	0.8
130.08688	0.5
131.03406	1.1
137.09644	0.4
143.03384	0.9
151.50807	0.3
160.01610	0.3
161.04483	1.4
163.04037	0.3
163.11211	0.8
165.12752	3.3
171.10233	1.5
175.03992	0.3
176.57460	0.3
179.14403	0.4
181.12222	0.6
183.13861	0.6
185.00839	0.3
185.11757	0.3
193.15936	0.7
207.10222	0.3
209.11780	1.3
211.13309	1.7
221.11838	0.6
223.13408	0.5
224.33084	0.3
227.12729	0.6
229.14452	0.9
237.04411	0.5
247.12262	0.3
247.20619	1.8
273.18634	1.0
291.19653	16.7
292.19919	1.5
309.20721	12.0
310.21097	1.3
327.21808	2.7
333.20792	0.4
419.38281	0.3
471.25882	4.5
472.26126	0.7
489.27048	7.2
490.27386	1.0
513.26721	0.5
531.28101	100.0
532.28461	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.317
Annotation	Acinospesigenin B
Peak:m/z	Relative Intensity
64.20279	0.5
66.29939	0.5
71.41718	1.1
80.91357	0.4
93.03307	0.5
96.93748	0.5
96.95888	1.5
100.72404	0.6
102.29407	0.5
106.04158	0.6
117.03339	1.3
121.02834	1.4
132.02049	1.2
133.02852	32.6
134.03639	13.5
135.04419	62.0
136.04761	2.5
137.02344	10.0
139.03912	2.8
149.02357	0.8
150.03123	0.9
152.99377	0.6
161.02353	80.7
162.02681	4.3
178.02660	2.1
179.03418	21.6
180.03813	1.0
243.10039	0.7
285.20779	5.4
286.21216	0.5
429.16891	0.8
429.22781	13.8
430.23178	2.0
432.50723	0.6
447.23868	8.5
448.24237	1.6
462.85660	0.5
529.31683	100.0
530.32025	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.3
57.03336	0.4
58.00469	0.2
59.01248	100.0
60.01582	1.3
61.98713	0.2
70.64745	0.5
71.01250	6.9
72.01613	0.2
72.99184	0.3
73.02814	1.9
74.02766	0.1
75.00746	0.2
78.95789	0.2
83.01278	0.8
85.02819	3.2
85.03293	0.2
87.00742	0.4
89.02306	1.5
94.27765	0.2
95.01259	0.7
95.43190	0.1
97.02845	0.3
99.00754	0.7
101.02321	4.2
111.00800	0.2
113.02331	3.4
116.13330	0.2
119.03419	0.4
119.67111	0.1
120.17746	0.2
126.74979	0.2
129.01805	0.2
143.03426	0.2
145.73810	0.2
152.99588	0.2
157.07535	0.1
159.02965	0.5
161.04454	2.5
189.89529	0.1
231.33916	0.1
242.91890	0.1
251.06038	0.2
253.09274	1.1
263.17444	0.1
283.52264	0.1
291.19675	0.3
292.20035	0.5
293.21198	6.0
294.21616	0.7
305.48264	0.1
307.26462	0.3
337.34732	0.2
450.17770	0.1
451.30618	1.0
469.31638	4.7
469.38141	0.3
470.31644	0.8
487.32672	2.0
488.33936	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	530.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	34.7
60.14098	0.3
61.98702	100.0
69.45384	0.6
69.45782	2.5
71.01256	3.2
73.02811	0.8
77.06893	0.3
77.17223	0.3
78.95785	0.8
80.33228	0.3
83.01265	0.5
85.02824	1.2
89.02333	0.6
101.02337	1.8
111.00755	0.3
113.02290	0.9
119.03419	0.5
122.98418	0.4
129.08774	0.3
152.99437	0.4
161.04509	1.3
235.17052	1.1
236.17419	1.1
253.09178	1.7
275.20193	1.4
276.20618	1.5
293.21042	2.3
294.21539	2.4
305.21191	0.7
381.22714	1.7
423.24020	0.8
471.33334	0.6
534.42651	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	528.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
57.03314	0.3
58.00464	0.2
58.46376	0.1
59.01249	17.4
71.01254	3.8
71.18523	0.2
72.99178	0.2
73.02821	1.5
74.38168	0.1
75.00719	0.1
83.01254	0.5
85.02818	1.7
87.00731	0.3
89.02325	1.4
95.01250	0.3
96.95930	0.1
98.20570	0.3
99.00765	0.4
101.02325	2.1
111.00708	0.1
113.02345	1.0
119.03409	0.3
126.14574	0.1
128.10675	0.3
130.08629	100.0
131.08188	0.2
131.08997	2.9
229.58351	0.2
257.75781	0.1
262.21683	0.3
280.22736	0.4
288.19760	0.2
306.20779	0.3
324.21741	0.4
378.22964	0.1
430.25473	0.2
468.25989	2.5
469.26044	0.4
486.27094	4.4
487.27267	0.6
510.27133	0.3
528.28094	71.3
529.28455	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85143	0.8
59.01246	26.4
61.98712	4.5
66.29986	0.7
66.70552	0.7
68.83421	0.7
71.01252	10.8
71.04881	3.2
71.49896	1.0
73.02814	2.0
78.95781	4.2
83.01299	0.7
85.02824	2.7
87.00742	1.5
89.02319	7.6
91.09293	0.9
95.01229	1.3
96.96841	1.1
101.02315	11.5
113.02318	5.5
119.03387	2.1
122.98415	1.2
143.03368	1.3
152.99513	2.6
157.08629	1.1
161.04448	4.4
177.16360	1.0
179.05554	1.3
198.97958	0.8
231.21135	2.1
235.08246	1.6
235.16988	47.5
236.17322	3.6
253.09270	41.4
254.09554	2.0
275.20151	62.3
276.20496	6.8
290.32788	0.9
293.21222	100.0
294.21573	9.6
305.21222	2.6
434.50278	0.7
530.29132	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
58.88044	0.3
59.01250	11.7
61.98685	0.5
63.58504	0.4
69.92273	1.5
71.01254	7.2
73.02819	1.3
78.79559	0.3
78.95770	1.0
83.01251	1.0
85.02852	1.7
87.00757	1.3
89.02323	6.4
90.52003	0.3
95.01254	0.6
98.20536	0.4
99.00738	0.4
101.02331	7.1
111.08074	0.6
113.02314	3.1
113.09649	0.5
119.03362	2.0
143.03371	0.8
152.99452	1.1
161.04462	3.3
167.10670	0.3
179.05511	1.3
179.14333	0.7
184.68102	0.3
195.13850	8.2
196.14461	0.9
205.12296	0.7
205.15915	0.4
211.13191	0.4
223.13356	5.9
224.13754	0.4
228.13588	0.7
231.21133	0.4
253.09267	31.6
254.09621	1.4
256.13129	1.3
275.20142	5.5
276.20618	0.7
293.21219	100.0
294.21558	9.1
417.19766	0.3
492.22183	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	529.3016
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
51.20818	1.2
53.17282	1.2
55.01757	1.6
57.03320	3.6
59.01254	16.3
70.52791	1.5
70.53125	3.3
71.01254	18.7
71.68949	1.1
72.99178	4.6
73.02831	1.6
75.00742	19.8
77.74108	1.1
78.95773	6.2
81.90356	1.4
85.02818	23.0
87.00301	1.2
87.00755	6.8
89.02334	5.9
95.01266	6.7
98.19868	1.6
99.00753	11.6
103.00253	3.4
111.00763	1.3
113.02328	36.4
115.00226	1.9
117.01852	2.2
120.47958	1.1
129.01852	1.8
147.07162	1.2
152.99536	1.5
157.01306	1.5
175.02388	4.6
205.07135	3.6
223.08154	1.3
224.06862	3.5
238.85928	1.6
249.06067	9.6
255.23273	33.7
267.07306	7.6
271.06354	1.5
279.23285	74.4
280.23645	7.8
298.98660	1.3
320.12268	1.3
480.31058	20.3
511.28998	2.7
529.30164	100.0
530.30475	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.1
57.03316	2.2
59.01245	18.9
63.41391	1.4
64.04694	1.2
68.99692	1.4
70.80320	1.5
70.80672	3.5
71.01251	25.2
72.99177	7.1
73.02804	2.3
75.00741	24.5
85.02820	32.4
87.00750	8.5
89.02324	7.0
90.76304	1.2
95.01276	7.3
99.00757	13.4
103.00252	4.0
113.02332	40.3
115.00240	2.8
117.01819	4.5
129.01820	4.2
150.88210	1.3
151.42894	1.4
175.02383	5.6
205.07100	3.4
249.06184	7.8
267.07291	7.2
277.21710	65.4
278.22198	7.2
314.47867	1.7
380.36588	1.4
457.66006	1.3
501.90027	1.4
509.27829	2.3
527.28595	100.0
528.28918	16.8
537.37061	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49816	0.4
57.03326	1.1
59.01251	8.2
61.98682	1.2
69.03316	0.4
71.01249	4.2
71.49802	0.6
73.02817	0.5
83.04882	0.7
85.02828	1.2
87.00740	0.7
89.02309	2.6
93.03316	0.6
93.51849	0.4
95.04887	0.9
99.00735	0.4
101.02331	4.7
108.61624	0.4
109.06425	0.7
110.04209	0.4
111.08040	8.7
113.02328	1.7
119.03403	1.3
119.04899	0.4
123.44638	0.5
125.02340	0.6
131.91536	0.5
137.09570	0.9
148.70224	0.4
149.09663	1.1
159.13383	0.5
161.04445	1.7
167.10684	1.9
177.12769	2.0
179.10703	1.8
195.13855	4.7
203.12215	0.5
209.11795	0.5
247.20624	1.6
253.09268	15.8
254.09854	0.7
273.18625	1.0
291.19666	100.0
292.19989	11.1
527.28394	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90401	0.1
55.01742	0.3
57.03305	0.2
58.00455	0.3
59.01252	10.0
61.98676	0.2
70.04355	0.1
71.01252	4.1
71.22057	0.1
71.50146	0.2
72.99159	0.3
73.02815	0.9
78.95764	0.2
83.01262	0.6
85.02818	1.0
87.00735	0.5
89.02319	3.5
91.03898	0.2
95.01233	0.3
95.04880	0.2
97.02814	0.2
97.06417	0.2
99.00796	0.3
101.02324	4.2
104.69408	0.1
106.04156	0.2
113.02329	2.4
119.03383	0.9
119.04839	0.1
120.11378	0.1
125.02354	0.1
125.05953	0.5
127.11189	0.2
129.83784	0.1
131.03391	0.2
133.04852	0.1
141.09129	0.2
143.03366	0.3
148.08875	0.7
149.09610	0.1
149.62779	0.1
150.10439	0.6
151.11121	0.3
152.99464	0.3
161.04477	1.6
163.11261	0.7
165.12764	14.5
166.13074	1.0
175.11226	0.4
176.11957	0.3
177.12708	0.4
179.05524	0.7
191.14313	0.5
193.12161	0.2
217.15907	0.3
221.12219	0.1
235.08173	0.3
245.18961	0.1
247.20650	8.3
248.21036	0.8
253.09256	17.6
254.09535	0.9
255.17450	0.2
273.18600	4.6
274.18900	0.6
291.19653	100.0
292.19992	9.9
527.27881	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	527.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01572	1.0
71.00903	1.7
71.01256	18.6
71.49964	1.3
73.02814	4.7
78.95757	2.0
83.01244	1.7
85.02821	9.3
86.29039	1.1
89.02306	2.9
95.01237	1.5
99.00701	1.5
101.02323	12.9
113.02320	9.3
159.02881	1.9
161.04472	16.8
197.11661	1.2
205.03481	1.8
221.97746	1.3
291.19785	5.3
297.52997	1.1
446.11008	1.1
467.30252	11.2
468.30646	2.3
527.27863	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	527.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74379	1.5
54.85618	1.7
55.39555	1.6
59.01247	2.4
60.43634	1.7
61.92596	1.5
71.51054	2.8
83.62381	2.1
89.11552	1.6
125.68076	1.9
148.18181	1.8
161.31183	1.7
184.54005	1.7
311.54172	1.8
381.07437	2.0
397.07315	2.5
407.06113	2.5
411.08487	6.3
421.07159	4.7
422.07593	3.5
426.07214	2.4
441.09891	3.0
455.11249	10.3
465.09705	6.2
466.10474	3.5
483.10727	5.8
485.12042	1.8
509.12570	6.6
510.13153	2.7
527.13483	100.0
528.13849	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59875	1.9
71.51123	2.7
72.05093	2.3
97.54739	2.1
135.22777	2.3
321.95905	2.3
411.08765	6.7
421.07098	13.2
422.07654	5.5
455.11395	7.5
465.09940	7.5
466.10587	4.7
483.10889	4.5
509.12393	13.5
527.13397	100.0
528.13776	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.2
59.01011	1.3
59.01257	17.4
68.99682	1.6
71.01251	17.4
71.17007	2.3
71.17361	1.8
72.99176	7.1
75.00745	18.5
77.07780	1.2
78.95773	2.2
83.28407	1.4
85.02821	20.0
87.00771	6.3
89.02324	2.4
94.97964	1.6
95.01260	5.4
99.00761	10.8
103.00192	2.2
109.95024	1.3
113.02328	26.9
115.00267	2.6
117.01807	4.1
129.01785	1.9
143.90355	1.2
152.99477	4.6
157.01353	1.5
159.68005	1.4
175.02354	5.5
178.75676	1.3
205.07132	2.3
231.05090	2.6
245.64487	1.3
249.06131	23.3
250.06477	1.7
255.84900	1.4
267.07205	3.6
277.21719	86.8
278.22031	9.2
283.91754	1.3
349.01880	1.6
489.80756	1.4
509.27533	3.6
527.28564	100.0
528.28876	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	526.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49198	0.6
59.01238	2.6
61.98702	24.5
63.02255	2.4
65.00183	3.5
69.03324	1.4
69.56726	4.2
70.80972	0.6
71.01253	1.6
78.95786	0.7
83.01264	3.8
85.02819	1.0
87.03490	0.8
90.99723	0.6
93.03326	1.0
96.95901	1.6
98.19865	1.5
107.01272	8.9
109.02872	0.7
111.00746	0.6
121.02843	9.2
124.01537	0.8
125.02330	0.8
133.02835	1.0
135.04424	1.3
149.02370	1.1
151.00275	49.0
152.00694	1.8
161.02371	4.1
163.00296	0.6
169.01352	2.9
175.03946	1.1
178.99785	24.3
179.03326	1.1
180.00099	1.3
185.00829	1.7
193.01352	0.8
197.11752	0.7
203.01895	1.7
210.70724	0.6
229.04976	1.0
245.04337	0.6
255.02983	0.9
273.03986	3.0
300.02704	2.2
301.03534	100.0
302.03915	8.3
339.10526	0.7
365.05115	1.4
365.18121	8.0
463.08826	85.1
464.09189	11.3
527.21173	1.4
531.39734	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	527.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
58.92096	0.5
59.01239	2.3
60.65422	0.5
61.98694	1.1
67.01743	0.6
69.03324	38.3
69.72604	1.0
69.73013	3.1
70.03643	1.1
71.01247	6.4
72.99177	2.1
74.69958	0.5
75.00736	0.7
79.01781	1.6
85.02822	1.9
86.75282	0.5
87.00756	1.7
89.02303	0.7
95.01262	2.1
96.02519	0.5
96.95889	1.9
97.02827	16.8
98.03153	0.7
99.00758	7.6
101.02401	0.7
107.97320	0.5
111.00771	0.8
113.02326	0.8
115.00259	2.5
123.00755	0.6
131.42674	0.6
133.02908	0.6
134.03621	1.1
134.23114	0.5
135.04416	15.5
141.01848	5.5
145.02856	1.0
161.02296	1.2
178.02554	0.6
179.03412	17.5
180.03815	0.6
185.00832	21.0
203.01903	100.0
204.02246	4.0
303.19791	0.8
341.23956	0.6
352.59515	0.6
365.05127	22.3
366.05469	2.4
386.73242	0.6
483.25934	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	524.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74619	0.5
59.01252	2.0
61.98706	5.0
71.01251	1.2
71.48845	1.3
77.40915	0.7
80.04917	0.8
80.88939	0.5
81.21680	0.6
83.04894	0.7
94.06486	2.2
98.97896	0.7
101.02311	0.8
104.04941	0.7
106.06487	0.9
107.03669	4.8
108.04446	0.7
116.95191	0.6
121.05148	0.8
122.06007	33.6
124.07602	1.6
132.04437	6.7
133.04820	0.8
134.06023	5.6
139.02625	1.7
144.04465	0.9
147.03125	1.1
148.03888	1.0
149.04672	0.8
150.05513	2.8
152.07080	69.9
153.07420	3.4
158.02338	1.5
160.01709	0.8
160.03937	4.7
161.02338	1.7
162.05557	2.0
164.03481	1.3
166.04962	0.9
168.97252	0.8
174.05542	1.2
175.03957	0.9
176.03419	3.9
179.98480	0.6
180.06508	1.3
187.39326	0.7
190.05035	7.9
210.07704	0.8
211.12402	1.8
215.11807	2.6
223.08717	4.8
224.07532	0.7
224.09488	4.8
225.10245	0.8
227.08220	0.8
227.35094	0.6
236.09528	0.8
237.10271	1.5
238.11102	1.4
239.11864	20.4
240.04196	3.2
240.10269	2.2
240.12398	0.8
241.09846	1.7
251.08243	1.4
251.11760	3.1
253.06113	5.1
255.07353	1.3
255.11383	1.6
257.09262	0.7
265.09683	2.9
266.07013	0.6
266.10483	0.9
267.07919	3.5
267.11334	2.9
268.08463	4.0
268.11499	0.7
271.10873	1.1
279.07813	1.3
279.11304	0.8
280.08527	3.3
281.09323	1.9
283.05908	1.5
283.10864	44.0
284.11267	4.8
292.08960	0.7
293.09152	1.3
295.10855	12.2
297.12589	1.0
298.08453	4.0
307.10825	2.1
308.11560	2.2
309.08673	1.1
309.12134	1.2
312.11212	2.9
313.10834	6.7
314.10986	1.0
323.10400	1.5
325.12000	0.7
327.09634	0.8
339.09598	0.8
340.10495	0.9
341.11426	2.6
343.11862	1.4
355.13043	0.9
363.16733	1.7
404.19952	0.9
420.19223	2.6
421.19351	0.7
421.63702	0.6
430.17700	2.3
446.17331	0.9
448.18768	45.1
449.19168	7.1
464.18155	0.9
465.12384	0.8
465.19046	0.8
474.16840	1.2
476.16846	3.4
480.21390	1.8
488.17191	0.8
492.17752	100.0
493.18103	16.5
506.19736	1.1
523.34851	0.9
524.13672	0.6
524.20306	14.1
524.27466	1.2
525.20691	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	524.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02064	0.3
59.01249	6.3
60.47853	0.3
61.98701	100.0
70.84783	1.0
71.01252	3.2
73.02827	0.8
78.95772	0.9
83.01283	0.7
85.02833	1.3
85.90977	0.3
86.39050	0.3
89.02312	1.9
95.01287	0.4
96.95909	1.3
101.02303	2.0
105.74505	0.4
113.02369	1.1
119.03469	0.5
129.09125	0.7
141.09187	0.4
141.12827	0.4
142.38811	0.3
151.11223	0.7
155.10710	0.4
161.04364	0.3
185.11777	1.4
196.03856	0.6
197.11809	1.6
209.11746	0.5
214.04872	0.8
225.04344	1.0
233.09741	0.4
287.22253	0.6
288.22690	0.5
309.20880	0.5
327.21741	3.2
361.29495	0.8
448.18890	0.7
492.18167	0.7
523.34601	4.0
524.26318	3.0
524.35474	4.2
551.73303	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	524.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15476	0.7
53.75314	0.8
59.01246	2.7
61.98705	3.0
66.55308	0.8
71.01276	1.6
78.54228	0.7
85.02834	1.1
89.02295	0.8
91.51534	0.7
94.06506	4.1
98.20557	2.7
102.03361	1.1
104.04938	1.0
106.06545	0.9
107.03657	7.3
110.60108	0.7
120.04460	1.0
121.05260	1.2
121.77784	0.8
122.06014	51.0
123.00818	0.9
124.07608	2.6
130.02870	0.8
132.04453	13.0
134.05992	5.7
135.04405	1.3
135.06789	1.3
136.03970	0.9
137.02336	0.9
139.02664	1.7
144.04524	1.7
146.02396	0.8
146.06010	1.4
147.03197	1.3
148.03893	1.0
150.05502	2.6
152.07083	100.0
153.07440	4.0
158.02383	4.2
160.03949	5.7
161.02264	1.1
161.04683	1.0
162.05540	1.7
164.03435	1.6
166.05049	1.3
167.05965	0.7
172.03946	1.4
174.05525	2.4
175.03976	1.0
176.03421	7.7
176.07147	1.7
184.07619	1.0
190.05025	20.2
191.05533	1.3
202.05037	0.9
204.47803	0.8
211.12285	1.6
215.11855	2.7
223.08714	4.7
224.09390	4.2
227.11755	0.8
237.10338	2.3
238.11082	1.6
239.08202	1.1
239.11850	19.5
240.10287	3.5
241.09937	2.8
250.07565	1.0
251.08318	0.9
251.11882	2.9
252.10294	0.8
253.06184	4.7
253.09557	1.1
255.07800	2.7
255.11313	1.5
265.06387	1.0
265.09802	3.1
266.10266	0.7
267.07715	3.1
267.11377	2.3
268.08524	4.3
269.12747	0.8
271.10886	1.1
279.11365	1.1
280.08444	3.0
281.09430	1.0
281.12924	0.9
283.10876	58.9
284.11261	5.4
293.09183	1.1
295.10849	12.4
296.11243	1.3
297.12454	1.2
307.10883	1.1
311.10336	0.8
312.11014	3.9
313.11679	1.3
315.13638	1.5
323.10239	1.5
325.11694	1.0
341.11447	5.7
342.11917	0.9
355.13123	4.1
356.13535	1.3
404.19955	0.9
420.19489	1.7
448.18768	40.8
449.19006	5.5
464.18228	1.7
474.16696	1.2
476.60181	0.8
478.34549	0.8
480.21378	7.2
481.22003	1.8
492.17734	79.3
493.18048	13.9
524.20349	48.3
525.20776	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48730	0.4
55.01757	2.9
57.03328	3.3
58.00463	1.8
59.01252	31.4
60.01598	0.6
61.98704	1.8
66.51807	0.5
69.03336	0.9
69.43787	3.6
71.01252	36.5
72.01587	1.2
72.99173	3.0
73.02818	9.7
74.11297	0.4
75.00749	1.3
78.95752	0.8
79.95606	2.5
80.96398	0.5
83.01259	5.7
85.02821	17.4
86.03156	0.7
87.00751	2.9
87.04372	0.7
89.02319	14.3
95.01256	3.1
95.95106	0.4
96.95888	15.5
97.02800	0.6
97.06435	0.7
98.95482	1.8
99.00752	3.6
101.02319	26.6
103.00255	1.1
111.00756	1.8
113.02335	12.7
114.02690	0.5
119.03398	5.8
122.05975	0.6
123.08059	0.6
124.70068	0.4
125.02335	0.7
126.27021	0.5
129.01790	0.6
131.03421	0.6
134.03601	0.9
135.04420	1.0
141.09148	0.5
141.12788	0.9
143.03400	1.1
149.05969	0.6
151.12321	0.4
152.07104	0.9
152.98518	0.6
153.09134	0.8
159.02887	2.4
161.04466	5.9
163.03885	0.9
164.07205	0.5
169.12250	0.5
171.13818	2.0
175.03847	0.5
179.05487	1.0
187.13303	1.2
193.04965	1.3
201.14880	1.8
205.03531	0.5
217.14375	1.0
234.17819	0.5
241.00186	4.1
282.09720	0.5
283.01346	2.3
315.25311	1.3
327.00107	0.9
359.28036	2.4
360.28540	0.8
361.29550	25.0
362.29913	2.6
437.07529	2.7
447.17639	1.1
479.08847	1.0
492.17831	0.6
523.07928	1.2
523.34839	100.0
524.35150	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	524.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18567	0.7
55.45815	0.7
59.01252	4.4
61.98692	2.0
66.26454	0.7
68.20602	0.7
69.15424	1.7
69.15823	7.1
71.01250	2.1
72.99200	0.9
77.83798	0.8
82.54958	0.7
84.00814	0.9
89.02319	0.8
93.03327	4.6
94.75285	0.7
98.02345	0.8
106.18087	0.8
108.02052	0.9
109.02811	1.4
113.02268	0.9
115.41570	0.7
117.03328	1.0
119.04919	1.2
121.02845	4.9
122.03651	4.8
122.06012	0.8
123.04439	0.9
130.08530	1.0
132.02042	1.6
132.04417	0.9
133.02898	4.2
133.05228	34.9
134.03639	9.2
134.06000	1.7
135.04428	6.1
136.01498	1.4
137.02315	1.5
145.02881	1.6
148.03915	1.4
148.05144	0.8
149.02350	9.5
149.06006	6.9
150.03130	31.1
150.05531	1.3
151.03520	1.5
152.07031	1.9
160.01573	7.4
160.03934	2.3
161.02350	59.5
162.02719	2.6
164.04706	2.3
165.05482	27.9
165.06870	1.5
166.05846	1.2
175.03905	8.4
177.01640	0.9
180.04198	2.7
191.05423	0.7
195.06522	13.3
216.66147	0.7
234.07668	3.7
252.07889	3.2
255.06709	0.7
283.10428	0.8
284.28455	0.8
295.08408	7.9
296.08792	1.0
310.10831	100.0
311.11105	9.3
315.55408	0.8
328.11877	18.9
329.12115	1.1
364.11792	2.3
382.13043	2.4
400.11984	1.5
411.10880	0.8
414.13971	1.2
426.13791	0.9
448.18698	1.4
458.16055	24.0
459.16437	5.0
465.23859	1.1
470.16031	1.5
476.17206	1.7
492.17291	0.9
506.18292	1.7
524.19727	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.3
55.60038	0.5
57.03312	4.0
58.00457	1.8
59.01250	39.3
61.98707	2.4
70.37247	0.5
70.98474	1.3
71.01252	48.7
72.01578	1.0
72.99163	3.4
73.02816	9.4
75.00718	0.8
75.35145	0.5
83.01254	5.6
83.04899	0.5
84.02005	0.5
85.02821	20.3
87.00760	2.5
89.02318	19.0
95.01261	4.0
96.95871	0.5
97.02827	1.1
98.94149	0.5
99.00757	4.5
101.02318	28.6
104.25254	0.4
109.02802	0.6
111.00755	2.8
113.02323	19.1
119.03387	8.0
121.10133	2.7
123.08030	0.6
125.02319	1.5
125.09618	0.6
127.11217	1.1
129.01819	0.7
131.03418	1.3
133.05299	0.5
135.04471	0.5
139.00246	0.6
143.03384	1.6
148.03889	0.7
149.04459	0.7
152.07060	1.0
153.01834	0.8
157.12279	1.1
159.02921	2.6
160.01468	0.8
161.04446	6.8
169.12231	1.0
171.13786	1.1
175.03946	1.5
179.05519	2.0
183.13818	0.8
185.15462	0.5
187.13388	0.8
191.05629	0.8
197.08174	0.6
200.14088	0.6
201.14897	9.1
202.15096	0.8
244.88603	0.4
267.35049	0.5
281.09256	0.5
324.08713	0.9
359.28018	18.8
360.28375	1.8
363.20242	2.6
446.17453	0.9
461.31348	0.6
489.13016	0.6
491.32681	0.9
503.31879	0.7
521.33295	100.0
522.18243	1.1
522.33630	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	522.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74653	0.8
59.01254	6.4
61.98692	1.9
67.45193	0.6
71.01233	1.2
71.50323	1.1
78.95773	10.3
83.04897	0.6
84.04408	1.1
93.22086	0.6
97.06461	1.0
101.02302	0.7
121.02811	1.9
122.03606	2.7
124.01570	1.5
125.01859	0.8
136.05191	1.4
139.03970	3.2
139.04836	0.6
140.01073	3.2
140.04272	1.4
141.04430	1.4
152.99469	1.8
162.02222	1.5
163.02426	1.0
164.01758	2.4
164.08359	1.1
165.12704	1.3
167.14287	4.1
168.04224	1.0
193.05083	0.8
193.15904	2.5
194.05266	0.9
196.03748	2.1
207.17473	3.1
214.04787	6.4
231.17513	2.0
233.15416	1.4
249.18585	31.4
250.18872	3.1
275.16510	19.2
275.19455	1.2
276.16965	1.4
281.18539	0.7
281.21194	4.8
293.17584	65.4
294.17908	5.4
307.19208	3.1
314.51993	0.6
318.09448	1.0
325.20178	100.0
326.20575	11.9
480.32712	0.8
522.16797	1.3
522.24744	23.1
523.25470	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	522.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23643	0.5
59.01261	0.6
60.99168	1.1
71.16641	1.1
74.16730	0.4
78.95773	44.9
88.98675	5.9
96.96839	5.3
116.53687	0.5
139.80064	0.4
150.97949	1.5
152.99487	100.0
153.99838	1.8
171.00526	3.6
181.14249	0.5
281.25058	0.8
286.23599	0.5
408.85364	0.6
433.23682	3.9
435.25134	19.8
436.25497	2.4
514.53284	0.5
522.28522	3.4
523.29480	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	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58673	2.2
58.00464	5.4
59.01250	99.8
61.98701	9.7
69.55722	13.7
71.01254	72.4
72.99172	3.8
73.02826	12.4
79.35619	2.8
80.21732	2.1
83.01245	3.6
85.02823	10.7
87.00751	10.4
89.02317	89.9
96.21354	2.0
98.20592	3.9
99.00755	2.4
101.02323	48.4
108.02055	3.2
113.02316	17.6
119.03380	9.7
125.02346	2.5
125.45144	2.1
131.03394	45.0
148.03934	4.9
149.04457	100.0
149.28687	2.2
151.03922	3.1
160.01576	4.7
161.02374	3.4
161.04330	2.8
175.03961	6.3
179.05605	3.4
191.03903	3.9
191.05545	25.3
293.08865	2.7
298.10876	9.2
331.17746	4.1
333.75580	2.2
390.14371	2.3
411.32489	2.3
463.21756	46.9
464.22067	6.6
479.17914	4.2
523.27600	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	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44454	0.2
53.15434	0.2
55.01760	2.2
57.03323	3.5
58.00474	1.7
59.01249	25.5
60.01581	0.3
61.98705	0.4
69.03331	0.5
71.01253	35.3
71.50121	0.2
71.50509	0.2
72.01600	0.3
72.99175	2.2
73.02817	7.5
75.00753	0.7
78.95759	0.2
83.01259	4.2
83.01718	0.3
83.04878	0.2
84.02045	0.2
85.02821	14.9
85.99976	0.4
86.03181	0.6
87.00748	2.1
87.04388	0.7
89.02320	11.6
95.01263	3.1
96.95896	0.6
97.02867	1.0
97.06493	0.2
98.02358	0.2
99.00756	3.3
99.04492	0.3
101.02324	21.0
111.00761	2.7
111.08047	0.2
113.02331	13.3
114.02636	0.3
118.24595	0.2
119.03387	4.8
122.06002	0.6
123.08072	0.7
125.02366	0.6
127.11177	0.5
129.01845	0.9
131.03404	0.8
134.06018	0.3
135.08008	0.2
139.00224	0.3
141.09122	0.5
143.03386	1.0
143.10617	0.4
146.54594	0.2
149.04498	0.2
151.11113	0.2
152.07068	0.9
153.07442	0.5
153.09103	0.6
159.02898	2.2
161.04463	5.3
166.04843	0.2
169.12305	0.7
171.13823	1.4
179.05605	1.0
187.13347	0.8
201.14911	1.6
217.14362	0.4
282.09506	0.3
315.25455	0.7
343.28641	0.2
346.08377	0.9
359.27939	1.5
361.29581	21.9
362.29913	2.2
447.17618	0.5
448.18573	0.6
465.00568	0.2
492.17554	0.7
523.34851	100.0
524.20264	0.8
524.35168	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.5
57.03325	3.4
57.21761	0.4
58.00456	2.0
59.01250	37.9
60.01588	0.7
61.98692	2.0
69.03324	0.5
71.01251	41.0
71.04884	0.9
71.49483	0.7
72.01607	0.9
72.99177	2.8
73.02814	12.4
74.03133	0.5
75.00741	0.5
78.95779	0.6
79.95602	1.0
80.96387	0.6
83.01247	6.4
83.04874	0.7
84.02046	0.7
85.02823	16.9
87.00745	3.0
87.04388	0.7
89.02315	14.8
95.01264	3.9
96.95885	31.0
96.96870	1.1
97.02850	0.8
97.06509	0.4
99.00753	3.7
101.02320	29.3
102.02650	1.1
103.00238	1.2
106.56353	0.4
107.04938	0.6
108.02071	0.5
111.00784	2.9
113.02325	15.2
113.80278	0.5
119.03396	7.2
121.10110	2.6
122.06026	0.9
125.02320	1.2
129.01833	1.1
131.03383	1.2
131.04953	0.6
133.06464	1.1
137.02284	0.4
137.09595	0.8
138.03148	0.6
141.01796	0.5
141.12756	0.7
143.03413	2.8
149.04579	0.6
152.07050	1.4
152.98471	1.2
153.01799	0.7
153.05443	1.0
157.12259	0.6
159.02913	2.5
161.04465	5.2
163.03885	1.1
167.10675	0.8
171.13797	1.4
178.06294	1.0
179.05476	2.5
180.98026	0.7
187.13281	1.1
191.05644	0.5
193.08562	0.8
199.13319	0.6
201.14911	8.7
202.15349	0.5
241.00214	7.9
242.00450	0.7
265.22134	0.6
281.09109	0.6
283.01242	1.6
297.11386	0.7
299.25909	0.9
315.12357	0.8
329.27356	0.5
339.09924	0.8
341.26947	0.7
359.11642	0.5
359.28000	21.6
360.28357	2.2
363.20316	3.3
373.55743	0.5
435.09592	11.5
436.10361	1.1
446.16992	1.4
461.31012	1.7
477.10703	5.1
479.32361	0.7
491.31985	0.8
503.32401	1.0
519.31427	0.9
521.09595	2.4
521.17749	2.7
521.33282	100.0
522.17902	1.0
522.25861	1.1
522.33673	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	521.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90427	0.8
59.01247	1.2
60.99171	7.7
62.82639	0.8
71.30386	1.8
78.95775	45.8
88.98679	45.0
96.96830	4.3
99.91284	0.7
150.97923	1.2
152.99493	100.0
153.99860	2.9
171.00531	4.7
191.11531	0.7
227.65080	0.7
247.44658	0.7
296.75848	0.7
431.22031	28.7
432.22330	4.4
433.23389	1.0
434.24060	1.0
465.56311	0.8
518.60016	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	521.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07013	0.4
59.01239	2.0
61.98704	0.6
70.55887	0.4
78.95768	1.5
98.19788	0.9
107.04885	0.5
111.00755	0.7
113.09606	0.6
117.03336	1.1
121.02856	1.4
133.02847	25.6
134.03644	10.8
135.04413	47.9
136.04720	1.5
137.02333	6.1
139.03894	2.3
141.09557	0.4
150.03111	0.9
152.99472	0.7
160.01572	0.4
161.02345	92.7
162.02672	4.6
163.03894	0.4
165.01906	0.4
165.47635	0.4
167.31021	0.4
171.10139	0.8
178.02637	1.9
179.03424	20.4
180.03725	0.8
205.36107	0.4
235.06129	0.8
252.69325	0.4
267.19604	0.7
275.20074	0.7
285.20715	6.9
286.21060	0.8
293.21204	5.2
294.33154	0.4
296.23199	1.0
361.24081	1.0
429.22794	35.0
430.23166	5.1
447.23892	16.4
448.24319	1.9
521.27533	100.0
522.27838	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89428	0.7
59.01249	5.1
61.98707	0.7
65.28388	0.9
67.15201	0.9
69.03316	1.7
71.01252	4.5
71.07435	1.2
71.31632	0.8
85.02821	2.4
85.87146	0.8
87.00738	1.3
89.02327	2.3
95.01218	0.8
96.00796	1.0
96.95802	0.8
97.02835	1.4
99.00716	1.0
101.02308	2.6
111.41807	0.9
113.02299	2.3
121.02827	3.5
121.64067	0.8
123.00755	1.9
123.04330	0.9
124.01545	1.1
130.08630	1.5
135.04422	1.4
136.05199	1.2
137.02339	2.1
147.04399	2.8
149.02328	1.8
150.03127	7.0
152.07043	1.3
153.01761	0.9
158.03735	1.8
159.03215	0.8
159.04439	6.1
160.05200	24.4
161.02327	1.2
161.04543	1.3
161.05922	6.9
163.03915	7.0
164.04723	6.9
171.41539	0.9
173.05989	3.7
175.07553	24.9
176.07912	1.4
177.05504	8.4
178.06281	4.8
179.03430	0.9
185.00787	1.5
193.08609	3.6
203.01872	1.2
228.35878	0.8
329.13928	100.0
330.14249	12.5
359.15091	2.4
467.61438	0.8
477.23526	1.1
506.15839	1.0
521.17853	3.0
521.27124	1.0
522.18127	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	521.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74519	0.4
59.01251	6.2
61.98692	1.5
69.03332	2.6
71.01254	5.0
71.12464	0.9
73.02817	0.8
81.03321	0.6
81.84980	0.4
83.01263	0.5
85.02819	3.1
87.00732	0.7
89.02293	2.4
89.47235	0.4
93.03337	0.9
95.01259	1.8
96.95898	0.8
97.02847	1.6
99.00746	0.9
101.02315	2.5
107.01293	0.5
108.02053	52.6
109.02851	20.1
109.03954	0.5
110.03188	0.5
113.02346	1.8
119.01272	1.1
119.03353	0.9
119.04900	0.5
121.02811	2.7
122.06020	1.3
123.00778	2.0
123.04404	1.4
125.02337	1.6
133.02875	0.9
134.03638	0.8
135.00729	0.8
135.04404	1.4
137.02342	0.5
145.02867	0.6
147.00812	1.1
147.04439	1.2
149.02347	15.8
150.03047	1.7
151.00281	1.8
151.04007	0.7
152.01057	73.3
152.07062	1.4
153.01845	33.7
153.05411	1.0
154.02190	1.8
161.02351	1.4
161.04431	0.8
163.03893	2.0
164.04703	12.1
164.64345	0.4
165.05402	0.5
166.02547	0.5
167.03429	0.9
170.66975	0.4
175.00288	8.5
176.01093	6.0
177.01863	0.5
179.05617	0.8
179.07024	2.4
181.12279	0.9
190.02644	19.4
191.03412	10.9
191.49883	0.4
192.03856	1.0
193.01427	0.5
194.02084	0.5
197.04445	1.0
205.04990	13.6
206.05461	1.0
207.10204	2.7
209.04543	1.8
223.06065	9.4
223.08125	0.8
224.06303	0.5
225.11279	6.4
233.04413	0.5
243.12395	0.7
271.02777	0.5
281.09274	0.7
293.09311	0.8
297.06113	4.8
315.07266	3.0
323.07709	1.2
325.09119	0.6
330.07629	0.4
350.58151	0.5
352.61246	0.5
353.08725	10.7
354.09131	1.3
367.10349	1.5
446.17181	1.4
461.20273	4.2
462.20709	0.7
477.23376	1.1
478.19937	1.2
486.22467	0.7
521.12976	100.0
522.13263	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.9
57.03317	1.2
58.00471	3.7
59.01249	100.0
60.01591	1.6
61.98700	1.2
65.00209	0.7
69.03316	0.7
69.60897	0.5
69.69581	2.4
69.70000	1.2
71.01253	70.5
72.01605	0.9
72.99174	5.7
73.02814	2.4
83.01257	3.1
85.02829	10.9
87.00758	5.4
88.06243	0.6
89.02316	88.8
90.02666	1.3
92.42967	0.7
95.01250	4.6
97.02818	1.2
99.00758	0.8
101.02323	41.9
102.02678	0.9
107.01247	1.3
108.02052	8.4
109.02840	18.5
110.03142	0.9
113.02331	30.6
118.64556	0.6
119.03388	40.5
120.03693	1.0
121.02840	2.7
122.03640	1.1
123.00748	0.8
123.04374	1.9
125.02285	2.0
125.77608	0.6
131.03362	5.4
134.03664	0.6
135.04338	0.8
137.02255	0.6
139.00253	0.8
143.03409	7.9
149.02345	2.8
149.04430	3.8
150.03101	0.9
151.00258	3.6
151.03912	0.6
152.01048	9.5
152.07065	1.1
153.01842	25.7
154.02156	0.9
158.03651	0.8
159.04408	3.6
160.05176	6.5
161.04408	7.4
161.05902	2.1
163.00241	1.6
163.03880	0.6
164.04639	2.8
166.08493	0.7
171.04405	1.0
172.05247	4.4
173.06026	3.8
174.03079	0.7
175.00197	1.2
175.03880	0.9
175.07526	3.5
176.01009	1.1
178.99742	1.2
179.05545	17.4
187.07491	1.6
189.04028	0.6
189.05522	6.8
190.02693	3.6
190.06293	9.9
191.03278	1.9
203.07027	1.4
205.04965	2.6
205.08636	7.0
206.99167	1.4
223.05899	1.7
281.08371	1.5
293.08759	0.7
295.09692	0.8
296.10620	4.9
297.05951	1.1
311.09552	0.8
311.12848	4.5
317.03076	3.3
326.11307	0.8
329.13708	2.7
341.13925	31.7
342.14139	3.9
343.62015	0.6
353.08524	1.0
366.38342	0.6
446.17010	1.3
461.07452	1.0
490.16208	0.8
521.12421	10.5
521.19928	4.7
521.32690	1.2
522.12854	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	521.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.1
61.98706	0.5
65.00184	1.3
69.03327	2.4
70.73876	1.1
70.74213	0.9
71.01258	3.4
71.99023	0.5
73.02872	0.5
75.99840	0.5
81.03326	1.0
83.01255	1.0
85.02824	3.2
85.53515	0.5
89.02306	1.2
91.01749	0.7
93.03321	0.9
95.01264	2.1
97.02846	1.6
101.02315	1.7
107.00645	0.5
107.01273	3.2
108.02051	65.6
109.02850	25.4
109.99976	0.9
110.03194	0.5
111.00777	1.3
113.02369	1.2
117.03341	0.8
119.01279	1.6
119.04929	0.5
121.02843	4.0
123.00761	2.9
123.04384	1.7
125.02320	2.8
133.02834	0.9
135.00743	0.9
135.04428	1.8
136.01559	0.9
137.02347	2.6
139.00240	3.0
147.00775	1.4
147.04395	1.6
149.02344	19.2
150.03026	1.8
151.00282	10.0
151.03909	1.5
152.01054	90.1
153.01843	38.8
153.05493	1.6
154.02226	1.5
156.86844	0.4
161.02330	0.7
163.00276	2.1
163.03914	1.7
164.01035	1.0
164.04689	14.1
165.01866	1.3
165.05353	0.6
165.98955	1.0
166.99821	1.5
167.03360	0.9
175.00266	10.9
176.01070	6.5
177.01819	1.6
178.99823	1.4
179.07043	0.8
190.02635	23.2
190.99786	1.1
191.03423	13.2
192.00484	0.5
192.03748	0.5
193.01381	0.8
194.02170	0.5
194.99315	0.9
199.03899	0.6
203.35596	0.5
205.05003	20.1
206.05405	0.9
206.99274	1.7
208.03758	1.1
209.04482	1.9
223.06062	10.8
227.03455	0.9
229.09850	1.4
241.09801	0.7
243.02864	0.6
271.02502	2.0
287.01718	0.7
297.06238	4.5
297.09457	1.0
299.02011	1.5
303.44516	0.6
315.07037	3.1
316.02133	3.6
317.03000	20.6
318.03461	2.2
338.06454	1.2
353.08783	9.3
354.08905	1.0
355.06458	0.7
359.12518	2.7
367.10300	1.1
383.06406	1.4
411.05646	0.6
426.87738	0.5
477.14307	0.6
521.13031	100.0
522.13306	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	520.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.4
63.88575	1.0
69.50346	6.5
75.00703	1.2
89.02339	1.6
96.95903	1.4
108.02087	1.2
109.02859	2.0
123.04359	1.8
132.02052	2.2
133.02855	5.9
134.03624	16.2
135.04440	6.6
148.03941	42.2
148.05057	2.1
149.04698	23.8
149.05972	11.6
150.05466	4.9
151.05780	2.0
153.01828	2.7
160.01540	15.2
161.02344	96.1
162.02736	5.4
163.06302	30.9
164.06743	1.2
175.02592	2.5
175.03928	19.7
190.05089	1.7
194.04474	2.2
202.05084	1.2
231.07579	1.2
234.07610	2.9
267.06607	3.2
282.09061	5.1
325.09558	15.0
326.09549	2.2
340.11847	100.0
341.12125	12.5
358.12930	89.5
358.17532	2.6
359.13303	8.3
378.61237	1.0
520.16010	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	520.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97653	1.2
57.94088	1.3
59.01265	2.8
62.00870	1.1
63.91553	1.2
71.01250	3.8
71.48957	1.3
71.49445	1.3
101.02332	1.4
108.02042	2.3
123.04357	2.5
128.03465	1.6
132.02058	1.9
133.02849	5.2
134.03627	19.6
135.04401	4.3
136.01588	2.1
137.02310	1.3
148.03958	36.4
148.05167	3.6
149.02353	3.0
149.04713	21.5
149.05989	12.4
151.03987	1.7
151.06084	1.6
160.01584	13.6
161.02353	86.3
162.02676	5.9
163.04945	1.5
163.06306	29.8
164.06850	2.1
175.00330	1.7
175.02591	3.2
175.03906	17.7
176.04324	1.6
190.02644	2.6
190.04999	2.5
195.02654	1.2
195.06578	1.2
205.05070	2.8
206.05351	4.0
223.06207	1.4
224.06505	2.8
250.04735	1.1
265.07065	1.9
266.07516	1.7
267.06656	2.5
273.64011	1.5
282.08987	3.6
313.11185	1.4
325.09625	14.3
326.09848	1.8
340.11880	100.0
341.12338	10.3
352.30432	1.3
358.12958	95.3
359.13086	10.3
366.40991	1.2
382.13135	2.1
500.22931	1.4
520.17633	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	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21498	0.2
58.26662	0.2
59.01258	1.7
60.99155	0.3
61.98679	0.3
62.96283	0.2
70.01547	1.1
73.54798	0.2
78.95776	43.0
88.49332	0.2
88.98679	2.4
96.96847	5.8
98.19930	0.3
100.27759	0.2
135.81461	0.2
150.97931	1.6
152.99493	100.0
153.99844	1.7
171.00568	4.1
205.42384	0.2
279.23322	1.7
280.23679	1.7
296.43848	0.2
309.23456	0.3
407.26218	0.2
431.21964	1.0
433.23584	20.0
434.23914	2.8
468.25519	0.2
472.65076	0.2
520.26849	3.7
521.27191	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	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81522	0.2
60.16439	0.1
62.96286	0.3
70.38311	0.4
78.95773	45.0
86.27326	0.1
96.96840	5.8
98.25191	0.2
100.85928	0.1
150.97932	1.7
152.99486	100.0
153.99823	1.5
162.93813	0.1
168.33052	0.2
171.00562	4.1
227.58911	0.2
279.23215	1.1
425.60382	0.2
433.23563	21.6
434.23941	2.6
520.26697	4.0
521.27161	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78927	1.1
57.03325	1.4
59.01250	43.2
61.98701	2.3
69.03314	2.1
71.01260	12.8
71.04907	1.2
71.50452	1.1
72.99168	1.2
73.02818	4.7
78.95794	2.0
83.01231	0.9
85.02802	4.5
87.00774	1.7
89.02322	9.6
90.51056	1.3
93.03341	1.3
96.95887	10.6
96.96825	1.5
101.02321	10.8
109.99978	1.2
113.02334	5.9
114.50157	0.8
115.92031	1.3
116.92738	2.8
119.03412	2.3
119.04932	2.0
128.52618	1.0
130.08702	1.0
139.00206	1.3
151.11290	1.0
153.01869	3.3
154.02490	1.1
161.04428	2.5
167.10666	2.5
169.05026	1.2
179.14317	4.0
195.13832	11.0
205.12285	10.5
223.13344	100.0
224.13695	6.0
235.08159	1.2
253.09251	17.3
271.02396	2.3
299.01904	3.8
300.02652	1.1
314.04376	3.9
315.05011	4.0
315.08676	3.2
331.72360	1.0
357.26450	2.7
433.17325	1.1
459.22302	9.8
459.29456	2.9
470.16452	1.0
472.13876	2.9
487.16342	2.2
490.18628	4.3
502.18808	9.0
519.11548	2.6
519.31793	19.6
520.31934	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	519.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21049	0.2
59.01235	0.3
60.67578	0.2
62.96258	0.3
70.58201	0.2
71.45267	0.5
78.88325	0.2
78.95773	54.8
80.36731	0.2
96.96836	6.9
150.97926	2.0
152.99486	100.0
153.99825	2.0
171.00566	4.1
204.36917	0.2
206.03568	0.3
241.49615	0.3
291.43176	0.2
347.26385	0.3
365.27066	0.7
432.22461	0.7
484.52567	0.3
519.27222	12.1
520.27612	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	519.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	3.1
57.03335	3.7
58.00469	4.0
59.01250	77.0
60.01590	0.8
61.98707	1.0
69.03343	0.8
69.25883	4.6
69.26292	1.1
71.01254	70.3
72.01596	1.1
72.99182	5.4
73.02816	13.6
75.00760	1.1
79.02209	0.5
81.03350	0.6
83.01252	8.2
84.02068	0.9
85.02287	0.8
85.02451	0.3
85.02821	26.2
87.00758	4.7
89.02317	41.0
90.02672	0.9
95.01267	6.0
95.53366	0.5
96.95881	1.4
97.02821	1.2
97.06480	0.6
99.00751	4.7
101.02325	49.1
102.02699	0.9
109.02803	0.7
111.00772	2.8
111.46231	0.5
113.02331	28.2
113.09607	1.1
114.02688	0.7
119.03388	17.9
119.78997	0.6
121.02858	0.8
123.08054	0.6
124.01519	1.0
125.02343	3.8
125.09578	0.9
128.03384	0.7
131.03400	1.9
136.07452	0.5
139.00273	0.8
140.01089	1.8
143.03413	3.8
149.04446	1.4
151.11227	0.9
153.09094	1.6
153.12856	0.8
155.03333	0.9
159.02945	3.3
161.04466	11.4
165.01886	1.4
167.10707	1.9
169.12247	0.8
179.05522	7.0
187.13312	4.0
193.04990	0.7
207.17456	1.0
215.12880	0.6
216.13589	3.4
217.14383	0.6
217.16003	4.7
218.16249	0.9
227.16411	0.7
235.16974	6.1
236.17276	0.8
241.00262	0.7
243.03047	0.7
243.15956	0.6
245.17522	2.6
253.18048	3.6
271.02457	6.9
271.05991	1.0
272.02872	0.8
279.16003	16.3
280.16397	1.5
282.83136	0.6
297.17044	4.7
299.01947	10.6
300.02408	1.6
314.04300	10.4
315.04984	6.0
315.08737	2.7
327.25540	0.6
339.18100	6.1
339.25272	7.8
357.26437	43.5
358.26770	4.5
378.18820	1.6
389.22113	0.9
412.10712	0.6
433.24481	0.8
459.29590	1.2
475.12183	0.7
475.25397	1.4
477.23312	1.3
489.30801	1.2
501.30545	7.2
519.10742	5.7
519.24414	14.4
519.31659	100.0
520.11823	1.3
520.24884	1.9
520.31995	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	519.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59602	1.9
53.92936	2.1
57.19906	1.8
59.01249	100.0
61.98709	8.4
66.66005	2.3
69.03328	3.9
69.26497	21.3
71.01249	17.6
73.02827	8.1
78.95786	3.1
83.01246	3.0
85.02833	8.6
89.02335	4.5
90.17771	2.6
96.95872	11.4
99.00829	2.2
101.02322	10.5
113.02359	10.6
122.06007	9.3
135.04431	3.8
149.00343	2.3
152.07051	11.6
161.04437	2.9
192.03700	2.3
241.15755	2.2
264.08908	6.5
278.10458	2.7
279.11423	6.3
284.13089	2.2
291.11481	3.0
312.12479	3.3
323.10007	2.9
407.50491	2.3
415.26956	8.1
433.27814	5.2
434.28839	2.5
437.14734	11.0
444.19415	4.0
459.29422	4.5
488.18369	20.2
491.22861	7.4
519.22284	20.3
519.31915	13.1
520.20996	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	519.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
59.01248	16.8
61.98706	0.5
63.02269	1.2
65.00181	2.0
69.30827	2.8
69.31249	1.1
71.01250	5.1
73.02807	1.8
79.95620	0.5
81.03310	0.5
83.01228	0.8
85.02837	2.4
89.00221	0.4
89.02314	1.7
93.03349	1.0
95.01279	1.3
95.04868	0.6
96.95883	3.3
97.02825	1.9
98.20519	0.9
99.00738	0.7
99.92458	1.5
101.02312	3.0
107.01263	1.8
108.02042	3.7
109.02847	3.2
111.00757	1.3
113.02316	2.1
115.91972	3.0
116.92746	14.0
117.92691	0.7
119.03401	0.6
121.02835	10.2
123.00791	1.1
124.01550	75.4
125.01846	2.4
130.51257	0.4
131.04929	1.0
134.03651	3.1
136.01537	5.3
138.03105	2.2
139.00337	1.2
139.03906	100.0
140.01042	1.3
140.04256	3.7
143.03465	0.7
147.04387	0.8
148.05203	3.6
149.02327	0.7
149.05991	4.2
149.99501	0.6
150.03099	1.6
151.03899	0.7
155.03418	1.4
159.97502	0.5
160.01576	1.4
161.04475	1.3
163.00262	1.5
163.03825	0.6
165.01823	4.7
175.03922	24.6
176.04222	0.8
177.01846	2.1
178.02650	7.5
179.02789	0.6
184.72255	0.5
186.91765	0.5
193.04985	29.8
194.05356	1.7
205.04997	1.1
210.01639	4.9
225.04329	1.9
241.04866	0.7
271.09808	0.5
299.05655	1.3
300.06268	1.3
314.08115	1.3
315.08746	29.8
316.08890	2.9
357.26505	1.4
417.24530	0.6
440.17667	0.6
457.13873	0.6
459.13165	0.7
477.14166	2.1
478.13898	0.6
519.15143	40.7
519.31586	7.5
520.15369	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	519.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73259	0.2
59.01258	2.0
61.98687	0.2
62.35228	0.2
63.02264	0.6
65.00192	0.5
70.04484	0.7
70.04890	0.4
71.01252	0.6
78.95792	0.2
84.04401	0.5
85.02818	0.2
95.01255	0.5
95.04887	0.3
97.02835	0.6
98.66109	0.2
107.01261	1.5
108.02069	1.0
109.02838	7.9
111.00798	0.3
111.81882	0.2
119.04971	0.3
121.02840	0.3
122.03642	0.3
123.00758	0.3
124.01552	45.0
125.01889	1.3
131.04893	0.7
134.03615	0.2
136.01552	3.5
136.07593	0.4
139.03908	100.0
139.76189	0.2
140.04239	4.2
147.04448	0.8
149.05984	6.3
150.03122	0.9
150.06322	0.2
160.01530	0.3
162.02213	4.1
163.00314	1.0
165.01833	1.8
175.03922	20.5
176.04312	1.3
177.01814	1.5
178.02640	7.6
190.42041	0.2
193.04987	25.1
194.05348	1.4
205.05016	0.3
210.01675	3.4
227.37273	0.2
244.22974	0.2
297.07681	1.3
308.40588	0.2
315.08734	40.8
316.09024	3.9
333.87247	0.2
366.59509	0.2
477.14371	0.3
519.15082	7.7
519.31702	0.7
520.15271	1.3
538.29462	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	519.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
59.01247	27.5
61.98705	2.7
63.02267	1.1
65.00195	1.8
69.03329	0.9
69.48051	6.5
71.01250	11.5
73.02821	3.9
78.95792	1.0
79.95641	0.8
83.01263	1.6
85.02815	6.2
87.85561	1.0
89.00227	0.8
89.02316	5.0
95.01246	2.1
96.95879	5.2
97.02846	2.2
97.76995	0.7
99.00751	1.6
99.92459	4.7
101.02318	8.3
107.01290	2.1
108.02077	2.8
109.02848	3.0
111.00775	1.7
113.02364	4.4
115.91957	8.5
116.91914	1.9
116.92744	36.7
117.92770	1.6
119.03429	2.0
121.02853	9.4
123.00801	1.0
124.01550	73.2
125.01914	2.7
130.08646	0.9
131.03371	0.9
131.04926	1.1
134.03670	2.0
136.01572	4.0
138.03152	2.1
139.03906	100.0
140.01086	1.4
140.04277	3.4
147.04436	1.8
148.05225	2.9
149.06012	4.6
159.97464	1.4
160.01610	1.9
161.04594	2.0
162.02228	0.9
163.00331	1.5
163.03900	0.9
165.01825	4.8
175.03914	24.0
176.04335	1.6
177.01917	2.7
178.02591	6.7
184.02577	1.0
184.91862	0.8
191.03238	1.0
193.04987	29.1
194.05322	1.6
205.05011	1.4
210.01701	4.3
225.04317	4.7
229.17950	0.8
241.00383	0.9
241.04852	0.9
256.07541	1.1
278.15121	1.3
299.05518	0.9
301.03549	1.7
314.08115	2.4
314.69229	0.9
315.05081	2.1
315.08728	32.7
316.09137	3.7
357.26575	3.1
363.20609	1.0
398.30481	1.1
399.23907	1.1
417.24960	1.1
457.20126	0.9
459.13083	0.9
459.29736	2.0
475.12921	1.8
475.25458	1.0
477.14197	2.0
519.15234	44.5
519.31720	18.1
520.15460	6.3
520.32196	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	519.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21236	0.7
57.03318	1.4
59.01251	51.5
60.01588	0.8
61.98697	2.0
69.03312	0.8
71.01252	14.3
72.99193	1.1
73.02824	5.0
75.00742	0.9
78.95792	1.1
79.07581	0.7
83.01269	2.0
85.02840	4.7
87.00739	1.5
89.02313	4.2
95.01273	1.1
96.95889	3.7
97.02834	1.0
98.20541	1.2
98.95438	1.0
99.00756	2.6
99.92462	12.4
100.92501	1.1
100.93227	0.9
101.02316	7.2
103.00298	0.8
108.02068	1.5
111.00766	1.3
113.02324	5.1
114.02678	0.7
115.91962	23.3
116.05013	0.8
116.92744	100.0
117.92771	5.1
119.03419	2.4
121.02866	0.8
125.02372	0.9
128.03423	0.8
130.08623	1.6
142.94400	0.7
143.03412	1.1
152.01076	1.0
158.93887	0.8
159.02904	0.7
161.04472	2.3
184.91833	1.3
259.96088	0.7
261.22205	0.7
285.06073	1.0
315.25372	1.6
339.25085	0.8
345.20758	0.7
357.26508	2.3
404.89386	0.9
415.10657	3.6
433.11609	3.7
457.11612	1.3
459.29636	12.6
475.12756	4.8
477.30640	6.9
483.09738	1.1
501.31210	1.5
519.11700	11.5
519.19849	1.6
519.32269	12.1
520.11810	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	519.1142
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.79219	0.5
57.02224	0.6
57.03310	0.6
57.75814	0.5
59.01250	11.6
61.98695	2.3
63.02271	6.7
63.09097	0.5
65.00188	5.0
68.16074	0.7
69.03312	2.3
71.01244	6.6
73.02808	1.1
83.01259	6.5
85.02837	2.3
87.00725	0.7
89.02315	3.0
93.03355	0.9
95.01247	1.9
96.95879	1.0
97.02792	0.6
98.26694	0.7
99.00763	1.4
101.02328	3.5
107.01266	12.2
113.02322	2.5
117.92743	0.7
119.03418	0.9
125.02389	0.8
128.03500	0.7
130.08621	0.7
133.02882	3.1
135.04443	3.9
145.02876	0.8
145.06026	0.6
148.01547	1.1
149.99532	1.3
151.00272	34.8
152.00652	1.6
152.07063	1.5
153.05428	0.7
160.01573	1.0
161.02342	8.7
161.04457	1.1
163.00288	2.4
163.03989	0.7
164.01054	2.1
165.01799	0.7
169.01357	7.5
175.00322	0.7
175.03955	1.1
179.03391	2.0
180.03810	0.9
185.00786	1.9
187.03902	0.6
192.00519	0.9
193.01367	0.7
193.04939	0.9
196.00041	0.9
199.03906	1.5
200.04710	1.8
202.02533	0.6
205.01381	1.5
205.59955	0.6
215.03357	1.3
215.07083	1.0
216.04272	0.7
226.02545	0.7
227.03435	2.6
228.04251	2.7
243.02917	4.7
243.06795	0.7
244.03725	1.6
255.02911	2.5
256.03735	1.2
259.06091	1.0
271.02460	30.5
271.05542	1.4
272.03082	4.3
279.11401	0.7
283.02493	5.9
284.03113	2.6
285.04025	3.9
287.05627	8.3
297.36081	0.6
299.01962	28.5
299.05219	1.0
300.02670	17.5
300.06137	1.1
301.03387	1.2
313.03558	8.7
314.04269	18.9
315.05093	53.6
316.05515	4.1
327.04993	0.8
357.06149	2.2
367.36801	0.6
389.25543	1.6
396.38614	0.6
444.18939	0.8
488.18091	2.0
493.91373	0.6
504.09113	2.5
518.29828	0.7
519.11438	100.0
519.18091	4.7
519.31732	8.0
520.11810	14.6
520.19806	1.7
537.04681	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	519.1142
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01239	3.3
60.49269	0.7
61.54961	0.6
65.00174	0.7
66.64041	0.7
71.01241	2.2
76.80656	0.7
78.87737	0.6
79.65091	0.6
83.01225	1.1
89.02293	1.0
94.59496	0.7
101.02293	0.8
107.01265	1.5
128.03448	1.0
133.21947	0.7
133.34753	0.7
143.04605	1.7
145.02834	1.6
151.00288	6.2
161.02466	1.1
171.04460	1.4
183.04408	3.0
185.02394	0.9
187.03928	1.8
199.03935	10.7
200.04398	0.9
201.01865	1.6
203.03421	1.7
211.03958	1.2
215.03452	3.3
227.03453	8.1
242.02216	6.4
243.02950	39.5
244.03395	3.3
254.02179	1.1
255.02971	18.5
256.03351	1.7
257.04520	4.7
270.01703	5.5
271.02472	57.0
272.02869	6.5
285.04019	13.1
286.04681	2.9
287.05518	2.2
299.01959	70.2
300.02673	27.5
301.03122	2.0
306.07584	1.1
314.04309	64.1
315.05078	100.0
316.05353	7.6
344.38925	0.8
357.06555	0.9
440.91739	0.8
519.11438	74.6
519.31696	3.0
520.11823	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	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58969	0.5
51.78984	0.5
55.27931	0.5
61.98679	0.6
71.51334	0.8
72.18315	0.5
78.95773	67.0
80.77490	0.5
84.60866	0.5
96.96829	5.7
123.75183	0.6
133.75644	0.5
150.97914	1.7
152.99486	100.0
153.99825	1.3
171.00589	3.0
245.84085	0.6
277.21872	1.5
287.65070	0.6
360.19229	0.6
431.22006	35.6
432.22263	4.3
518.25500	3.3
519.14673	0.6
519.26941	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	518.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47165	0.2
54.54698	0.2
59.01265	0.9
62.96285	0.2
66.70910	0.2
67.95238	0.2
70.52315	0.7
78.95776	43.3
96.96843	6.0
100.24239	0.2
140.44107	0.2
150.97932	1.5
152.99492	100.0
153.99831	1.6
171.00568	4.0
195.93138	0.2
200.15987	0.2
208.95175	0.2
245.51915	0.2
276.03940	0.2
277.21878	1.1
278.22015	1.0
312.51019	0.2
355.34656	0.2
420.37137	0.2
431.22034	21.5
432.22333	2.5
458.01193	0.2
518.25226	3.6
519.26721	0.7
519.94531	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	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88078	0.3
70.52092	1.0
78.95776	46.3
94.23679	0.3
96.96841	5.8
98.20450	0.4
112.93996	0.3
150.97908	1.6
152.99492	100.0
153.99802	1.6
171.00536	3.4
174.71080	0.3
277.21710	0.6
407.09100	0.3
431.22025	20.3
432.22385	2.1
518.25092	3.1
519.26691	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	518.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	9.7
60.01585	0.5
61.98697	1.1
71.01259	1.3
71.50500	0.3
73.02811	0.4
83.01253	0.3
85.02840	0.9
85.40842	0.2
89.02297	0.5
93.03339	0.9
96.95843	0.3
101.02345	1.2
108.02090	0.3
109.02840	0.3
111.00748	0.2
113.02351	0.7
116.92763	1.2
117.03347	21.1
117.92761	0.4
118.03702	0.8
119.04914	1.7
121.02861	1.4
122.03629	2.7
123.04420	1.7
124.01515	0.3
130.08669	0.4
131.03622	0.5
132.04437	0.3
133.02820	0.4
134.03558	0.2
135.04436	0.3
136.05194	0.2
137.02345	0.7
144.04448	0.6
145.02852	100.0
146.03191	5.0
146.06000	2.3
147.06827	0.4
148.07582	4.2
153.05544	0.3
154.02611	0.6
158.06024	0.8
159.03006	0.2
161.02344	0.3
161.04601	0.3
174.05505	1.0
179.05734	0.3
179.22035	0.2
197.22725	0.3
206.08264	0.2
233.35164	0.2
250.08730	0.4
251.09496	0.4
252.10226	0.3
264.10287	0.4
266.11868	0.7
268.09723	1.3
282.11349	1.4
282.26776	0.2
284.12866	1.5
285.13223	0.3
294.11365	0.4
308.12878	0.4
328.11874	17.5
329.12277	1.9
356.30011	0.3
379.80258	0.3
402.16992	0.4
430.16498	2.9
430.21179	0.2
431.16830	0.3
474.15768	3.4
475.16055	0.7
500.17789	0.3
517.30035	0.3
518.14984	0.6
518.29810	0.8
519.31891	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	517.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.2
58.00476	0.1
59.01250	4.0
60.01556	0.1
68.81778	0.1
70.66646	0.3
71.00851	0.2
71.01253	4.3
72.99186	0.1
73.02821	0.9
73.79751	0.1
78.95755	0.2
82.37682	0.1
83.01266	0.6
83.22913	0.1
85.02815	0.9
87.00749	0.5
89.02318	3.0
91.03892	0.2
95.01295	0.2
97.02865	0.1
99.00748	0.3
101.02321	3.7
113.02335	1.4
119.03427	1.0
125.02293	0.2
128.27667	0.1
131.03391	0.2
133.04961	0.4
143.03381	0.3
157.05034	0.2
161.04459	1.4
161.53670	0.1
179.05582	0.4
198.81909	0.1
210.63524	0.2
222.32506	0.1
225.72165	0.1
235.08279	1.1
253.09268	13.9
254.09579	1.0
281.24850	100.0
282.25198	10.9
338.70847	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	518.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99420	0.4
59.01240	0.8
59.75504	0.5
69.42069	3.8
71.01234	0.8
75.40298	0.5
96.95892	0.5
109.02823	3.2
123.04398	0.7
132.02057	1.3
132.04405	0.7
133.02850	25.3
134.03210	1.0
135.04401	1.4
145.02875	1.1
148.03952	7.7
150.05511	22.6
151.05865	0.6
158.05997	0.7
160.01573	1.3
161.02347	100.0
162.02707	6.2
175.03845	1.1
177.01767	0.5
184.03979	0.9
190.02675	0.5
190.04898	0.6
194.04510	28.4
195.04845	1.5
197.48453	0.6
202.05019	22.8
203.05365	1.8
214.27899	0.5
220.02472	1.2
246.04053	32.9
247.04390	2.4
264.28699	0.5
312.08801	1.2
323.07526	0.6
356.07730	55.9
357.08087	6.9
404.78244	0.5
518.13220	2.8
518.26178	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	518.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29551	1.3
59.01240	4.6
65.82315	1.4
69.03327	3.8
69.46827	1.4
70.14375	1.3
71.01244	3.7
71.44913	3.5
72.96770	1.5
80.93974	1.4
81.95194	2.9
85.02841	2.0
94.71179	1.4
96.95873	7.3
98.52974	1.4
98.95463	12.4
98.96095	1.9
109.02836	5.3
112.97059	1.7
117.03352	6.7
119.04909	4.0
121.02866	3.5
123.04408	2.7
128.03485	1.7
130.08655	3.9
132.04414	2.0
133.02849	18.4
134.03635	6.8
135.04395	3.4
137.02382	1.8
145.02852	24.7
147.04259	1.5
148.03944	27.9
149.02332	4.3
149.04427	1.7
149.05923	2.1
150.03058	5.6
150.05515	51.0
158.06012	2.2
158.67813	1.5
160.01630	3.2
160.03954	2.5
161.02345	100.0
162.02678	4.8
162.05540	2.1
164.03410	6.4
165.04166	1.6
165.05467	2.8
166.04996	6.7
174.77307	1.7
175.03929	3.6
176.03452	6.4
178.05034	1.7
181.04893	1.9
185.00897	1.6
192.02919	2.0
193.04955	4.3
194.04500	55.8
195.04803	3.1
202.05016	24.3
203.05487	2.4
207.98286	1.8
208.00218	1.7
210.04041	5.6
218.04523	3.3
229.97418	1.6
239.06927	1.8
246.04050	37.6
247.04303	2.3
266.08173	1.8
267.88843	1.6
268.09790	8.6
284.09180	11.4
294.07751	2.9
312.08765	20.0
315.05219	3.0
356.07620	83.7
357.08011	8.6
372.09344	2.2
406.90460	1.4
474.14133	2.9
518.12402	30.8
518.25647	3.4
519.13220	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	517.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54037	0.2
55.51274	0.2
59.01250	4.0
69.82892	1.2
71.01248	0.6
73.02795	0.3
77.52634	0.2
81.93690	0.2
82.51752	0.2
83.01257	0.3
85.02821	0.3
92.23302	0.2
93.03342	0.3
95.01245	1.8
101.02285	0.4
104.37779	0.2
107.04918	0.2
108.02043	1.7
109.02835	2.4
109.41351	0.2
111.00695	0.2
121.02821	0.6
123.00788	1.6
133.06483	30.8
134.06857	1.3
137.02341	1.2
138.03122	46.9
139.03419	1.4
149.02351	3.7
153.05475	100.0
154.05806	4.5
159.04390	0.3
171.98932	0.2
175.00305	0.2
177.01860	3.5
191.03429	2.3
192.04204	5.6
193.04622	0.4
207.06551	16.4
208.06860	1.1
214.33681	0.2
223.16045	0.2
224.03209	6.7
239.07066	0.3
290.68134	0.2
303.52756	0.2
313.10806	51.0
314.11151	5.0
388.46964	0.2
401.08740	0.3
439.99600	0.2
453.70026	0.2
457.42651	0.2
475.16223	0.2
475.28745	0.3
517.17291	1.3
517.30322	1.0
518.30603	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	517.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.1
62.68992	0.2
64.01430	0.2
71.01260	0.4
73.61438	0.2
84.81634	0.2
92.57890	0.2
93.03327	0.3
95.01259	2.1
108.02057	1.8
109.02842	3.2
121.02832	0.3
123.00794	1.8
124.01503	0.4
133.06483	33.1
134.06805	1.7
137.02359	1.2
138.03125	50.9
139.03427	1.7
143.28183	0.2
149.02350	4.1
153.05475	100.0
154.05803	3.9
177.01843	4.0
186.07317	0.2
191.03439	1.5
192.04198	6.7
192.05975	0.4
193.04492	0.3
207.06555	16.8
208.06898	0.9
209.08058	0.5
224.03217	6.4
225.03525	0.3
281.08136	0.3
313.10806	45.9
314.11160	5.3
363.69211	0.2
438.46255	0.2
447.50229	0.2
451.43796	0.2
457.14923	0.9
458.15573	0.3
475.15610	0.3
517.17090	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	517.1351
Annotation	CHEBI:66280
Peak:m/z	Relative Intensity
58.02852	0.7
59.00955	0.6
59.01248	10.6
71.01247	3.2
71.50315	0.5
72.99161	0.5
73.02807	0.6
74.02333	1.5
82.02863	0.3
83.01257	0.6
85.02816	1.6
86.02338	0.4
89.02310	1.3
89.03848	0.6
89.06915	0.3
89.21938	0.3
93.03322	0.5
95.01236	0.2
96.95874	0.4
99.05499	0.8
101.02316	2.2
101.07088	0.3
105.03371	0.5
107.04897	1.0
109.02846	0.5
109.04007	0.4
111.00794	0.4
113.02341	2.3
115.01786	0.5
116.92705	0.4
117.03359	2.3
119.03405	0.5
119.04922	0.4
121.02824	0.6
123.04444	0.6
123.53881	0.3
125.02351	0.3
126.59447	0.3
127.05009	1.1
128.03426	3.4
132.02065	2.7
133.02849	32.1
134.03642	18.7
135.04413	68.3
136.04756	2.8
137.02336	0.9
139.03975	0.4
143.04512	4.2
143.60106	0.2
145.02829	0.7
145.06108	1.5
147.04453	0.6
148.05173	0.5
149.05998	2.4
151.00200	0.3
151.11969	0.3
153.87740	0.3
160.01598	6.1
161.02345	100.0
162.02690	5.0
167.04610	0.3
174.03175	0.6
175.03915	6.2
176.04649	1.8
177.01880	0.7
177.03291	0.7
177.05467	1.2
178.02594	1.5
179.03409	79.0
180.03755	3.8
189.17572	0.3
191.05515	0.3
191.07076	1.2
193.04985	15.5
194.05363	0.6
202.02675	1.3
203.03401	1.1
207.06638	0.5
210.08771	0.5
217.04988	3.9
218.05624	0.3
221.04512	1.3
233.04375	0.6
235.06049	1.3
251.05592	0.8
254.07835	0.9
272.08710	1.6
281.06644	2.3
288.06549	0.6
306.07626	6.9
322.06958	0.4
323.07687	11.8
324.08087	0.8
337.09262	1.4
338.09830	0.5
341.08789	2.2
355.10339	1.2
517.13501	12.5
517.27454	2.8
518.14001	2.1
518.28491	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	517.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12590	0.4
57.03325	0.5
59.01251	35.6
60.01587	0.4
61.49074	0.5
61.98702	1.4
63.71908	0.4
63.98673	0.4
71.01251	6.3
72.99195	0.8
73.02832	2.1
78.24800	0.4
83.01283	1.4
85.02821	2.5
87.00763	0.6
89.02324	2.9
89.03854	1.1
96.95914	1.6
97.02872	0.4
98.19768	0.9
99.00780	0.6
99.04410	1.1
101.02318	4.5
109.02844	0.7
111.00762	0.5
113.02327	3.4
116.92726	2.7
117.03363	4.3
119.03409	1.5
123.04427	0.5
128.03419	1.0
132.02069	1.8
133.02847	30.2
134.03635	72.0
135.04434	32.3
136.04749	1.7
137.02328	2.3
139.03893	1.1
143.03375	1.3
143.04446	0.5
145.02835	0.8
145.06122	1.0
147.04449	0.6
148.05139	0.7
149.05986	5.4
152.99611	0.7
160.01590	2.4
161.02350	100.0
162.02704	4.5
175.03917	5.0
176.04610	0.4
177.05484	1.3
178.02612	7.3
179.03421	36.6
180.03786	1.3
193.04994	60.5
194.05351	3.2
202.02689	0.5
203.03476	4.0
206.05292	0.6
217.05037	2.3
229.23428	0.5
242.01930	0.5
253.18027	0.9
299.05585	0.5
323.07706	53.5
324.07968	3.4
337.09271	0.6
341.08749	1.8
355.24689	0.5
397.22174	1.3
415.23157	0.8
446.64734	0.4
457.23975	0.7
517.13562	4.6
517.30359	3.2
518.14172	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	517.1349
Annotation	Scutellarein 6,4'-dimethyl ether 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01253	8.0
61.98679	1.1
65.00189	1.8
71.01254	3.0
73.02839	0.7
85.02833	0.8
85.59885	0.5
91.01786	0.6
97.02820	2.5
98.21335	0.5
101.02313	1.4
108.02038	1.0
109.02818	2.3
113.02318	0.6
119.04897	0.8
121.02834	2.1
124.01569	1.2
125.02276	0.7
129.03421	0.9
139.03926	1.7
141.70699	0.6
145.02786	0.6
147.04433	16.4
149.99556	0.6
151.00229	0.8
161.02382	0.6
165.01840	12.0
166.02290	0.7
173.02321	1.4
176.01074	0.6
176.79326	0.6
191.03351	1.3
205.92441	0.5
252.04285	0.7
253.18091	0.8
254.05779	0.8
255.02950	2.5
267.09030	1.1
270.13498	0.7
280.03857	2.9
281.04407	1.6
283.02518	9.0
284.02942	0.8
295.06070	3.2
295.22800	0.7
297.03964	4.5
298.04813	10.5
313.07172	100.0
314.07483	8.5
338.22012	0.7
475.29575	0.9
517.13336	4.7
517.29962	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.9
67.01746	1.6
71.01250	1.5
71.11791	1.5
83.04877	0.6
85.02820	12.1
85.03304	1.0
87.00775	3.1
93.03327	7.9
99.04360	0.6
109.02805	1.0
111.04390	1.9
117.03347	1.8
118.03602	0.6
127.03938	3.2
129.64436	0.5
132.02055	2.3
133.02844	10.0
135.04413	7.5
160.01572	4.0
161.02351	53.0
162.02689	2.5
171.02855	0.9
173.04439	2.3
179.03424	4.1
183.52571	0.6
191.05540	100.0
192.05893	4.7
323.07700	37.3
324.08032	2.3
341.08521	1.7
353.08688	2.2
515.14008	20.9
515.21796	1.0
516.14386	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	515.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.3
59.01244	1.1
67.01743	0.5
70.98047	0.5
71.01247	0.9
73.02843	0.2
79.95615	0.3
81.03304	0.3
83.04882	0.2
85.02821	10.4
87.00748	2.1
93.03330	4.2
96.95878	0.7
99.04395	0.5
103.01755	0.2
109.02829	0.9
110.14243	0.2
111.04390	1.1
113.02305	0.2
117.03356	1.1
123.04407	0.3
127.03897	2.3
132.02046	1.6
133.02841	7.3
134.03281	0.2
135.04411	2.8
145.02831	0.2
151.43521	0.2
158.46269	0.2
160.01566	3.4
161.02347	53.5
162.02672	2.0
171.02873	0.5
173.04453	1.6
175.03877	0.5
179.03415	3.8
181.38068	0.2
191.05534	100.0
192.05858	3.3
203.01843	0.3
323.07700	36.5
324.08032	3.2
326.01172	0.2
341.08844	1.5
353.08698	3.0
395.09717	0.4
414.15991	0.2
498.40421	0.3
506.72195	0.3
515.14001	28.0
516.14337	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81142	0.8
54.05663	0.8
59.01236	1.2
67.01746	1.9
69.81334	2.0
69.81739	3.7
78.99090	1.0
81.03372	1.0
85.02821	7.0
87.00740	2.8
87.46902	0.9
93.03331	14.0
95.64534	0.9
109.81927	0.9
111.04402	1.5
127.03893	1.3
133.02814	1.1
135.04422	7.4
161.02339	3.6
173.04442	3.7
179.03453	7.5
191.05542	100.0
192.05821	3.1
218.57852	1.1
268.93298	0.9
283.28806	1.0
353.08749	16.2
354.09103	1.4
423.98801	1.2
472.71579	1.0
515.14075	15.5
516.14398	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	515.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63662	0.5
53.82957	0.5
59.01251	0.5
59.13256	0.6
60.42243	0.5
61.98705	0.9
62.95295	0.5
70.64613	0.6
70.64939	1.3
78.95771	53.9
96.96834	6.3
150.65598	0.5
150.97929	2.5
152.99490	100.0
153.99861	2.5
171.00594	4.2
174.19124	0.5
235.22440	0.5
248.31688	0.5
248.34210	0.5
279.23297	3.2
433.23575	22.2
434.23947	3.5
515.24182	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	515.2859
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
57.03308	2.6
58.15609	0.8
59.01250	39.5
61.98688	1.9
69.03306	1.4
69.22419	0.8
69.22752	8.7
71.01255	13.9
71.04858	1.6
72.99182	1.8
73.02813	6.3
83.01241	2.9
85.02821	6.5
85.99969	1.0
87.00750	4.8
87.04386	4.8
89.02316	3.6
95.01270	1.3
96.95872	1.1
99.00751	2.0
101.02319	10.2
111.00749	3.3
113.02315	3.7
119.03357	1.5
125.02323	1.3
134.84390	0.8
159.06531	0.8
214.15849	0.8
223.16988	17.1
224.17307	1.7
229.14409	9.0
235.17026	2.0
275.20227	1.8
293.21185	7.4
311.22290	20.6
312.22748	1.6
418.80954	0.9
455.26450	14.5
456.26859	1.4
473.27545	26.2
474.27814	3.2
497.27548	1.2
515.28583	100.0
516.28998	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
57.03315	0.2
58.00447	0.2
59.01249	5.0
67.22153	0.1
71.01254	4.1
71.42629	0.1
72.01575	0.1
72.14993	0.1
72.99172	0.3
73.02816	0.8
75.00755	0.1
78.95779	0.5
80.16219	0.1
83.01262	0.4
85.02832	0.9
87.00758	0.5
89.02318	3.3
91.03881	0.2
95.01253	0.4
97.02843	0.2
97.88744	0.1
99.00743	0.3
101.02325	3.9
103.03865	0.1
113.02328	1.8
115.03900	0.2
115.90742	0.1
119.03381	1.0
125.02322	0.2
131.03358	0.1
133.04918	0.3
136.31544	0.1
143.03363	0.4
152.99498	1.0
161.04460	1.5
171.00589	0.1
179.05508	0.4
205.00549	0.1
206.32817	0.1
235.08212	1.0
253.09265	14.7
254.09633	0.6
261.22192	0.3
279.23285	100.0
280.23633	10.1
357.09866	0.1
433.23590	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	516.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.1
59.03404	0.1
61.98684	0.2
62.42346	0.2
69.03305	0.4
71.01262	0.4
71.49557	0.2
85.20144	0.2
89.02312	0.2
96.95892	0.3
100.53269	0.2
101.02336	0.2
107.04896	0.3
108.01997	0.2
109.02823	0.3
117.03320	0.4
119.04913	1.7
123.04414	0.2
124.01543	0.5
128.03438	0.3
130.08644	0.6
132.02127	0.2
132.05688	0.8
133.02846	0.4
133.05219	1.3
134.03627	2.6
135.04413	11.4
136.03920	0.5
136.04771	0.4
136.07536	0.3
137.02338	0.2
145.02859	0.9
147.04417	2.0
148.05196	37.4
149.05626	1.7
150.01978	0.3
150.03120	0.8
150.05507	0.6
156.96552	0.2
159.04379	0.4
160.01575	0.7
160.03943	0.3
161.02388	0.8
162.05487	1.0
175.03865	0.9
176.03438	3.9
177.01945	0.2
177.04243	1.7
178.05014	24.4
179.03490	0.3
179.05382	1.3
190.05020	9.3
191.05487	0.9
192.06525	0.2
193.01440	0.3
193.05009	0.5
194.04506	0.4
206.04495	0.4
233.04468	0.2
239.07071	0.2
250.91974	0.2
253.08652	1.2
270.11310	0.3
296.09357	0.3
297.10056	9.8
298.10300	1.0
312.12393	100.0
313.12732	9.2
431.52707	0.2
447.61603	0.3
460.52209	0.2
516.18304	0.4
516.24908	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	514.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
61.98702	100.0
69.18086	1.2
98.20612	0.3
116.49080	0.1
149.52426	0.1
175.03871	0.2
211.16136	0.1
273.94855	0.1
280.34512	0.1
454.33945	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	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60807	0.4
53.47663	0.5
54.02342	0.4
59.01238	1.3
67.01755	2.6
69.03326	0.7
70.09981	2.3
71.01250	1.7
81.03313	0.8
83.04883	0.6
85.02821	6.2
87.00754	3.8
90.68285	0.5
93.03330	16.9
96.95873	2.1
98.19916	0.6
99.92464	0.8
109.02879	0.4
111.04417	2.6
115.91990	0.8
116.92741	0.7
127.03870	1.9
133.02815	2.2
135.04416	18.0
143.11925	0.5
155.03360	1.0
161.02335	10.2
162.02454	0.5
173.04512	4.1
175.03897	0.8
179.01854	0.8
179.03401	13.0
183.85857	0.5
191.05533	100.0
192.05896	3.9
194.04507	0.5
206.32826	0.6
249.80228	0.6
305.47427	0.5
323.07697	2.8
353.04666	0.9
353.08795	12.7
354.09183	1.4
395.09637	2.4
417.15915	0.5
515.14044	55.5
516.14349	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	513.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93045	0.2
58.51026	0.2
58.77112	0.2
59.01245	1.2
61.98682	0.4
70.89125	0.4
71.01260	0.3
75.26666	0.2
79.95602	2.4
80.96358	0.2
89.02325	0.3
95.01263	0.8
96.87598	0.2
96.95889	100.0
97.95811	0.4
101.02308	0.3
110.97469	0.9
113.02374	0.3
114.29723	0.2
123.00755	0.7
136.98788	0.2
138.03117	0.3
139.00256	1.1
139.03915	0.4
142.24519	0.2
145.02953	0.2
152.01163	0.2
153.01852	0.3
154.02705	0.2
155.10712	0.2
166.02516	0.2
175.03987	0.4
176.01009	0.2
177.01875	0.3
177.05588	0.2
178.02623	0.6
181.04942	0.4
191.03470	0.2
192.04240	0.4
193.05014	1.0
203.03354	0.4
207.06657	0.4
218.05869	0.2
224.44930	0.2
232.66965	0.2
237.07837	0.2
343.08182	0.3
355.08261	0.3
358.10535	1.2
370.10364	0.2
373.08954	0.3
373.12952	2.5
374.13150	0.4
385.09061	0.3
400.12253	0.2
403.09793	0.8
405.08600	0.2
418.12619	1.4
420.03812	0.2
433.15018	5.8
434.15228	0.8
513.10687	14.4
514.10931	2.0
514.17578	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	513.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95467	0.6
55.01754	2.9
59.01249	13.7
61.98703	3.1
63.85081	0.7
64.04700	0.6
67.01763	0.6
69.03323	100.0
70.03665	2.8
71.01254	4.2
72.99178	2.2
73.02825	0.9
78.95780	1.5
79.01773	1.8
79.16125	0.6
79.95617	0.9
83.01254	1.0
85.02816	2.7
86.43692	0.6
89.02341	0.7
95.01256	3.3
96.95873	4.6
97.02823	23.3
98.03170	0.6
99.00755	25.9
101.02283	1.5
102.05447	1.0
103.17473	0.6
108.02070	3.9
109.02847	1.5
111.00769	2.4
112.34106	0.7
113.02291	2.1
119.03313	0.7
123.00763	1.1
123.38540	0.6
125.02319	1.0
128.03432	2.2
141.01833	7.6
152.01053	9.2
153.01593	0.7
185.00827	91.6
186.01134	3.7
211.13310	1.1
225.04359	1.7
229.14322	0.9
249.05403	0.8
327.07227	3.6
327.21814	3.0
430.40045	0.7
464.36282	0.7
513.23059	9.4
514.23486	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	513.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
59.01249	100.0
60.01584	0.9
61.98709	1.1
71.01241	4.9
71.49553	0.8
73.02811	3.4
78.95788	0.9
83.01257	1.2
83.04886	0.6
85.02836	1.6
89.02324	1.0
96.95901	2.4
99.00716	0.7
100.87077	0.5
101.02332	4.2
105.39465	0.7
113.02334	1.9
119.03378	0.9
154.03839	0.6
161.04410	1.0
165.86041	0.5
174.91330	0.6
191.05421	0.6
249.18465	1.1
278.75314	0.7
281.37659	0.6
291.19724	0.8
411.23965	1.5
513.27081	5.3
514.30298	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	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01508	0.1
55.01752	0.5
57.03300	0.2
58.00459	0.3
59.01248	8.7
60.01601	0.1
69.03326	0.1
71.01250	6.5
72.01562	0.1
72.99165	0.3
73.02444	0.1
73.02816	1.1
78.19219	0.1
78.95773	1.8
83.01259	0.8
83.04872	0.2
85.02821	1.4
87.00746	0.7
89.02316	4.2
91.03889	0.2
95.01281	0.5
96.96814	0.3
97.02808	0.3
98.20615	0.3
99.00740	0.3
101.02320	5.8
102.02643	0.1
103.03854	0.1
108.27608	0.1
113.02329	2.6
114.02600	0.1
115.03894	0.1
119.03387	1.3
125.02337	0.3
127.07530	0.3
131.03398	0.2
133.04941	0.3
143.03423	0.5
150.97871	0.1
152.99483	3.6
157.04996	0.2
161.04460	2.0
171.00562	0.2
179.05531	0.7
233.22751	0.2
235.08180	1.1
253.09254	18.6
254.09641	1.0
259.20584	0.4
275.20129	0.4
277.21707	100.0
278.22046	11.1
309.17215	0.1
358.24017	0.1
431.22037	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10223	0.2
51.42549	0.2
55.01747	0.4
59.00954	0.3
59.01245	5.4
61.74236	0.2
62.71661	0.2
69.24026	1.9
69.24370	0.3
71.01250	3.8
72.99191	0.3
73.02815	1.0
75.87390	0.2
78.95779	0.2
83.01243	0.6
83.04893	0.2
85.02822	1.1
87.00742	0.5
89.02313	3.3
91.03841	0.2
95.01265	0.4
98.20622	0.4
101.02318	4.2
102.02673	0.2
110.82837	0.2
113.02333	2.1
119.03387	0.9
131.03363	0.2
133.04968	0.3
143.03378	0.5
152.99484	0.6
161.04475	1.6
179.05505	0.6
220.53203	0.2
235.08168	1.1
253.09248	15.8
254.09555	1.0
259.20627	0.4
277.21701	100.0
278.22052	11.8
389.18216	0.2
431.22476	0.3
472.10455	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	508.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30132	0.8
52.38736	0.8
58.44520	0.7
59.01234	3.7
61.98701	1.6
69.61325	5.7
71.01214	1.2
78.38635	0.8
78.95779	12.2
81.39394	0.7
88.12553	0.8
98.19859	1.0
100.38452	0.8
113.09608	1.1
115.07533	1.2
115.98672	0.8
121.99933	1.1
136.07573	1.2
138.03061	1.0
140.01088	2.9
152.99481	2.7
153.05495	1.8
154.05853	1.4
167.14307	3.6
171.10158	1.3
183.13824	1.9
195.13850	10.9
196.03696	2.1
211.13272	1.3
214.04820	5.6
215.24350	0.8
225.11201	1.2
249.22220	1.8
265.21539	1.0
293.21231	10.4
294.21332	1.3
299.16821	0.9
303.11700	0.8
311.22266	100.0
312.22589	9.4
508.20804	2.0
508.26813	29.8
509.20947	1.0
509.27155	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	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73388	0.3
65.27708	0.3
65.50922	0.2
70.52292	0.9
74.29735	0.3
78.95780	6.7
91.31238	0.3
96.96824	0.6
142.95732	0.3
152.99489	13.7
171.00586	1.0
196.89398	1.1
210.55728	0.2
227.03229	2.8
245.04306	1.5
281.24854	100.0
282.25192	10.6
312.28296	0.3
324.16101	0.3
492.31497	0.4
509.28827	24.6
510.28754	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	509.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.93425	0.3
60.01597	0.9
61.98696	0.5
65.76996	0.3
71.01249	4.7
71.49506	0.5
73.02834	1.6
78.95795	1.0
83.01266	0.7
85.02808	1.5
87.00777	0.4
89.02316	2.4
95.01273	0.5
99.99141	0.3
101.02315	2.3
113.02356	3.7
119.03381	0.7
131.13446	0.3
131.72253	0.3
143.03378	0.5
152.99471	1.7
161.04504	0.5
179.05600	0.4
331.19366	0.4
343.27679	0.3
367.85068	0.4
441.71896	0.3
538.25397	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	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07341	0.4
52.58363	0.3
59.01248	3.0
61.98703	100.0
71.01266	1.2
71.50526	0.7
73.02838	0.4
89.02318	0.5
96.95882	0.9
101.02333	0.5
131.03354	0.5
135.04420	0.5
175.11479	0.5
449.22650	0.4
450.23096	1.8
511.18256	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	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25285	0.4
59.01256	4.1
60.01594	0.5
61.98705	100.0
62.10269	0.4
64.79458	0.4
69.03365	0.5
69.70492	0.4
71.01260	1.7
71.50669	0.8
89.02350	1.3
90.02729	0.4
92.57590	0.4
96.95915	1.6
101.02329	0.7
103.35028	0.4
113.02385	0.5
131.03435	0.6
149.04506	1.0
161.02370	0.6
172.15804	0.4
178.31592	0.4
208.24487	0.5
209.11987	0.5
418.42679	0.5
420.32599	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	511.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.0
61.98687	0.4
62.73560	0.2
70.97903	0.6
71.01254	0.6
72.99170	0.3
78.95766	0.4
87.00753	0.4
96.95881	1.0
96.96842	0.5
98.95466	0.3
99.00727	0.3
99.92454	14.1
100.92459	0.9
100.93256	1.3
103.00224	0.5
108.02012	0.2
114.94775	0.2
115.91959	24.3
116.92738	100.0
117.92755	5.7
117.93577	0.4
125.02341	0.4
140.92763	0.6
141.93547	0.6
142.94341	1.9
148.05183	1.7
148.66124	0.2
149.05487	0.3
153.93359	0.2
156.92226	0.5
158.93787	0.6
163.07591	1.4
164.07973	0.3
165.08150	0.2
173.92406	0.2
174.93309	0.8
184.91725	1.1
184.95413	0.4
186.93326	0.4
196.95531	0.3
200.48772	0.2
224.94954	0.2
225.95865	0.2
231.98415	0.9
232.99049	0.2
242.95952	0.8
243.96625	0.4
278.99695	0.6
284.97083	0.6
285.97748	0.3
286.98218	0.2
389.03342	0.5
407.04370	2.8
408.04544	0.4
425.05417	3.0
426.05682	0.5
437.05215	0.5
449.05542	1.0
467.06494	2.6
468.06693	0.5
475.03314	1.7
493.04614	0.3
502.04623	0.3
511.05487	6.5
511.25980	0.3
512.05743	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	512.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50703	0.6
52.55178	0.6
59.01254	7.8
69.16499	7.2
69.35485	0.6
70.33544	0.7
71.01254	2.5
72.04416	5.5
73.02813	1.0
78.95764	0.6
79.20783	0.7
79.95606	10.9
80.96377	3.7
83.01273	0.8
85.02821	2.1
85.99922	0.7
89.02297	1.1
95.95103	1.3
96.95888	100.0
97.95831	0.8
101.02351	2.1
109.59445	0.7
110.97472	2.9
114.05485	0.8
138.96960	1.1
143.03366	0.9
150.96925	0.8
152.98511	1.4
164.98547	5.0
180.98027	2.2
241.00264	3.9
256.99854	1.0
324.21744	0.7
353.12738	2.6
371.13788	93.1
372.14166	8.1
391.96329	0.7
413.14893	2.2
435.23413	0.7
439.12805	16.6
440.13116	1.7
452.16077	4.8
457.14066	2.3
470.17239	0.9
512.18115	22.4
513.18365	2.2
513.26404	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	506.325
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46316	0.0
78.95775	5.6
96.96832	0.1
97.73780	0.0
104.70840	0.0
152.98334	0.1
152.99489	0.8
155.58910	0.0
168.04222	1.5
171.00487	0.1
224.06909	1.0
225.07140	0.0
227.93678	0.0
229.10300	0.0
229.55383	0.0
242.07959	2.5
243.08247	0.1
279.23328	1.0
281.24844	100.0
282.25183	10.2
329.77859	0.0
436.35333	0.0
506.32492	6.6
507.26904	0.3
507.33304	1.0
519.64502	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94630	0.1
54.39433	0.1
61.98696	0.2
62.96274	0.1
66.36469	0.1
71.01257	0.1
71.51564	0.1
78.95773	21.6
83.43416	0.1
83.94869	0.1
92.30075	0.1
96.96843	0.4
104.97392	0.2
119.79667	0.1
122.98419	0.2
134.98427	0.2
150.97922	0.1
152.99487	3.5
168.04218	3.0
168.85995	0.1
169.04471	0.1
171.00513	0.1
188.09145	0.1
194.05688	0.2
213.09419	0.1
224.06883	9.0
225.07179	0.3
227.03085	0.1
242.07954	2.2
279.23300	3.2
281.24838	100.0
282.25180	10.1
351.19727	0.1
351.28412	0.1
417.24179	0.1
506.32477	22.2
507.26895	1.1
507.32898	3.3
508.80026	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10946	0.4
59.01260	0.6
70.37336	1.5
78.95782	7.0
92.25638	0.3
96.96827	0.6
97.75697	0.3
122.36412	0.4
136.15253	0.3
152.99492	14.0
171.00533	1.0
227.03159	2.4
245.04276	1.6
256.17978	0.4
261.22263	0.4
279.23291	100.0
280.23624	10.4
507.27246	22.2
508.27536	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	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59965	0.3
71.21267	0.7
78.95770	7.1
94.79063	0.2
96.96828	0.8
98.15216	0.3
152.99489	13.3
171.00534	1.6
194.98343	0.3
219.17798	0.4
227.03186	2.7
245.04196	1.5
261.22147	0.6
279.23273	100.0
280.23636	9.4
306.74866	0.3
507.27255	27.0
508.27606	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98841	0.6
54.58897	0.6
70.41575	1.3
70.41969	1.4
78.95775	51.3
92.35559	0.6
96.95887	1.1
96.96849	4.4
98.19934	0.7
109.05162	0.7
130.51456	0.7
152.99493	55.9
153.99799	0.7
171.00563	19.6
227.03236	2.5
245.04294	100.0
246.04680	3.4
279.23291	56.5
280.23608	6.6
283.26459	2.2
507.27240	32.4
508.27484	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	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.9
57.03320	4.2
58.00465	1.0
59.01252	22.9
60.01575	0.4
61.98698	1.1
68.99683	0.4
69.03323	0.7
69.18250	1.7
69.18678	1.5
71.01254	50.8
72.01602	1.1
72.23033	0.3
72.99185	2.4
73.02817	14.4
75.00752	0.9
78.95781	0.6
83.01256	6.2
84.02058	0.4
84.48097	0.3
85.02822	23.4
85.99945	0.4
86.03176	0.8
86.42021	0.3
87.00735	1.9
89.02314	9.3
95.01263	4.7
97.02834	1.3
99.00762	6.0
101.02322	31.1
102.02654	0.8
111.00775	3.1
113.02332	19.7
114.02644	0.7
119.03396	3.5
125.02349	1.2
129.01820	0.9
131.03381	0.5
141.01826	0.4
143.03403	1.6
159.02904	4.3
161.04466	17.3
171.13847	0.3
179.05554	0.8
205.03464	1.1
210.35986	0.4
211.13341	1.1
231.13747	0.3
299.25955	1.2
335.85291	0.3
345.30121	8.8
346.30551	0.6
407.83368	0.4
427.25839	0.5
435.48386	0.3
507.35367	100.0
508.35709	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	505.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02825	0.6
55.01755	3.9
57.03323	3.3
57.57110	0.7
58.00461	0.9
59.01252	25.0
61.98700	0.8
68.99678	0.9
71.01252	45.9
71.04877	0.7
71.49667	0.6
72.99186	3.1
73.02821	14.2
74.20092	0.7
78.05853	0.5
78.95770	1.1
83.01263	9.0
84.02004	0.7
85.02824	26.1
85.99969	1.8
87.00753	2.4
89.02319	7.5
95.01263	4.0
96.95886	2.6
97.02824	0.9
99.00748	7.7
101.02322	32.8
102.02682	0.8
111.00754	6.5
113.02331	17.3
118.37671	0.7
119.03396	2.6
121.10136	3.0
125.02344	1.3
129.01840	1.2
143.03384	1.7
151.00281	0.7
155.07295	0.7
159.02902	3.8
161.04468	10.6
169.01384	0.6
175.84286	0.6
185.15404	5.0
223.05025	0.6
269.55283	0.7
291.19623	0.8
343.28510	8.3
347.20807	4.8
475.32849	1.9
487.32742	1.3
505.33853	100.0
506.34106	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	505.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24512	0.5
55.01763	3.8
57.03328	4.3
58.00467	2.0
59.01252	42.3
59.75579	0.5
60.01593	0.9
61.98697	1.6
69.03311	0.6
71.01254	59.0
71.49460	0.5
71.49920	0.6
72.01597	1.2
72.99167	3.8
73.02821	15.7
75.00755	1.4
78.95789	1.2
83.01260	8.4
84.02044	0.5
85.02824	27.6
85.47208	0.4
85.71687	0.4
85.99967	0.7
87.00754	3.0
89.02318	13.7
95.01254	5.9
95.51152	0.4
96.95858	0.6
97.02833	2.4
99.00766	6.7
101.02322	36.3
102.02688	0.8
109.96988	0.4
111.00755	5.1
113.02333	25.5
114.02634	0.8
119.03403	5.2
121.02895	0.9
121.10133	2.7
125.02351	1.5
129.01859	1.1
131.03395	1.1
135.04393	5.8
141.01854	0.6
143.03398	3.3
151.00299	0.6
159.02916	4.4
161.04465	15.6
165.01907	2.1
171.13763	0.6
179.05595	1.9
185.15463	2.2
205.03479	1.4
239.20294	0.5
300.02786	0.7
301.03690	1.8
301.07281	4.6
325.27661	1.0
343.28540	5.0
344.28928	1.2
347.20786	2.7
436.89218	0.5
461.18680	0.7
475.32932	1.3
487.33154	0.7
501.16071	0.7
503.33206	0.6
505.34064	100.0
506.34335	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31253	0.4
55.01726	0.9
57.03276	1.1
58.00425	0.6
59.01191	31.0
59.01519	2.3
60.01532	0.5
66.22857	0.4
66.42026	0.4
71.01253	16.6
71.49508	0.4
72.05268	0.5
72.99117	1.0
73.02821	5.3
78.95734	1.0
79.65790	0.5
83.01244	2.8
85.02824	8.0
85.55363	0.4
87.00697	1.2
89.02322	6.4
95.01204	1.5
95.61952	0.4
99.00697	1.6
101.02324	15.7
111.00706	1.8
113.02329	7.6
119.03400	2.7
125.02274	0.7
143.03374	0.9
159.02869	1.2
161.04453	4.7
171.13773	0.5
174.41827	0.4
179.05391	1.0
185.15292	0.8
209.11765	100.0
210.12094	6.5
235.08182	2.9
244.13251	0.4
253.09213	11.3
254.09744	0.6
300.03342	0.4
301.03421	0.9
309.20694	0.6
343.28564	3.4
347.20862	0.7
412.16794	0.7
431.82819	0.5
445.21149	0.8
475.33051	0.5
505.10318	0.5
505.34265	23.7
506.34909	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	505.257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41616	0.3
59.01260	1.1
60.26768	0.3
64.14294	0.3
69.18995	1.1
69.19419	2.2
78.95771	10.2
78.96210	0.5
96.96853	0.7
98.19847	0.6
119.36602	0.3
152.99487	15.7
154.43747	0.3
168.04216	0.7
171.00574	1.5
224.07013	0.4
224.24239	0.3
227.03174	2.8
233.22701	0.7
242.07988	0.7
245.04338	1.8
275.20099	0.4
277.21710	100.0
278.22049	10.2
279.23282	15.8
279.26404	0.6
280.23618	24.0
281.23898	1.2
300.93445	0.3
376.96188	0.3
391.06226	0.4
479.13828	0.3
505.25613	26.5
505.31332	1.5
506.25949	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	505.3018
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01748	0.9
57.03318	3.1
59.01249	14.0
61.98682	0.8
67.01759	0.9
68.99694	0.8
69.03316	1.1
69.19791	3.1
69.20224	3.4
71.00853	0.9
71.01248	18.0
72.99165	4.2
73.02816	1.5
75.00742	16.2
83.01254	1.1
85.02817	24.1
87.00747	7.1
89.02328	5.5
91.77188	0.6
95.01260	6.0
96.95899	0.9
99.00751	11.2
101.02318	1.0
103.00228	2.7
107.78630	0.6
111.00747	0.9
112.01538	0.8
113.02325	33.5
114.02592	0.9
115.00269	1.9
117.01781	3.2
129.01799	1.5
131.03351	1.0
151.66557	0.6
157.01338	1.3
175.02411	3.3
175.20483	0.6
185.43317	0.6
193.03474	0.7
205.07047	2.2
223.08203	1.7
249.06085	9.2
255.23257	84.8
256.23584	8.5
267.07156	6.5
399.29861	0.6
420.04248	0.8
445.27911	1.1
487.29297	1.9
505.30161	100.0
506.30463	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	505.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.8
61.98703	1.1
70.36305	0.2
70.36658	0.7
71.01277	0.7
78.95778	0.2
85.02837	0.4
93.03332	11.9
94.03680	0.3
95.01286	0.9
101.02337	0.3
105.59883	0.2
107.54956	0.3
108.02056	0.8
109.02840	1.3
118.42717	0.2
119.04911	9.7
120.05277	0.5
137.02342	1.6
138.03125	36.3
139.03513	1.0
141.10907	0.3
145.02893	0.4
147.04422	19.8
148.04784	0.9
153.05478	100.0
154.05803	4.6
165.01857	4.2
173.15982	0.3
177.01863	0.6
180.04190	0.9
195.06558	22.0
196.06863	1.2
197.33212	0.3
207.06566	1.4
225.10915	0.2
253.05099	0.6
301.10806	61.8
302.11145	6.4
343.17371	0.6
445.14844	1.3
463.16382	1.3
505.17059	3.5
505.23853	0.2
505.33261	0.3
506.17700	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.1
57.03323	5.7
59.01249	100.0
60.01580	1.1
61.98697	2.5
69.03325	2.2
71.01254	27.9
71.05502	1.2
71.05841	2.3
72.99171	1.4
73.02819	7.7
74.02326	1.3
75.00722	1.3
78.95766	1.1
80.91547	4.7
83.01266	5.6
83.04895	1.1
84.04426	2.7
85.02818	12.4
86.03163	1.2
87.00745	2.9
89.02290	9.6
95.01247	4.6
96.95849	1.9
97.02810	1.5
99.00751	3.8
101.02322	13.6
104.03385	2.3
107.01256	1.2
111.00799	1.4
113.01640	1.4
113.02339	16.3
114.02601	2.6
115.03876	1.6
115.08633	1.9
116.97154	1.0
118.37568	1.0
119.76686	1.0
121.02814	1.9
125.02290	1.8
128.03465	1.6
129.01811	1.1
130.38930	1.2
131.03421	2.6
135.04376	1.7
137.02217	1.5
143.03421	1.2
146.06055	1.9
148.03906	1.1
148.05295	1.1
149.04425	1.8
151.00246	3.9
151.03876	1.2
152.77831	1.1
153.05519	1.6
159.02965	1.5
160.01617	1.4
161.04437	4.9
166.08641	3.0
171.13612	1.0
175.03850	1.6
191.05496	1.2
192.23267	1.2
193.65038	1.1
197.08034	1.3
201.14885	2.0
207.46434	1.1
209.11761	11.6
231.20169	1.1
242.10170	1.5
253.09200	2.1
262.15536	3.1
284.08069	1.1
300.02744	2.4
301.03568	8.4
313.16675	1.5
347.20218	1.6
357.17783	2.0
361.29468	3.0
403.19501	1.4
443.19260	1.1
445.20261	15.4
449.72244	1.1
461.23856	3.0
463.19855	1.2
487.25433	2.2
504.33002	2.4
505.09869	4.5
505.26529	9.1
505.33417	23.2
506.33966	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	505.0986
Annotation	Quercetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.42438	0.2
50.61880	0.2
59.01244	0.2
63.02268	3.3
64.99850	0.5
65.00195	9.2
66.00529	0.4
69.49667	1.6
79.01787	0.3
81.50407	0.2
83.01260	4.8
84.01633	0.2
91.01787	0.3
93.03334	3.9
95.01261	0.6
95.63181	0.2
97.02828	0.3
101.10860	0.2
103.01766	0.3
105.04923	0.2
105.50269	0.2
107.01270	15.5
108.01484	0.3
108.02057	0.6
109.02839	1.2
119.01217	0.3
121.02842	11.5
122.03162	0.6
123.00761	0.4
124.01556	1.3
125.02323	1.4
131.01280	1.5
133.02817	0.2
135.00774	0.6
135.04457	0.2
136.01582	0.6
137.02319	0.9
139.03853	0.5
145.02765	0.2
148.01569	1.4
149.02324	1.5
149.99438	0.6
151.00272	46.9
152.00610	1.9
159.04404	0.6
161.02365	0.6
162.03085	0.2
163.00276	1.5
163.03929	0.5
164.01057	2.1
165.01921	1.0
169.01311	1.2
175.00285	5.6
175.03937	0.5
177.01781	0.2
178.99782	3.0
183.04442	0.5
185.06015	0.3
187.03903	0.8
189.01909	0.3
190.99745	0.3
192.00595	0.7
193.01341	1.8
199.03995	0.6
200.04716	0.5
201.05499	0.7
203.03429	0.5
205.01425	0.5
205.04994	0.3
211.03935	0.9
212.04626	0.3
215.03448	0.3
216.04224	0.6
226.02666	0.2
227.03435	2.3
228.04242	0.5
229.05066	1.1
231.03003	0.4
239.03427	0.3
243.02838	1.1
244.03650	0.4
245.04549	1.0
255.02892	2.4
256.03720	0.5
271.02524	1.6
272.03146	1.0
273.03986	2.0
283.02505	1.1
285.04010	0.4
297.04047	0.2
299.01926	0.6
300.02744	26.3
301.03510	100.0
302.03845	8.8
313.03656	0.8
315.05084	0.3
343.04587	2.6
344.04999	0.2
355.06757	0.5
383.06177	0.7
463.08890	0.3
505.09866	46.9
506.10141	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	505.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51600	0.3
59.01235	0.9
60.52924	0.4
61.98681	0.4
71.49712	0.7
72.16857	0.4
78.95768	6.2
82.75906	0.4
84.57384	0.4
107.59988	0.4
121.02842	100.0
122.03193	5.1
152.99500	6.8
153.99794	1.0
154.99966	0.7
159.64684	0.4
171.00543	2.3
173.01102	0.7
181.06543	2.9
197.06004	2.3
207.04507	1.0
225.05519	2.3
230.73679	0.4
231.21048	2.2
232.21498	2.9
233.21843	0.7
245.04266	6.8
246.04630	4.2
247.04697	3.0
251.07050	0.5
257.09756	0.9
275.20157	1.6
276.20532	2.2
277.20883	1.6
278.22409	0.4
285.09241	0.7
301.03601	0.6
313.07138	5.1
329.08325	0.5
334.50977	0.5
357.06213	0.6
383.07715	1.3
401.93698	0.4
417.09735	9.5
418.10153	1.7
433.09531	0.5
461.12317	0.7
504.24313	1.0
505.11426	6.8
505.24707	1.7
506.11609	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	504.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.5
61.99277	0.1
62.89748	0.1
68.20448	0.1
69.47923	0.5
71.01270	0.1
71.08511	0.1
76.61119	0.1
78.95775	23.6
79.88211	0.1
83.04881	0.1
85.06733	0.1
93.09410	0.1
96.96851	0.3
97.06488	0.1
98.19810	0.1
101.05059	0.1
104.97332	0.1
122.98426	0.2
130.43774	0.1
134.98428	0.2
150.97935	0.2
152.99492	5.0
168.04230	3.6
169.04465	0.1
171.00539	0.2
194.05861	0.2
214.66663	0.1
224.06882	10.0
225.07291	0.4
227.03220	0.3
227.58522	0.1
242.07965	2.5
243.08153	0.1
245.04285	0.3
261.22162	0.5
277.21725	5.9
279.23276	100.0
280.23618	10.4
504.30960	23.5
505.25519	3.0
505.31534	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	505.099
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
50.17999	0.2
51.99813	0.2
59.01247	1.0
63.02266	0.8
65.00186	1.1
66.67293	0.2
69.23672	2.2
71.01257	0.4
75.95364	0.2
83.01259	0.7
91.01777	0.3
93.03334	0.2
107.01273	2.6
108.02039	1.6
109.02837	1.7
111.00796	0.4
113.86854	0.2
121.02853	1.9
125.02377	0.3
128.03421	0.5
130.08589	0.4
132.66823	0.2
132.72682	0.2
134.03607	0.4
135.00766	0.8
135.04401	0.3
143.04550	0.3
147.00679	0.3
148.01569	1.8
149.02293	0.4
151.00275	11.1
151.70267	0.2
152.00662	0.5
153.01854	0.3
159.04422	0.3
160.01563	0.7
161.02327	0.4
163.00258	2.4
163.03929	0.4
164.01025	0.9
167.80739	0.2
169.01433	1.1
169.02650	0.2
171.04361	0.3
173.06102	0.3
175.03935	1.1
178.99777	6.1
180.00241	0.4
183.04460	0.6
187.03940	0.8
188.04872	0.3
189.02045	0.2
192.00577	0.3
193.04984	0.3
198.03226	0.4
199.03914	1.2
200.04402	0.3
201.01886	0.4
201.05528	0.4
203.03441	0.7
211.03928	1.4
212.04689	0.2
215.03473	0.7
216.04248	0.5
226.02666	2.0
227.03470	3.7
228.04124	0.4
229.01341	0.2
229.05020	0.6
239.03355	0.4
243.02974	12.8
244.03531	1.0
245.04568	1.4
250.78453	0.2
254.02264	2.8
254.07828	0.3
255.02968	30.9
256.03400	2.5
271.02472	68.6
272.02899	6.4
272.08850	0.3
273.04050	1.2
283.02475	1.3
299.01895	1.5
300.02737	100.0
301.03439	42.9
302.03845	3.4
343.04440	0.5
408.05661	0.2
445.08154	0.4
461.14523	0.6
463.08853	2.8
464.09174	0.5
504.26999	0.4
505.09863	57.1
506.10214	8.0
506.21405	0.3
508.82721	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	503.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29181	0.3
59.01251	100.0
60.01590	1.1
69.54422	2.1
69.54833	0.8
71.01247	2.7
72.60843	0.4
73.02846	0.7
83.01298	0.4
85.02844	1.2
89.02336	1.0
98.86710	0.4
99.00787	0.5
99.70623	0.4
101.02340	1.9
113.02335	1.6
114.38750	0.4
132.01950	0.4
136.41640	0.4
160.01602	2.1
161.04483	0.9
175.03905	2.7
443.30276	1.4
461.31403	1.0
503.32535	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	503.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01581	1.2
67.84622	0.4
69.66647	2.9
71.01251	3.0
73.02810	0.6
78.95781	0.6
84.28612	0.4
85.02835	1.5
85.71763	0.4
89.02344	0.6
93.03350	1.4
95.65668	0.4
98.19794	0.5
101.02348	1.6
111.00800	1.3
113.02358	1.2
124.01565	6.9
133.06464	0.8
136.01604	0.5
139.03914	14.7
161.04504	0.6
165.01907	0.5
165.05663	0.5
178.02646	1.0
193.04990	4.7
299.09253	11.4
300.09714	1.0
401.25668	1.1
503.16016	1.1
503.32251	2.3
504.32986	0.5
513.50317	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	504.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.4
64.46515	0.5
69.23336	1.2
69.23740	3.5
75.00739	0.7
93.03319	0.6
96.95871	0.7
97.38541	0.5
101.02347	0.5
109.02844	1.2
121.02861	1.1
122.03651	0.7
123.04385	0.6
128.03481	0.5
128.54276	0.5
133.02849	0.8
134.03629	5.7
134.83321	0.5
135.04416	12.9
136.03870	0.7
136.04796	1.0
137.02367	0.9
137.03342	0.5
142.85860	0.5
147.04433	5.2
148.05203	35.2
149.04738	0.5
149.05972	4.2
150.03090	0.7
150.05469	0.6
151.00275	0.7
152.46799	0.4
158.83739	0.5
160.01607	0.6
161.02344	2.1
162.05569	0.5
162.06763	2.1
163.06274	0.7
175.03951	1.0
176.03424	4.7
177.04190	3.4
178.05020	30.1
178.33847	0.5
179.03458	1.0
179.05379	1.1
180.03632	0.8
190.05016	10.8
191.05557	0.7
192.02931	0.5
192.06580	2.2
204.06554	0.8
271.06906	0.7
283.09811	1.1
301.03400	0.8
306.07693	0.5
312.09009	0.6
326.10410	1.2
327.07214	0.8
327.11090	12.6
328.11502	1.3
342.13449	100.0
343.13739	11.4
415.15112	1.8
504.19690	1.0
505.15195	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	503.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54200	0.7
71.21543	1.2
78.95774	46.3
94.72741	0.6
96.96838	3.0
152.99492	56.2
153.99904	1.1
164.68221	0.6
171.00554	17.5
224.06836	1.6
226.07059	0.7
227.03178	2.1
231.21138	35.1
232.21468	4.3
245.04285	100.0
245.19122	0.9
246.04681	3.5
275.20145	41.6
276.20444	4.8
277.21671	8.7
278.22064	17.5
279.22171	0.7
329.81354	0.6
503.23846	22.1
503.29877	4.3
504.24109	3.7
522.70856	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	503.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33269	0.7
71.31021	1.5
71.31374	0.8
78.05103	0.6
78.95773	44.8
93.62449	0.9
96.96841	3.9
109.35413	0.7
116.27998	0.7
132.10262	0.7
139.89053	0.7
143.60429	0.7
152.13239	0.7
152.99487	56.5
153.99779	1.1
171.00546	17.0
179.14291	0.7
227.03227	1.7
231.21130	42.0
232.21486	2.9
234.95746	0.8
245.04274	100.0
246.04654	3.5
248.79631	0.8
262.25107	0.7
275.20145	43.4
276.20508	4.2
422.84531	0.7
503.24103	25.8
504.24451	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	503.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05040	0.5
64.80776	0.6
70.12951	2.3
70.57565	0.5
78.95773	40.9
84.54026	0.6
96.96836	2.8
150.97951	1.1
152.99493	52.2
153.99895	0.8
156.77933	0.5
171.00551	17.4
217.73250	0.6
227.03212	2.1
229.19427	0.8
231.21141	35.6
232.21408	3.7
245.04291	100.0
246.04706	3.7
267.17978	0.5
275.20148	41.5
276.20517	4.5
478.75177	0.6
503.24124	21.9
504.24579	4.0
528.29535	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	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11435	1.1
55.01743	2.2
55.51426	1.3
57.03317	4.6
59.01249	100.0
60.01597	1.7
61.98695	2.2
68.84566	1.1
69.03317	1.9
69.70142	1.4
71.01254	53.1
71.04894	2.1
71.49889	1.7
72.01595	1.5
72.99184	3.2
73.02824	12.5
75.00747	1.6
78.95773	2.6
81.03313	1.6
83.01254	6.4
83.04892	3.3
85.02823	26.3
87.00736	3.6
89.02311	14.5
93.03346	1.2
95.01274	7.4
96.95896	1.8
97.02810	2.4
99.00746	5.4
101.02323	26.0
102.02638	1.6
111.00758	1.9
113.02320	32.0
119.03387	7.0
124.01567	2.3
125.02319	3.3
127.05016	1.7
128.03429	2.7
133.10034	1.7
135.04424	3.3
139.03883	1.6
143.03407	2.5
145.02852	1.9
145.06102	2.4
159.02847	3.0
161.02315	2.9
161.04462	10.7
179.03543	1.5
188.03442	1.9
189.73155	1.4
191.05539	2.8
229.42705	1.4
257.21274	3.0
282.44769	1.5
299.02118	1.6
315.18054	1.6
359.27975	3.3
399.23743	5.1
401.25351	2.2
459.22131	8.5
485.31259	1.8
503.16644	2.0
503.25336	8.7
503.32336	32.6
504.32434	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	503.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
61.98687	2.7
66.03361	13.5
68.01281	4.3
69.28131	5.1
69.28552	5.2
71.01247	2.8
82.02853	29.9
83.01250	1.5
94.02847	4.7
97.74316	1.2
98.19755	2.2
110.02360	100.0
111.01881	7.8
111.02693	3.0
111.95600	1.1
120.04433	1.3
122.02386	6.9
136.03937	1.8
138.01891	1.2
140.03421	10.2
152.32697	1.3
153.02954	8.0
164.03456	6.2
182.04562	7.1
200.71751	1.1
221.16664	1.2
277.21713	12.2
283.33130	1.3
334.64285	1.1
336.32178	1.2
341.97134	1.1
423.82788	1.4
448.26175	1.3
460.27115	7.4
503.27768	14.9
504.28159	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	503.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.6
59.01254	7.8
66.58065	0.5
68.78979	0.5
71.01260	5.3
71.49412	1.1
72.99171	0.7
73.02841	1.3
74.85538	0.6
75.31863	0.6
85.02818	2.1
89.02328	1.9
89.33751	0.6
95.01275	0.7
96.95921	0.7
101.02319	1.4
107.04897	0.9
107.44097	0.6
111.00827	0.7
113.02347	3.1
116.92738	1.3
119.03374	0.8
127.71462	0.6
128.03442	0.7
130.08633	7.2
131.08994	1.5
132.59557	0.6
133.02832	6.1
134.03618	2.8
135.04413	93.3
136.04755	3.5
145.02884	0.8
151.00337	0.7
152.07121	0.9
161.02345	23.0
162.02742	1.3
175.03957	3.4
177.05466	1.3
179.03413	100.0
180.03737	4.9
185.00891	0.7
203.03424	19.1
203.05322	0.9
204.03836	1.2
221.04526	1.0
299.01901	1.8
311.12936	0.7
323.07672	6.4
341.08841	7.6
341.13950	2.3
342.09406	1.2
342.13617	3.6
468.19382	0.9
502.26889	2.2
503.12457	6.5
503.26172	4.8
503.33148	1.4
504.11905	0.8
504.28207	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	503.1198
Annotation	1,2-Di-O-(E)-caffeoyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
56.04794	0.2
59.01247	3.3
61.33180	0.2
70.80613	0.5
70.80985	0.5
71.01254	1.4
71.01603	0.3
78.78568	0.2
80.10866	0.3
85.02833	0.4
88.97052	0.2
89.02328	0.6
90.02634	0.3
91.05406	0.4
96.30647	0.3
101.02323	0.5
107.04883	1.8
113.02332	0.5
117.03344	0.8
118.94093	0.2
130.08629	12.8
131.08986	2.4
133.02847	6.4
134.03632	5.1
135.04411	100.0
136.04741	4.5
145.02849	0.3
147.04352	0.5
148.05151	0.5
149.05974	0.7
161.02347	20.6
162.02698	1.2
175.03883	1.9
177.05502	0.7
178.02577	0.3
178.05046	0.3
179.03412	92.1
180.03752	4.5
203.03432	8.7
204.03778	0.5
221.04637	0.5
287.42566	0.3
323.07715	4.3
341.08737	3.2
342.09799	0.3
342.13397	1.5
502.26590	5.3
503.11966	7.7
503.26865	9.6
504.11975	1.4
504.27621	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	503.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54803	0.1
51.74653	0.1
56.13258	0.1
59.01249	4.8
60.01579	0.1
63.02265	0.9
65.00188	1.1
65.48816	0.1
69.03288	0.1
71.01237	0.7
71.49394	0.1
71.49828	0.1
73.02809	0.2
78.95782	0.1
79.01762	0.1
85.02836	0.2
85.03394	0.1
89.00188	0.3
89.02318	0.3
91.01778	0.2
93.03333	6.6
94.03671	0.2
95.01257	0.5
95.04878	0.3
97.02813	1.0
101.02329	0.4
102.84570	0.1
107.01267	1.8
108.02042	0.9
109.02842	0.2
111.00765	0.3
113.02345	0.3
119.03418	0.1
121.02847	0.5
122.03620	0.3
123.00808	0.5
124.01550	56.5
125.01891	1.6
133.06474	3.9
134.06819	0.1
135.00763	0.1
136.01558	4.7
139.03905	100.0
140.03169	0.2
140.04239	3.5
143.24933	0.1
147.04378	0.3
149.99510	0.2
150.03123	1.0
151.03746	0.2
151.58253	0.1
152.99504	0.1
157.06512	0.2
158.03661	0.1
159.04460	0.2
159.05782	0.1
163.00266	1.2
163.03864	0.1
165.01846	2.8
165.05435	0.2
177.01845	1.8
178.02625	10.0
179.03017	0.4
179.05476	0.1
181.04939	0.2
190.02615	0.4
193.04985	35.5
194.05327	1.9
205.04974	0.9
210.01628	5.0
211.01973	0.2
211.03934	0.3
214.05028	0.1
266.05890	0.3
267.06638	0.2
281.08191	0.4
297.07336	0.1
299.09222	69.4
300.09567	6.1
300.13052	0.2
342.35968	0.1
443.13303	0.4
460.17841	0.1
461.14566	0.5
485.32281	0.3
502.32520	0.1
503.15570	7.1
504.15826	1.0
523.08691	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	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.5
57.03315	0.3
59.01251	7.4
60.43706	0.3
69.23117	0.3
70.98630	0.7
71.01254	5.1
73.02820	0.9
83.01247	0.8
85.02833	1.8
89.02315	2.3
95.01253	0.5
101.02318	2.6
113.02338	0.9
119.03413	0.4
128.10681	0.4
130.08633	100.0
131.08987	3.5
133.02904	0.4
135.04396	1.7
145.02853	0.3
161.02336	0.5
165.12798	0.3
177.01836	1.7
178.02141	0.5
179.03471	1.6
260.20242	0.5
299.05637	1.1
304.19330	0.4
322.20282	0.5
340.21170	0.5
484.13297	0.3
484.25473	0.7
502.26587	87.6
503.11523	0.4
503.19370	0.6
503.26880	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	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.3
57.03318	0.3
58.00481	0.5
59.00957	0.5
59.01249	9.8
61.98701	0.6
70.89212	0.8
71.01247	6.2
72.99198	0.6
73.02824	0.9
78.95770	0.8
83.01255	0.7
85.02824	2.6
86.79506	0.3
87.00760	0.5
89.02316	2.7
95.01261	0.6
96.95890	0.7
96.96795	0.3
98.95477	0.4
99.00739	0.5
101.02328	3.0
107.01254	0.5
107.04903	0.4
109.54486	0.3
113.02352	1.6
114.05501	0.6
117.03412	0.4
119.03387	0.6
128.03445	0.6
128.10672	0.4
128.33716	0.3
130.08629	100.0
131.09004	2.3
133.02856	1.4
135.04414	10.0
145.02861	0.8
147.04405	0.3
150.09976	0.4
151.00275	0.5
161.02350	3.6
161.04463	0.4
175.03955	0.6
178.99884	0.5
179.03403	9.5
190.04979	0.3
194.04619	0.3
255.02800	0.4
271.02448	1.5
281.13599	0.3
296.09155	0.3
299.01917	1.3
301.03207	0.3
304.89703	0.3
322.20267	1.7
340.08252	0.3
340.11890	1.2
340.21323	0.4
341.08716	3.1
357.09052	0.5
502.26569	97.8
503.08261	1.2
503.26929	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	0.0
59.01249	1.0
59.98377	0.0
69.93876	0.2
71.01237	0.2
78.95771	7.7
79.00621	0.0
83.04895	0.2
90.96658	0.0
96.96828	0.1
97.06471	0.1
99.04415	0.0
101.38540	0.0
113.05960	0.1
122.98438	0.0
127.07585	0.2
135.91284	0.0
141.09103	0.1
152.99474	0.8
163.57082	0.0
168.04210	2.0
171.00568	0.1
182.13092	0.1
183.13664	0.0
191.10696	0.0
205.19537	0.1
224.06868	1.1
225.07198	0.1
233.22748	0.3
234.22916	0.1
239.57014	0.0
242.07942	3.6
243.08279	0.1
257.19025	0.0
259.20566	0.5
260.21005	0.1
275.20108	0.4
277.21695	100.0
278.22028	10.1
466.65768	0.0
502.29364	6.7
503.29724	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	503.1197
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01247	3.0
59.09844	0.3
62.36920	0.2
62.99310	0.3
65.00205	0.5
69.25266	2.5
71.01250	2.2
73.02826	0.6
82.00508	0.3
83.01231	0.3
85.02809	0.7
89.02313	0.9
93.03353	1.0
99.00737	0.3
101.02326	1.0
107.01299	0.4
110.00004	1.2
113.02356	1.2
117.03373	0.8
119.03446	0.4
119.04899	0.4
125.02340	0.2
131.05951	0.3
131.37245	0.2
134.00014	0.5
136.98587	0.3
138.15277	0.2
145.02837	0.3
151.00249	0.8
153.05490	0.8
159.04420	0.4
161.04453	0.6
161.99451	0.3
163.00247	0.3
165.01865	1.1
183.02951	0.4
183.04437	2.8
185.02412	0.4
185.05780	0.2
187.03925	0.3
199.03920	0.3
200.04657	0.4
211.03940	3.2
212.04710	0.4
213.01778	0.2
226.02701	0.3
227.03452	15.9
228.03972	2.4
239.03368	0.6
241.04900	0.5
243.06555	0.7
255.02960	57.6
256.03510	6.9
257.04163	0.3
271.06015	0.8
283.02463	88.6
284.03156	25.9
285.03595	1.7
298.04813	54.8
299.05576	100.0
300.02490	0.4
300.05923	8.8
329.59659	0.3
338.44321	0.3
341.06696	0.7
461.10852	0.5
503.11960	35.0
503.32150	1.2
504.12314	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	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16288	0.7
53.64785	0.8
59.01244	2.0
59.55005	0.8
61.98702	100.0
69.80332	3.8
78.95785	8.8
121.02854	2.4
140.01137	1.2
152.99478	2.4
160.52768	0.9
192.98926	0.8
196.03720	3.6
214.04793	0.8
260.90231	0.8
267.02429	1.0
277.21826	0.9
305.24860	22.8
306.25229	2.0
442.31711	1.1
502.29114	7.1
502.35437	0.8
503.29749	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	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65980	0.8
55.01754	1.0
57.03308	1.7
58.00455	2.7
59.01249	69.9
60.01574	2.5
61.98676	1.2
71.01252	32.4
71.48978	1.1
72.01578	0.9
72.99173	2.5
73.02809	4.0
73.35320	0.8
76.26149	0.8
81.03328	20.5
83.01250	2.0
83.04893	63.0
84.05228	1.4
85.02822	10.1
86.02339	2.9
87.00750	1.5
89.02313	25.8
95.01241	2.9
99.00740	1.5
101.02320	19.2
113.02320	13.0
115.33130	0.9
118.92709	0.8
119.03380	9.4
127.03851	2.3
142.08623	5.3
143.03384	2.4
144.10162	1.5
145.04993	3.9
156.46690	0.7
161.04410	2.2
162.04579	0.8
170.08165	3.7
179.05508	2.6
181.12254	6.3
188.09218	17.7
194.15369	1.5
197.21176	0.9
199.13446	1.2
239.07118	1.1
307.44781	0.8
322.20285	2.6
329.39844	0.9
332.13394	1.1
350.14563	30.2
351.14734	1.9
404.19092	3.4
484.25504	8.0
502.26535	100.0
503.26312	14.9
503.32660	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	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
58.00466	0.7
59.01248	14.0
62.40063	0.2
69.89761	0.6
69.90176	0.7
71.01251	7.3
72.99185	1.0
73.02810	0.3
83.01261	0.8
85.02822	1.7
87.00726	0.4
89.02316	3.2
95.01256	0.8
99.00817	0.3
101.02323	3.5
107.04900	0.3
113.02345	1.8
119.03386	0.9
128.10718	0.4
130.08630	100.0
131.08987	3.3
133.02847	1.9
134.03656	1.7
135.04411	28.1
137.02345	0.4
145.02850	1.4
161.02351	6.4
175.03909	0.6
177.05450	0.4
178.02644	0.5
179.03418	29.9
194.04536	0.3
203.03433	2.4
212.21182	0.2
253.14326	0.3
298.10773	0.7
305.86765	0.3
322.20016	1.9
323.07672	1.2
340.21072	0.3
341.08804	0.9
353.49762	0.2
414.12549	0.3
502.26556	89.9
503.11884	2.0
503.26923	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	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60265	0.4
53.64367	0.4
55.01748	1.3
57.03305	1.8
58.00454	1.4
59.01250	37.8
60.01562	1.5
61.98701	0.9
63.91263	0.5
69.03329	0.6
71.01252	26.6
71.49647	0.8
72.01590	0.7
72.99162	1.9
73.02825	5.1
75.00733	0.4
81.03342	3.3
81.63672	0.4
83.01252	3.6
83.04404	0.8
83.04892	10.8
85.02818	9.9
87.00734	1.7
89.02313	14.5
95.01289	2.6
96.08063	0.5
96.95868	1.2
97.06445	0.9
99.00726	1.8
101.02319	16.9
102.02646	0.7
111.00715	0.5
113.02328	11.1
114.02656	1.0
115.07500	1.2
119.03413	4.4
119.04907	2.2
120.05245	1.2
125.02349	0.7
127.03866	0.6
128.03389	0.7
130.08609	1.9
131.03419	0.5
133.02681	0.5
137.09563	1.2
139.07552	18.2
139.11166	1.2
140.07814	0.9
143.03357	0.8
145.02826	1.2
152.91653	0.9
156.10182	2.5
157.08601	0.8
158.11800	5.3
159.02882	1.0
160.01460	0.7
161.02267	0.7
161.04445	3.5
162.12749	0.7
163.03883	1.3
164.04314	0.9
164.10677	0.7
176.04355	0.6
179.05481	0.6
180.13866	2.7
181.10805	0.8
181.12263	10.4
182.12654	0.4
183.10144	1.6
194.92706	1.4
199.13266	1.0
206.11783	1.7
224.12872	4.2
242.14252	0.5
260.31244	0.5
299.05353	0.6
320.16956	1.1
327.21661	0.7
338.97046	0.7
340.92490	0.6
341.10208	1.7
359.28073	0.7
372.20892	0.7
404.19214	8.1
405.19467	0.7
412.19937	0.5
429.05643	0.5
484.25455	2.1
485.25256	0.7
502.26480	100.0
503.26486	14.9
503.32028	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	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12808	0.3
53.62910	0.4
59.01250	100.0
60.01583	1.1
61.98700	1.3
69.03321	0.8
71.01254	4.1
71.50603	0.6
73.02831	1.3
78.19082	0.4
78.95794	0.6
79.48418	0.4
83.01285	0.6
85.02821	1.1
89.02319	2.1
96.95919	0.6
97.80562	0.4
99.00778	0.6
99.92474	3.2
101.02316	3.0
106.91806	0.4
111.00742	2.9
113.02345	1.5
115.00231	0.5
115.91969	5.6
116.92739	20.9
117.92755	1.0
119.03364	0.5
166.18228	0.4
176.91870	0.4
177.52678	0.5
185.00775	0.5
193.84904	0.4
198.45039	0.4
204.82942	0.4
329.74518	0.5
457.11731	0.8
501.10709	2.2
501.31580	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	502.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07591	0.3
64.72600	0.3
69.74876	1.9
71.01252	0.3
83.99367	0.3
87.83449	0.3
93.03349	1.0
94.20350	0.3
97.41575	0.4
98.67614	0.3
109.62918	0.3
117.03342	13.0
118.03676	0.5
119.04900	1.0
131.03571	0.3
132.04375	0.6
133.95607	0.3
144.41373	0.3
145.02855	100.0
146.03192	5.0
147.03146	0.5
147.04362	0.6
148.03938	9.8
149.04675	1.4
150.05516	17.6
151.05852	0.8
160.03940	2.2
162.05591	0.3
163.03960	0.4
176.03448	0.5
190.05060	0.5
194.04520	26.3
195.04826	1.3
202.04994	1.8
220.02463	1.2
252.10205	2.8
252.98578	0.3
254.08221	0.7
267.13101	0.3
268.09750	2.4
278.08282	0.3
296.09256	11.2
297.09650	1.3
340.08240	53.5
341.08643	5.8
356.09879	1.8
502.13547	6.7
503.13635	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	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61227	13.7
58.43344	13.4
59.01253	77.4
89.61699	14.4
120.33640	16.2
152.99446	16.8
213.97101	14.3
277.21729	100.0
291.23199	57.5
356.67889	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	499.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	94.3
62.26232	31.7
71.01242	46.3
71.51202	39.4
71.51562	35.8
73.50020	32.0
78.95770	49.4
95.92045	42.6
140.65753	32.4
141.17157	32.3
206.99048	35.1
209.21863	40.2
277.21719	98.0
291.23236	100.0
388.12335	40.6
396.86615	34.8
466.34015	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.9
59.01249	100.0
60.01593	2.4
60.99186	2.5
61.08449	1.8
70.25021	1.6
70.51272	2.8
70.51640	6.1
71.01250	39.7
72.99182	2.6
73.02820	8.5
75.00748	2.2
83.01269	4.8
83.04877	1.9
85.02818	24.2
85.99963	2.9
88.98675	26.0
89.02307	17.2
95.01282	5.7
96.95903	3.0
99.00742	5.0
101.02319	15.9
108.28281	2.1
111.00745	1.9
113.02325	24.8
114.02621	2.0
119.03418	5.8
125.02291	2.7
128.03455	3.4
129.09186	1.8
134.03587	3.5
137.09618	6.2
143.03348	2.9
145.02861	4.3
148.05159	2.6
161.04428	6.0
163.07370	1.9
171.13809	2.1
174.40051	2.0
182.77650	1.8
193.04996	4.5
196.24716	1.8
201.14740	2.0
220.66476	2.3
225.29523	2.2
251.87108	2.3
321.24002	2.5
344.18372	3.7
357.26245	2.9
362.19287	4.9
373.22119	2.0
441.30005	2.2
483.29315	5.4
501.23672	1.6
501.30728	38.0
502.31052	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	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94329	0.2
59.01250	100.0
60.01595	1.3
69.16885	2.3
71.01260	1.5
73.02818	1.2
79.24184	0.2
83.01243	0.4
85.02849	0.7
89.02341	0.6
96.95924	0.5
97.02855	0.2
98.19859	0.5
99.00787	0.2
101.02325	1.4
113.02334	1.0
119.03380	0.3
127.05113	0.2
128.03375	0.2
149.04539	0.2
161.04506	0.5
191.05513	0.3
197.70888	0.2
274.04877	0.2
379.21326	0.2
397.22357	0.5
439.23633	0.5
454.73541	0.3
499.31003	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	499.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03971	0.2
57.03330	0.3
59.01251	100.0
60.01585	1.6
61.01670	0.2
61.98689	0.3
67.30508	0.2
71.01243	2.0
73.02834	0.8
78.95790	0.3
82.95361	0.2
83.01254	0.5
85.02830	0.5
89.02321	1.1
96.95895	3.6
99.00832	0.3
99.92472	0.5
101.02317	1.5
102.05496	0.3
105.79582	0.2
111.00842	0.4
113.02334	1.1
115.92002	0.9
116.92751	3.4
117.92726	0.3
119.03393	0.3
143.03442	0.2
147.12527	0.2
152.99483	0.4
153.34964	0.2
161.04504	0.8
161.24687	0.2
235.16354	0.3
373.25940	0.3
379.20947	0.2
392.92993	0.2
419.26431	1.2
439.23416	0.6
455.10715	0.2
499.09415	1.0
499.22089	1.0
499.30014	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	497.3638
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
59.01233	0.9
70.61147	0.8
70.82803	1.4
70.83121	1.0
72.99969	0.7
118.95426	0.9
125.16403	0.8
437.34186	1.1
452.62375	0.8
497.36365	100.0
498.36728	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	499.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.5
61.98703	0.4
62.61566	0.2
69.03333	0.2
71.01248	1.2
71.46291	0.2
71.49565	0.3
72.99181	0.2
73.02814	0.3
75.55020	0.2
79.95606	44.3
80.96390	1.1
85.02808	0.5
89.02322	0.8
95.95107	11.5
96.95889	100.0
97.95830	0.5
101.02310	0.7
110.97466	6.5
111.00826	0.2
113.02377	0.4
130.08629	3.9
137.02347	0.5
138.03156	0.4
139.03918	0.3
141.95676	1.9
145.02890	0.5
149.99829	1.1
151.00330	0.3
151.03857	0.4
152.01030	0.8
153.01843	0.3
153.05447	0.2
163.03833	0.2
164.98560	0.5
166.02638	1.4
167.03395	1.5
169.33574	0.2
172.09700	0.2
175.03952	0.5
178.02678	0.2
179.72343	0.2
180.04193	0.3
181.04910	1.4
181.98756	0.2
190.02565	0.3
190.06357	0.3
191.03543	0.3
191.05437	0.2
191.07056	0.4
192.04242	0.4
193.04993	0.6
194.05673	0.3
205.04985	0.4
207.06560	0.6
227.31075	0.3
264.41357	0.2
287.02365	0.3
289.03778	1.4
345.06314	0.5
359.11206	0.3
389.12219	1.4
413.14722	0.4
439.21640	1.2
452.96750	0.3
469.08212	1.1
484.10593	2.4
499.12723	71.4
499.18610	3.8
500.13080	8.9
500.24585	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	499.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47367	0.2
59.01249	3.7
61.98689	0.5
69.66716	1.2
71.01256	2.5
73.02810	0.4
78.95762	0.3
79.95610	3.3
80.96397	0.3
85.02808	0.6
87.00744	0.5
89.02312	1.0
93.14494	0.2
95.01265	0.3
95.95123	0.5
96.95889	100.0
97.02885	0.3
98.95465	0.7
99.00818	0.2
101.02334	1.4
110.95049	0.2
113.02347	0.9
119.03387	0.4
126.60295	0.2
127.07553	2.1
128.03441	0.2
129.09174	0.2
130.08595	0.5
137.02397	0.2
145.02888	0.3
148.03922	0.3
151.03822	0.3
167.10628	0.3
175.03949	0.3
191.05588	0.4
205.04965	0.3
239.16521	0.5
257.17569	1.6
258.99704	0.2
319.12170	0.6
323.13348	0.3
333.10898	0.3
401.21786	0.5
409.15787	0.3
413.13086	0.6
419.17117	0.6
419.22827	10.8
420.23257	1.1
439.16422	0.4
439.21985	0.3
455.14633	0.5
499.18579	58.1
500.18866	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	497.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92672	0.2
55.76291	0.2
59.01250	100.0
60.01582	0.9
70.41129	0.6
71.01249	1.5
73.02836	0.6
78.95774	3.9
85.02837	0.3
86.92074	0.2
96.95888	0.5
96.96850	0.4
97.02847	0.4
101.02352	0.6
113.02345	0.5
116.31951	0.2
121.02852	0.4
152.99489	6.5
153.11737	0.2
161.04501	0.4
161.05978	0.3
171.00549	0.3
171.10158	0.2
178.53516	0.2
233.15439	3.7
234.15857	0.3
315.37830	0.2
329.17953	0.2
377.19623	0.2
395.20798	0.5
437.22067	0.8
497.25018	1.8
498.25824	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	497.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37932	0.2
59.01249	100.0
60.01576	1.3
61.98709	0.4
62.05565	0.2
69.03352	0.2
69.47854	0.5
69.48273	0.8
71.01250	1.2
71.04919	0.2
73.02827	0.5
78.91844	0.1
79.95609	1.0
80.96396	0.3
85.02834	0.5
87.91507	0.2
89.02343	0.4
95.95119	0.3
96.95886	9.9
101.02331	1.0
103.00267	0.9
113.02354	0.3
113.74783	0.2
119.03383	0.2
148.31981	0.2
149.04504	0.2
152.98566	0.3
161.02417	0.2
161.04474	0.3
163.27922	0.2
164.98596	0.5
180.98038	0.3
225.00821	0.3
241.00241	0.7
256.99719	0.5
273.49664	0.2
377.19714	0.3
393.12656	0.2
395.20880	0.5
411.13281	8.7
412.13818	0.8
437.21939	0.5
453.14325	4.3
454.14969	0.7
497.13297	3.6
497.20651	0.7
498.13721	0.5
498.23782	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	497.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.1
60.99169	2.3
61.98710	1.4
65.53846	0.8
69.03328	2.0
69.98868	2.1
69.99283	2.2
78.95775	43.6
85.02822	7.4
96.96839	3.9
109.74343	0.9
117.45683	0.8
128.54161	0.7
152.99486	46.6
171.00543	16.5
183.17494	8.5
184.17764	1.3
205.19476	2.0
209.19099	1.0
221.19034	2.9
241.01027	1.1
245.04277	100.0
246.04645	2.9
251.20244	1.0
266.00348	0.8
269.21204	7.1
317.18857	1.6
497.25208	19.5
498.18637	1.0
498.25571	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	496.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13400	1.1
51.93829	0.9
61.98692	4.9
63.15563	0.8
70.38000	2.5
70.38352	1.7
73.01847	0.9
78.32086	0.9
78.95775	46.5
83.57523	0.9
96.96825	8.1
98.20499	0.9
124.16740	0.8
141.20370	1.1
150.97929	1.6
152.99492	100.0
153.99879	2.1
161.40002	1.0
163.55942	0.9
164.65125	1.2
171.00531	4.9
202.79323	0.9
279.23370	1.1
331.42175	1.0
409.23572	4.5
433.23550	24.0
434.23520	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	497.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01592	1.2
61.98698	0.6
69.03349	0.4
69.24400	0.7
69.24805	2.4
71.01265	2.5
73.02811	1.6
75.00719	0.3
78.95777	0.4
83.01290	0.5
85.02830	0.5
87.00754	3.9
89.02347	0.8
96.95895	0.5
97.02887	0.3
101.02332	1.4
113.02362	1.0
152.99535	1.1
159.02823	0.3
161.04536	0.3
163.26996	0.3
175.02408	0.3
215.14418	0.3
233.15582	1.2
235.17091	0.8
259.17056	0.6
277.18237	0.4
305.17508	3.1
313.99088	0.3
395.75491	0.3
476.23407	0.8
476.73477	0.4
497.27350	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	497.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01249	100.0
60.01590	1.2
61.19754	0.3
61.98702	0.9
64.46600	0.2
70.52519	0.6
71.01264	1.2
72.99187	0.2
78.95821	0.3
85.02837	0.5
89.02309	0.4
96.95885	1.6
99.00737	0.3
100.15025	0.3
101.02316	0.6
103.62295	0.3
108.02084	1.2
109.02878	0.2
113.02353	0.5
146.68712	0.3
152.01042	2.2
155.10626	0.3
160.03978	1.2
161.04553	0.3
203.17149	0.3
229.14380	0.3
302.63232	0.3
395.20688	0.6
411.13376	0.6
437.21985	1.0
453.14349	0.4
497.19077	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	493.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.6
57.03316	1.1
58.00463	0.4
59.01247	23.6
60.01590	0.4
61.98706	2.5
69.03300	0.6
69.44007	1.0
69.44427	2.2
71.01252	10.5
72.99165	1.1
73.02814	3.0
78.95781	0.4
79.95579	0.7
83.01245	2.5
85.02821	4.7
87.00755	1.3
89.02301	3.4
95.01262	0.9
96.36073	0.4
96.95897	4.8
98.95479	1.4
98.96288	0.5
99.00731	0.9
101.02319	8.4
105.86060	0.4
111.00769	0.9
113.02327	3.7
115.00285	0.4
119.03377	0.9
125.02359	0.5
127.11179	1.4
133.01309	1.0
155.10675	0.7
157.12206	0.8
161.04463	0.9
171.10184	1.7
190.33743	0.4
223.78123	0.4
242.99834	0.5
261.49460	0.4
295.22751	0.9
311.22559	0.4
313.23846	6.3
314.24063	0.5
329.23325	1.6
331.24863	23.4
332.25165	2.4
390.04080	0.4
395.20920	0.8
407.08429	0.8
433.27930	2.8
449.09964	0.5
451.28659	1.2
475.29202	2.9
493.30164	100.0
494.30487	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	493.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.7
57.03329	0.7
58.00478	0.6
58.57082	0.4
59.01249	21.5
59.11466	0.4
61.98704	3.3
64.82766	0.5
71.01253	8.9
71.20963	0.9
72.99178	1.1
73.02824	2.4
78.95778	0.7
79.95567	0.4
82.43513	0.4
83.01266	1.8
85.02831	4.7
87.00757	1.3
89.02322	3.5
95.01255	0.9
96.95898	5.4
98.95464	1.3
99.00753	0.7
101.02327	6.2
111.00749	0.7
113.02303	4.4
118.65711	0.4
119.03407	1.5
125.02283	0.9
127.11183	1.3
137.02295	0.6
145.06081	0.6
157.12247	1.0
161.04465	0.6
171.10185	1.8
201.11259	0.6
225.04480	0.5
295.22812	0.5
313.23807	6.8
314.24176	0.5
329.23380	1.7
331.24878	21.6
332.25272	2.1
382.45563	0.4
395.21100	1.6
407.08112	0.6
433.27936	3.1
449.09390	0.6
451.28552	1.0
475.29294	2.5
493.30179	100.0
494.30466	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	494.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	2.9
69.24817	4.5
69.25244	7.4
78.95777	45.3
87.76491	1.2
96.96828	6.1
149.49979	1.1
150.97884	1.6
152.99492	100.0
153.99850	2.0
158.22798	1.4
171.00566	3.9
210.73027	1.2
425.94839	1.2
431.21988	25.7
432.22482	2.6
439.49377	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	491.2861
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01743	0.9
57.03306	0.9
58.00462	0.9
59.01251	27.1
69.03329	0.3
69.46809	2.3
71.01254	15.8
72.99177	1.3
73.02816	1.1
78.95778	0.3
83.01249	1.4
85.02824	4.3
87.00764	1.1
89.02319	8.8
95.01247	1.1
96.95881	1.4
99.00748	0.5
99.08020	1.0
101.02322	9.0
113.02322	5.1
119.03404	2.6
125.09550	0.6
127.11156	0.4
148.05222	0.3
163.11168	0.6
171.10184	1.2
179.97154	0.4
183.13808	0.6
188.58180	0.3
193.12347	0.6
209.11713	0.4
211.13329	6.3
212.13567	0.5
229.14384	4.6
241.21426	0.3
249.22266	0.6
287.22275	1.1
293.21188	8.8
294.21484	1.2
311.22247	4.2
312.22626	0.4
327.81696	0.3
329.19592	0.6
329.23282	7.6
330.23538	1.0
431.26563	0.5
449.27625	0.7
473.27319	0.6
480.55307	0.3
491.28598	100.0
492.28961	14.1
492.36194	0.7
504.49966	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	491.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
59.01246	4.1
61.98687	0.4
68.57320	0.2
69.31574	0.6
69.31996	1.2
69.70771	0.2
71.01248	3.7
72.92976	0.2
72.99172	0.3
73.02821	1.0
78.95779	1.5
83.01266	0.6
85.02821	0.8
87.00729	0.5
89.02323	3.2
89.87734	0.2
91.03882	0.3
95.01276	0.3
96.01951	0.2
97.02823	0.3
99.00773	0.2
101.02321	3.6
113.02313	1.6
113.36000	0.2
119.03367	0.9
125.02274	0.2
127.71780	0.2
131.03496	0.2
133.04984	0.3
143.03389	0.4
152.99466	1.8
161.04459	1.4
171.00575	0.6
179.05533	0.4
206.74457	0.2
235.08205	1.4
253.09264	11.9
254.09415	0.3
255.23260	100.0
256.23611	8.0
295.26376	0.8
433.23328	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	492.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36487	0.3
57.03313	0.7
58.49833	0.3
59.01250	2.1
66.38950	0.3
69.31207	0.5
69.31610	2.7
78.95775	11.7
79.31155	0.3
83.42345	0.3
96.96834	0.4
97.06441	0.4
101.39818	0.3
113.09632	2.0
117.83179	0.3
121.81107	0.3
121.99993	0.4
140.01086	3.7
148.05159	1.9
149.05533	1.2
152.99490	1.8
157.08626	0.4
163.07603	1.7
164.07932	0.6
169.12196	0.4
171.00574	0.5
177.12808	0.7
179.14320	1.0
181.12297	0.6
195.13832	15.2
196.03716	1.6
196.14197	0.9
214.04796	4.8
234.31755	0.4
251.23795	0.5
277.21722	15.0
278.22086	1.6
295.22769	100.0
296.23096	9.0
321.31360	0.3
448.71954	0.4
492.27307	23.1
493.27740	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	492.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.0
61.98704	45.7
68.82969	0.9
71.01247	1.8
89.02328	2.4
91.01750	1.0
95.04886	2.4
96.42176	0.7
96.95928	1.5
98.19779	2.3
99.66453	0.8
101.02305	1.5
103.95354	0.9
108.02057	6.1
109.02837	61.9
109.93909	0.8
110.03181	1.8
115.05404	0.9
119.03382	0.9
119.04905	1.9
121.02831	2.0
122.03599	3.1
123.04410	24.5
123.05300	1.4
123.41313	0.9
124.01537	1.3
124.04739	1.6
129.03360	2.7
131.04897	1.7
134.03572	2.5
135.04399	4.0
137.02362	1.7
145.02838	3.0
146.03615	3.2
147.04417	29.7
148.04788	1.1
151.00308	1.0
152.01083	5.1
152.07069	29.2
153.01823	1.7
153.07388	1.2
158.03613	3.1
159.04427	36.8
160.04771	1.2
161.02328	2.8
161.05911	1.6
171.04431	1.3
172.05209	1.0
175.03873	2.8
178.04993	2.8
184.03932	1.2
189.04140	1.4
190.05061	9.1
202.05054	26.9
203.03456	39.6
203.05325	2.7
204.03786	2.4
204.06647	1.0
212.03392	2.0
214.05042	21.2
215.05429	2.3
216.06532	2.0
219.03085	1.0
228.06702	1.3
229.01370	20.7
229.43864	0.9
241.05118	2.3
249.05550	1.0
249.11395	1.6
251.07004	1.2
253.05022	1.0
267.06647	3.0
268.07169	1.7
269.08170	17.4
270.08472	2.2
277.05081	1.7
295.06134	3.7
313.07080	1.8
325.09528	1.1
326.10333	2.8
338.10336	100.0
339.05072	14.1
339.10596	13.0
340.05527	1.8
340.41757	1.0
362.62073	1.1
364.08212	3.2
382.09384	12.8
383.09769	1.2
448.13998	35.4
449.14349	5.7
474.11633	1.1
492.12943	42.5
493.12875	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	491.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.1
58.00478	3.1
59.01249	86.7
69.24798	25.6
71.01251	36.1
73.02827	16.4
75.00722	2.9
83.01257	8.6
85.02815	12.8
85.06470	4.2
87.00738	7.7
89.02303	8.1
96.95879	15.7
99.00748	6.8
101.02317	23.0
111.00737	5.6
113.02294	9.9
116.92718	4.5
124.01540	2.8
135.04335	3.6
139.00285	5.5
139.03894	7.9
154.02612	3.4
155.14297	5.2
161.04445	6.8
169.05009	4.8
172.96635	2.3
174.99173	2.4
175.33896	2.5
181.26257	2.4
199.13359	17.3
217.00275	13.8
223.05940	2.7
225.14896	3.5
228.77766	2.5
279.23135	2.3
287.22232	21.6
288.22714	3.3
315.69189	2.4
329.10287	9.0
329.23462	6.1
387.20352	7.2
389.14893	3.4
405.08374	5.9
405.13318	28.2
405.21167	13.1
431.26563	14.1
447.22333	70.2
448.22693	7.9
449.17349	3.6
449.27518	29.8
450.28043	5.8
491.08798	4.0
491.28574	100.0
492.28946	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	491.2134
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
55.01756	1.3
57.03318	4.8
58.00462	0.7
59.01248	24.6
61.98703	0.4
68.99674	0.8
69.03323	0.7
69.41957	3.4
71.01252	26.3
72.99182	4.4
73.02824	2.6
73.47859	0.4
75.00745	30.1
75.86844	0.3
80.07042	0.4
83.01262	3.4
84.02058	0.4
85.02821	29.2
86.03134	0.6
87.00749	9.0
89.02320	8.2
93.03347	0.4
95.01266	4.0
96.95902	0.4
97.02849	0.7
99.00752	10.4
101.02325	7.1
103.00254	0.6
111.00751	1.3
112.01524	1.2
113.02330	28.4
114.02678	0.9
115.00248	2.4
117.01811	1.4
118.68673	0.4
119.03378	2.6
121.00582	0.5
128.71838	0.4
129.01854	0.8
131.03374	1.3
139.00172	0.4
148.65234	0.4
153.01833	0.9
157.01355	0.8
161.04410	0.8
173.04532	3.0
175.02406	3.0
181.04951	0.9
193.03471	0.6
215.05470	0.4
284.45822	0.4
287.22073	0.5
297.07443	0.5
299.05084	0.4
300.35535	0.4
329.10281	0.6
373.18741	0.6
417.15836	0.5
431.19156	0.5
431.26743	0.8
449.27371	0.7
473.20764	0.4
476.90683	0.5
491.21341	100.0
492.21634	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	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21959	0.5
55.01759	0.6
56.64363	0.5
57.03317	1.1
58.00465	1.3
59.01250	30.8
63.67009	0.5
69.03322	0.5
70.89468	1.5
71.01256	16.5
72.99171	1.9
73.02817	1.4
75.00745	0.5
83.01266	1.6
85.02820	3.9
89.02325	9.2
95.01272	1.2
96.95866	4.3
99.08032	1.2
101.02319	9.4
111.00729	0.6
113.02328	4.7
119.03399	3.3
119.79137	0.5
121.53751	0.5
125.09620	0.9
129.09093	1.3
131.81483	0.5
132.61162	0.5
135.04279	0.5
152.01131	0.5
156.35713	0.5
171.10136	1.3
171.73929	0.6
181.05040	0.6
183.13809	3.3
185.11726	1.2
193.12274	0.8
195.13872	0.6
197.11728	1.1
199.13324	1.2
211.11292	1.3
211.13321	25.2
212.13609	1.5
229.14388	2.1
237.04451	0.6
241.00218	1.1
271.91675	0.5
293.21249	7.6
294.21436	1.1
311.22437	5.2
313.03467	1.1
313.23807	2.3
329.06641	1.4
329.23325	15.2
330.23755	1.1
405.08228	1.1
447.09793	1.1
461.17950	1.1
473.17932	1.4
491.28595	100.0
492.28937	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	491.156
Annotation	Myrciacitrin II
Peak:m/z	Relative Intensity
59.01249	5.3
63.02238	0.5
65.00217	0.6
66.77326	0.2
70.98549	0.6
70.98919	0.4
71.01257	1.3
73.02843	0.3
73.43629	0.2
73.50057	0.2
79.95610	0.5
83.01258	0.4
85.02835	0.5
93.03336	8.0
94.03689	0.3
95.04900	0.4
96.95879	3.9
97.02855	0.3
101.02341	0.5
105.03325	2.6
106.03696	0.3
108.02032	0.3
109.02835	0.5
113.02322	0.3
119.04878	1.3
121.02841	1.9
122.03615	0.8
123.00761	0.5
124.01553	6.8
131.04893	0.3
134.03601	0.3
137.02367	1.3
137.05972	5.2
138.03133	6.1
139.03912	15.5
140.04195	0.6
147.04388	0.8
149.02362	0.8
149.05984	8.9
150.03108	0.6
150.06297	0.3
151.00272	1.1
152.01041	4.1
153.05478	13.1
154.05800	0.6
163.04062	0.3
165.01855	4.3
166.02640	7.0
167.02887	0.3
175.03925	10.6
176.04269	0.7
177.01830	0.9
178.02615	1.1
181.04982	100.0
182.05338	5.1
191.03369	0.3
192.04295	0.6
193.04990	5.1
194.05328	0.4
197.16824	0.3
207.06570	1.7
223.06206	0.4
224.03198	1.0
225.04265	0.7
241.00252	0.8
283.01340	0.3
287.09247	59.3
288.09558	5.8
311.09161	0.4
325.09143	0.4
329.10278	11.0
329.23358	0.4
330.10565	1.1
393.04572	0.3
405.08527	1.4
431.13388	4.7
432.13889	0.5
447.09430	0.7
449.14517	6.7
450.14905	0.8
491.15558	25.8
491.28262	1.6
492.15906	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	491.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53652	0.5
59.01245	9.5
59.70681	0.6
61.98694	1.3
62.06328	0.6
65.00191	0.8
69.41370	2.2
69.41799	2.2
71.01264	0.7
78.95773	1.7
96.95877	1.3
109.02824	0.9
109.99967	1.0
111.00760	1.5
113.02309	0.5
122.03582	0.6
123.50918	0.5
124.01566	1.4
136.01584	1.5
136.98705	1.5
139.00223	2.8
140.01077	8.8
152.01070	3.2
153.01826	6.4
165.99001	7.3
166.99744	0.9
168.00549	50.8
169.00899	2.1
173.05913	0.8
181.01332	7.9
227.07193	0.6
243.06599	16.1
244.06937	1.4
249.18584	1.6
250.18930	2.1
254.05878	4.2
255.06621	6.1
256.07236	0.7
271.06104	22.1
272.06885	100.0
273.07297	9.6
276.16916	2.7
286.08502	1.4
287.09250	90.2
288.09595	8.3
293.17630	6.8
294.17914	16.6
295.18298	0.8
299.36584	0.7
431.13495	1.9
491.15613	52.7
491.21875	2.5
492.16071	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	491.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13874	0.4
59.01249	5.6
71.01247	1.3
73.02809	0.6
75.28226	0.3
79.95614	4.4
80.96388	1.7
85.02816	0.5
87.00748	0.7
93.95083	0.3
94.97895	0.4
95.95116	0.8
96.95886	100.0
97.95826	0.4
98.20682	0.6
101.02343	1.2
103.00249	4.5
111.35327	0.3
113.02368	0.6
122.97479	0.7
133.53505	0.3
134.97459	1.6
138.96971	1.0
142.78127	0.3
148.05211	6.8
149.05486	0.4
150.96933	0.6
152.29300	0.3
152.98534	3.9
163.07527	3.8
164.98582	0.6
166.96490	0.4
180.98036	1.2
194.99661	0.5
222.99191	0.6
229.74266	0.4
231.24022	0.4
241.00201	25.9
242.00540	0.9
250.47064	0.3
272.88602	0.3
283.01309	3.6
405.08582	33.5
406.08957	3.9
430.85663	0.4
447.09634	20.3
448.09756	2.3
451.41483	0.4
454.99579	0.4
473.07458	1.1
479.51572	0.4
491.01514	0.7
491.08630	11.2
492.09006	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	491.1193
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
59.01244	5.2
69.03319	2.7
69.51504	1.1
69.51914	2.0
71.01242	2.3
78.18034	0.4
79.25819	0.4
81.03318	0.8
85.02818	2.8
89.03862	0.7
93.03329	1.3
95.01244	1.9
97.02818	1.2
98.20564	0.4
101.02319	0.8
105.35767	0.4
107.01277	0.9
107.04906	0.6
108.02050	69.8
109.01583	0.8
109.02856	21.4
110.03143	0.6
115.08626	1.2
117.03348	2.5
121.02837	11.6
123.00760	1.8
123.04398	2.0
125.02311	2.5
131.04900	1.2
132.02063	6.9
133.02867	4.6
134.03625	28.2
135.04466	2.8
137.02324	1.0
138.03101	7.0
146.05962	0.6
147.04436	1.0
148.05197	2.6
149.02345	0.6
149.06024	3.8
151.00256	1.8
152.01053	100.0
153.01845	36.0
153.02895	0.4
153.04289	0.7
153.05458	13.2
154.02165	1.6
154.05769	0.9
160.01566	31.7
161.02357	15.8
161.05833	0.4
162.02702	0.7
163.03879	1.3
165.01875	0.6
167.03381	0.7
175.03922	38.7
176.04265	1.5
177.01825	1.5
179.03400	2.7
192.04330	0.5
193.04973	13.8
207.06570	0.7
210.07596	1.1
220.32733	0.4
235.06194	0.6
243.06435	0.5
262.15594	0.5
297.06116	5.8
315.07254	2.7
315.10672	0.7
323.07697	9.1
324.08032	0.6
328.09479	0.6
329.10318	5.1
337.09171	1.7
345.68112	0.5
447.12729	0.7
491.11853	99.9
492.12207	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	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76475	1.2
59.01246	9.9
59.35613	1.0
61.98701	14.6
68.34679	1.0
69.03313	3.7
69.47504	2.4
69.47908	6.4
70.98415	1.1
71.01234	3.7
73.67066	0.9
85.02811	3.1
89.02303	1.1
95.01270	1.9
98.19873	2.5
98.33981	1.1
101.02339	2.2
101.12904	1.1
107.01355	1.2
108.02054	53.5
109.02840	21.6
110.03182	1.3
113.02297	2.2
117.03358	1.8
121.02851	1.2
125.02315	2.3
132.02032	3.0
133.02827	3.7
134.02666	1.8
134.03625	25.9
135.04445	2.0
137.02299	1.1
149.06003	2.4
151.00244	2.1
152.01054	100.0
153.01834	33.2
160.01569	26.3
161.02356	16.8
162.02643	1.4
175.03937	27.4
178.02545	1.5
179.03429	2.3
193.04991	15.0
194.05295	1.3
205.86458	1.1
207.13828	2.7
226.62338	1.3
251.12787	4.5
270.62289	1.2
273.01904	1.2
297.06091	3.6
315.07321	2.3
323.07745	5.4
337.09302	1.3
491.11887	93.8
492.12305	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	491.1558
Annotation	4,2'-Dihydroxy-3,4',6'-trimethoxychalcone 4-glucoside
Peak:m/z	Relative Intensity
57.03325	1.5
58.39144	0.8
59.01249	43.3
61.98696	2.7
69.03341	1.5
69.52718	6.6
71.01254	8.0
73.02819	2.7
74.02390	0.9
75.00735	3.4
76.97978	0.8
83.01249	1.4
85.02831	3.1
89.02319	2.6
93.03339	6.1
95.01255	1.5
96.00757	1.0
96.95892	1.7
97.02848	1.1
100.70914	1.0
101.02313	2.6
107.01287	1.8
108.02048	36.8
109.01602	2.7
109.02841	14.9
111.00749	0.9
113.02346	4.0
115.08627	2.5
117.03320	1.5
121.02843	64.5
122.03147	1.9
123.00756	1.9
123.04398	12.8
125.02333	8.3
131.04927	2.6
132.02061	4.3
133.02869	2.8
134.03624	16.7
135.04413	4.8
137.02350	2.7
138.03125	38.6
139.00304	1.4
146.05949	1.7
147.04401	4.5
148.05202	16.3
149.02335	5.6
149.05983	12.4
151.00313	2.8
152.01057	47.1
153.01883	18.2
153.05475	81.0
154.02588	1.8
154.05836	3.8
160.01561	22.5
161.02350	13.1
161.04466	2.1
163.03918	1.5
164.04628	2.3
165.01897	1.6
169.04961	1.7
174.52509	1.0
175.03918	100.0
176.01016	1.2
176.04227	5.6
177.01855	3.3
178.02597	1.7
179.03452	1.8
190.02626	3.6
191.03403	2.5
192.04280	1.6
193.04984	12.7
205.05042	2.9
207.06569	4.8
210.07611	3.2
223.06046	2.0
224.03178	2.1
254.92104	1.0
257.13086	1.0
262.15634	2.0
287.05588	3.9
297.06323	1.7
297.09894	1.8
323.07642	4.1
328.09534	5.1
329.10266	40.7
330.10599	4.0
337.09323	8.9
456.21448	2.2
473.23727	1.5
491.12064	44.4
491.27692	2.4
492.12524	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	490.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68710	0.4
56.70447	0.4
59.01247	0.4
63.92861	0.4
69.03333	0.5
71.04871	0.4
71.49942	0.3
72.99162	0.5
78.95770	4.7
81.83807	0.4
83.04891	0.4
96.94721	0.4
97.06495	0.6
112.89890	0.4
113.09646	0.8
123.63210	0.5
125.09595	0.6
139.11194	2.7
140.01060	1.0
152.99466	2.5
153.12753	1.0
191.17986	2.6
196.03720	1.7
224.14128	0.9
225.24837	0.4
244.74107	0.4
247.20525	2.6
248.21072	0.5
275.20026	0.4
291.19699	0.6
293.21219	100.0
294.21542	9.7
471.34030	2.5
472.34320	2.5
489.34930	17.5
490.25989	1.4
490.35233	16.4
491.24869	0.7
491.35660	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	490.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.6
59.01254	3.5
59.54406	0.6
60.08217	0.5
61.98690	0.7
69.36277	4.7
78.95779	15.5
96.96844	1.1
106.96867	0.8
113.09606	12.4
121.10114	2.2
131.69662	0.7
139.11153	1.5
140.01088	4.0
152.99455	3.3
167.10641	2.0
171.00543	1.5
171.10193	6.8
179.10641	2.1
183.13840	0.8
195.13840	1.9
196.03671	1.5
214.04799	5.1
231.21228	0.8
249.22238	1.8
275.20135	8.5
293.21216	100.0
294.21518	11.3
490.25769	24.2
491.26013	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	490.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00998	2.0
59.01247	20.5
61.98693	3.6
71.49756	1.9
72.13937	1.7
78.95774	50.3
121.10110	18.7
122.00092	2.5
125.42632	2.0
135.04530	2.0
140.01091	12.5
152.99477	3.8
155.52815	1.7
155.54164	2.4
171.08777	3.6
171.10178	55.1
196.03737	26.0
206.60941	2.1
214.04793	4.9
216.78284	1.8
231.21111	2.6
266.09830	1.9
275.20129	71.7
276.20465	7.2
293.21216	57.5
294.21603	4.8
302.05396	1.9
385.70013	2.1
490.25754	100.0
491.26157	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	490.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.4
61.98705	1.4
71.01245	0.9
74.49903	0.5
78.95779	6.5
85.57933	0.5
95.59655	0.5
96.95857	0.6
109.02842	0.6
113.80376	0.5
121.02834	3.2
122.03636	2.9
124.55666	0.5
125.65703	0.5
136.05188	1.2
139.00317	0.6
140.01074	3.8
152.99510	0.7
153.01773	1.4
164.08281	0.8
165.98994	2.0
168.00549	11.0
168.04219	1.5
168.92223	0.5
174.04480	0.6
181.01360	1.7
196.03780	1.0
214.04785	4.5
231.17482	1.3
233.15392	0.8
243.06555	2.6
249.18576	18.1
250.18889	2.3
254.05843	0.8
255.06552	1.2
255.26053	0.5
271.06113	4.3
272.06900	23.4
275.16553	17.1
276.16867	1.6
287.09259	18.4
293.17590	100.0
294.17896	10.0
333.79849	0.6
366.03745	0.6
405.08527	0.6
431.13675	0.7
490.22031	12.7
491.15649	12.9
491.22299	1.7
495.64963	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	490.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.4
57.03053	1.6
57.03321	17.7
58.00451	1.6
58.03658	1.4
59.00954	1.7
59.01249	26.1
60.01565	1.2
67.01751	2.3
68.99707	1.5
69.03325	5.8
70.05005	1.1
71.01254	76.4
71.49801	1.9
72.01575	5.7
72.99168	1.8
73.02817	11.2
81.03340	1.3
81.63255	1.0
83.00810	2.0
83.01259	20.5
84.02033	2.2
85.02823	69.1
85.99958	2.7
86.03137	6.8
87.00755	6.8
89.02315	8.2
93.98703	1.0
95.01260	17.4
96.01622	1.8
96.95891	3.4
97.02840	6.1
99.00761	9.7
101.02328	18.1
102.02660	2.0
106.87091	1.1
111.00758	1.9
111.08025	1.4
112.01540	4.8
113.02333	83.0
113.09612	1.1
114.02645	7.9
119.03349	2.8
119.04916	2.3
121.02840	2.7
124.01529	3.6
125.02343	6.8
127.11173	8.1
134.03654	2.8
135.04370	1.8
136.07558	1.1
137.09604	2.0
143.03380	7.6
144.03719	1.7
145.02824	2.0
146.03595	1.8
147.04384	3.3
148.05084	1.5
149.05933	3.9
155.10670	2.3
159.04361	1.6
161.04451	12.4
161.05965	3.8
162.06732	4.6
163.03868	1.3
163.07600	1.4
169.12280	1.3
171.10155	1.4
171.13835	7.4
175.03908	1.8
176.08337	2.0
180.06543	3.5
185.15443	1.2
189.05479	1.2
190.04938	1.4
191.05635	1.3
192.06534	3.7
202.05077	1.1
204.06569	2.0
211.13354	2.1
223.07626	1.9
229.14474	5.4
233.06110	1.8
235.07521	1.6
237.05232	1.2
238.99655	1.2
239.07045	2.3
241.00294	1.6
249.05486	2.1
250.06404	1.6
251.07195	5.5
263.07172	2.1
264.07864	2.4
265.21805	1.8
266.08267	1.5
267.06528	7.3
268.07263	2.6
275.07230	2.1
276.07819	2.6
277.05408	1.4
279.06540	4.6
279.23318	1.8
280.07190	1.4
281.08209	2.4
282.09067	7.0
283.09665	4.6
283.22861	1.3
287.13855	3.2
293.04901	1.6
293.08130	6.2
293.21350	1.4
294.08337	2.1
296.10556	6.7
297.08044	2.5
297.11295	10.1
297.24338	1.5
299.25900	14.2
300.26218	6.8
306.07828	2.0
308.10349	4.4
309.11084	1.3
322.07211	1.4
323.08072	3.0
326.13892	2.4
327.11984	1.8
327.14490	1.6
327.29083	2.5
329.23340	3.5
338.10449	6.1
339.10751	1.6
343.28577	1.6
345.30081	29.8
346.30435	14.0
354.13403	2.5
388.31454	1.3
414.13443	6.2
415.13541	1.4
426.13467	2.0
430.12897	13.3
431.13315	2.5
431.26584	1.7
440.14999	4.1
441.31851	1.5
442.12906	45.8
442.88907	1.3
443.13284	5.0
445.15356	7.2
446.16150	1.4
449.27325	1.7
457.08923	1.7
457.15317	29.9
458.15567	4.1
460.11346	2.4
460.17651	44.0
460.33566	1.4
461.18030	4.3
472.17648	90.0
473.17963	15.0
489.34314	93.7
490.19406	7.4
490.28021	8.4
490.34622	100.0
491.28589	23.3
491.34839	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	490.1722
Annotation	Demethylisoalangiside
Peak:m/z	Relative Intensity
59.01245	4.4
66.95103	2.3
67.99649	2.2
71.01243	2.2
71.49069	2.1
76.71408	2.3
79.95596	5.0
80.15483	2.2
83.65068	2.1
95.95125	4.3
96.95889	43.5
117.03307	2.8
119.04911	11.1
121.02876	2.6
133.02823	4.9
133.05231	43.8
134.03635	10.8
135.04448	5.9
138.03075	2.3
145.02832	9.1
149.04810	5.0
149.05984	8.8
160.01563	7.9
160.03963	3.4
161.02354	83.5
162.02681	4.6
167.03529	2.9
175.03941	7.2
234.07646	2.7
242.03249	3.1
246.06805	3.0
252.07968	4.8
289.04132	3.4
295.08517	12.0
297.03613	37.6
297.53955	3.1
310.10867	100.0
311.11243	9.8
317.60223	3.0
328.11929	83.7
329.12207	7.5
346.56314	2.7
491.11887	4.5
514.72028	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	490.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04542	0.3
59.01250	7.9
60.01588	0.5
61.98702	1.6
69.03328	1.3
70.03636	0.3
71.01250	2.0
73.02438	0.3
73.02824	1.1
78.04293	0.3
83.01248	0.3
85.02844	0.5
89.02324	0.7
91.05411	0.3
96.95913	0.4
99.00749	0.5
101.02319	1.6
107.04202	0.3
107.04916	1.2
108.02071	0.4
111.70252	0.3
113.02316	0.6
120.01098	0.3
122.03639	0.7
123.04415	3.2
125.02314	0.4
130.08641	0.5
133.02841	1.2
134.03633	9.3
134.04668	0.6
135.04419	22.8
135.87904	0.3
136.03853	0.5
136.04764	1.2
137.02312	0.5
147.04436	1.1
148.05205	21.6
149.04686	1.4
149.05954	5.9
150.06351	0.5
150.73627	0.4
151.06291	0.8
152.07076	8.1
153.07417	0.6
160.01628	1.9
161.02371	3.0
166.08589	0.8
167.03345	0.7
175.02502	0.6
175.03908	5.4
176.03426	0.9
177.04224	1.6
178.05014	25.9
179.05399	1.4
185.00890	0.6
190.05032	6.5
191.05446	0.6
192.06610	1.2
194.08116	0.5
204.06567	0.6
269.08002	0.5
281.09418	0.4
297.51984	0.4
298.53586	0.3
313.09628	2.2
323.07642	0.4
328.11893	100.0
329.12247	10.4
329.15970	0.3
387.20071	0.4
490.17538	2.6
490.24301	0.5
491.16919	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	489.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34508	0.3
56.12339	0.3
59.01248	100.0
60.01595	0.8
69.43200	1.1
69.43633	1.4
71.01250	1.1
71.14944	0.3
73.60482	0.3
86.54146	0.3
89.02323	0.8
101.02331	0.9
134.03624	0.7
135.04422	1.7
148.03880	0.3
148.05206	1.4
149.05963	0.5
152.07092	0.6
161.02380	0.6
161.04427	0.3
175.03897	0.3
178.04979	1.6
189.12578	0.4
190.05006	0.4
229.50165	0.3
230.71912	0.4
328.11862	9.2
371.10965	0.3
387.20328	0.4
469.79767	0.3
488.31033	0.7
489.24228	0.7
489.30319	20.9
490.17163	0.4
490.30338	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85801	0.2
54.82255	0.2
57.03327	0.8
59.01248	100.0
59.78217	0.2
60.01581	1.0
60.44575	0.2
60.61954	0.2
71.01250	3.7
71.29554	0.6
73.02825	0.8
83.01260	1.0
85.02814	2.7
87.00751	0.2
88.71732	0.2
95.01263	0.7
97.02835	0.5
101.02316	1.4
112.01523	0.3
113.02319	2.4
121.02899	0.4
124.01553	0.5
125.02348	0.5
132.51727	0.3
143.03381	0.7
161.04485	0.9
171.13759	0.3
181.06552	0.3
198.62302	0.3
209.19077	0.4
219.11824	0.3
249.18423	0.4
267.19601	0.5
285.20795	0.3
299.26010	0.5
317.45886	0.3
345.30066	1.8
356.94934	0.3
377.62766	0.2
387.20285	0.3
429.24829	2.3
447.25644	0.2
471.25885	1.8
472.26389	0.3
489.27228	0.7
489.34225	6.6
490.34375	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	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80867	0.3
57.03305	1.2
58.00452	1.5
59.01249	44.4
60.01581	0.5
61.98666	0.5
69.03320	0.4
71.01253	18.7
71.05010	0.7
72.01559	0.5
72.99182	2.4
73.02812	1.0
79.95605	0.7
80.96382	0.3
81.03346	0.6
83.01271	2.0
85.02830	4.7
87.00781	0.5
89.02316	14.1
95.01252	1.3
96.95872	3.8
97.02832	0.7
99.00747	0.6
101.02324	9.0
109.02907	0.4
113.02329	7.1
119.03393	4.5
125.02343	3.8
125.09605	1.1
131.03375	0.4
143.03389	0.6
147.04419	0.5
153.13785	0.4
158.60033	0.4
163.11154	0.7
164.07010	0.7
165.12761	2.1
171.10193	1.0
179.14252	0.5
181.12373	0.5
183.13802	0.6
193.15974	0.6
209.11713	0.8
211.13353	1.6
223.13303	0.7
227.12929	0.5
229.14380	1.2
236.83470	0.4
247.20625	1.7
273.18582	0.8
285.07678	1.4
291.19641	12.7
292.19983	0.9
309.20718	8.6
310.21121	0.8
321.09058	0.5
327.21701	3.4
397.90323	0.6
403.07346	0.5
429.25070	0.9
447.25580	0.7
466.34363	0.4
489.27014	100.0
490.27475	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	489.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55653	0.2
59.01248	100.0
60.01575	1.2
68.64658	0.2
69.03340	0.2
69.61499	0.9
69.61907	0.3
71.01251	1.1
73.02827	0.4
74.64872	0.2
78.77831	0.2
85.02818	0.3
89.02327	0.5
91.22800	0.2
96.95929	0.3
101.02296	0.8
113.02359	0.4
116.07059	0.2
117.88043	0.2
119.04925	0.4
128.03604	0.2
134.03668	0.2
135.04407	0.4
161.02417	0.2
161.04515	0.2
167.62201	0.2
189.12851	0.3
328.11935	1.6
333.73563	0.2
358.00952	0.2
381.78259	0.2
387.20477	0.5
398.46112	0.2
429.21323	0.2
489.23984	0.6
504.15848	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	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52439	0.3
59.01251	100.0
60.01599	1.0
61.39155	0.3
61.98695	0.5
69.03343	0.8
71.01256	2.7
71.49252	0.4
73.02814	2.4
81.53276	0.3
83.01279	0.9
85.02875	0.6
87.00766	0.7
88.40029	0.3
88.85468	0.4
89.02320	0.9
95.01283	0.4
96.95892	0.6
101.02333	2.6
107.01251	0.3
111.03156	0.4
113.02338	1.1
115.00278	1.1
119.03346	0.4
131.03413	0.4
135.04414	0.4
147.03087	0.3
149.04462	0.9
161.02390	0.4
161.04469	1.1
168.13686	0.3
175.02460	1.4
227.03494	1.1
239.37766	0.3
255.02928	2.0
284.03165	2.3
285.04117	2.0
318.58264	0.4
354.43216	0.4
489.10443	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	489.104
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01248	3.2
63.02269	14.7
64.02589	0.7
65.00194	9.5
67.54325	0.4
68.99695	0.4
70.12537	1.6
76.26418	0.4
83.01254	13.2
85.02818	0.4
85.31325	0.4
93.03341	1.4
95.01272	2.4
97.02850	0.6
97.48312	0.4
103.83891	0.4
107.01270	29.7
108.02049	1.3
109.02840	0.6
110.31168	0.3
117.03378	0.4
119.01287	0.7
119.04895	0.4
121.02833	0.5
122.06021	0.5
123.00788	2.0
123.04435	2.1
124.01603	0.7
132.02072	1.9
133.02852	1.1
135.00772	1.0
136.01625	0.6
137.02342	1.0
139.03922	1.2
143.04892	1.5
145.02905	0.9
147.04437	0.6
149.99509	1.0
151.00276	61.2
152.00627	2.3
157.06473	0.4
158.05246	0.4
161.05984	0.6
163.00293	4.2
164.01065	4.9
165.01768	1.4
169.01332	12.3
169.06430	0.5
170.01718	0.5
171.04427	1.0
175.00334	0.9
175.03828	0.6
175.59491	0.4
185.06015	3.8
190.99724	0.6
192.00571	0.9
193.01317	1.0
195.04459	0.4
197.06042	0.7
199.03928	1.2
200.04616	0.6
201.05496	0.5
205.01414	1.1
211.04071	1.0
212.04617	0.9
213.05530	4.9
214.05888	0.5
227.03482	1.6
228.04201	1.0
229.04991	5.5
239.03386	0.7
240.04251	1.6
241.05067	3.1
255.02927	1.7
256.03604	0.9
257.04529	19.3
258.04977	0.7
267.36710	0.4
269.04581	1.1
270.05173	0.5
271.06061	0.4
281.09106	0.6
283.02460	1.2
284.03253	44.3
285.04025	76.9
286.04395	5.9
297.04077	1.0
298.04660	0.6
299.05469	0.7
319.11099	0.5
327.05057	1.4
489.10367	100.0
490.10724	14.3
490.16937	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	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67595	1.1
59.01254	21.7
67.75684	1.3
71.01252	16.3
71.49155	1.8
73.02822	2.7
85.02815	4.8
86.80482	1.4
89.02308	10.7
96.95885	1.9
101.02333	7.7
113.02320	4.7
117.03366	2.2
119.03382	2.6
119.77551	1.2
122.10680	1.4
132.02080	13.3
133.02881	3.2
134.03630	47.7
135.04381	2.1
136.01538	1.4
145.06097	1.4
147.04419	3.7
149.05998	6.5
151.03961	2.0
151.06033	4.8
158.03683	2.4
160.01564	83.3
161.02074	3.9
173.05959	3.2
175.03922	100.0
176.04625	12.5
177.01845	2.1
178.02597	4.9
191.07071	18.9
192.04120	1.8
193.04999	82.6
194.05351	3.4
207.06535	7.2
220.03833	1.5
235.06073	71.5
236.06461	5.3
256.69742	1.3
265.07172	13.9
295.08176	17.4
313.11755	1.5
337.09143	3.1
355.10153	6.3
489.16177	93.6
490.16489	11.7
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
55.14143	0.2
59.01250	59.1
60.01584	0.7
63.02275	0.7
63.14615	0.2
65.00211	0.6
67.23348	0.2
73.02824	0.3
74.79631	0.2
75.00727	0.2
83.01269	0.5
85.02839	0.3
88.89821	0.2
89.02327	0.5
91.01814	0.3
93.03329	1.2
95.01270	0.2
98.74045	0.2
101.02309	1.0
107.01269	2.0
108.02071	0.3
109.02863	0.6
111.98884	0.2
113.02361	0.6
117.03364	0.4
120.02202	0.2
121.02834	0.2
131.04936	0.3
132.02045	1.5
135.00745	1.9
135.04428	0.5
137.02286	0.3
141.07059	0.3
143.04915	0.9
145.02905	0.6
151.00258	1.8
153.01848	0.7
154.73846	0.2
155.04973	0.2
156.05780	0.2
157.06509	0.7
158.03627	0.3
159.04453	1.1
160.15558	0.2
161.02332	0.6
161.04488	0.4
163.00290	2.4
164.00980	0.6
165.01849	0.4
167.04886	0.7
169.01422	0.3
169.06500	0.7
171.04433	0.8
175.03935	0.3
179.58339	0.2
182.03703	0.2
183.04446	0.9
184.05231	0.2
185.02359	0.7
185.06023	2.1
187.03925	2.3
188.04262	0.4
189.05490	0.6
189.93033	0.2
190.99875	0.4
195.04466	0.8
196.05247	0.5
197.06000	0.8
199.03943	1.4
200.04697	0.7
201.05537	0.8
209.00786	0.3
211.03960	2.8
212.04478	0.3
213.01868	0.3
213.05537	1.8
214.02599	0.4
215.03505	0.2
223.03818	0.3
227.03455	33.5
228.03824	3.3
229.05008	9.5
230.05386	0.8
239.03499	1.6
240.04198	0.7
241.04916	1.2
255.02974	74.1
256.03430	8.8
257.04523	5.9
258.04907	0.6
267.02954	0.9
268.03644	0.2
283.02591	0.7
284.03262	87.6
285.03998	100.0
286.01196	0.5
286.04388	8.9
327.04935	0.6
429.21240	0.4
489.10358	35.0
490.10760	6.1
490.18149	0.3
490.26144	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	489.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.0
65.00188	0.6
67.78391	0.3
69.19058	3.0
71.01265	1.2
73.02814	0.3
74.57739	0.3
79.95609	0.5
85.02833	0.6
85.03613	0.3
89.02343	0.7
93.03355	1.0
96.95891	0.7
97.02840	0.6
101.02368	0.3
113.02367	0.4
119.04913	4.9
165.01834	4.7
179.08797	0.3
204.51277	0.3
285.07687	7.5
286.08148	1.0
385.68170	0.3
442.18622	0.3
489.27765	0.4
489.34283	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	487.3431
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.12109	0.4
59.01261	2.7
61.98693	0.8
62.05001	0.4
66.56266	0.4
70.76128	1.0
78.95760	0.6
80.38193	0.4
92.85841	0.4
98.78983	0.5
116.05028	0.5
142.63150	0.4
188.24205	0.5
263.20145	3.2
355.62057	0.5
487.34299	100.0
488.34637	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Yardenone
Peak:m/z	Relative Intensity
51.83171	0.7
59.01238	2.6
62.04386	0.9
69.45451	6.2
85.01625	0.9
88.87582	0.8
92.04906	1.1
98.20629	1.4
119.51687	0.9
139.94360	0.8
147.03171	14.2
148.03949	19.6
182.78697	1.0
198.05559	1.1
228.10207	2.0
236.07178	8.1
308.16559	9.7
326.17615	20.1
337.92108	1.0
487.34299	100.0
488.23212	7.4
488.34546	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38142	0.8
61.98694	1.5
62.80998	0.8
71.49430	1.2
71.49820	1.0
88.08102	0.7
92.04928	2.7
97.09513	0.9
120.04433	2.1
130.02855	2.4
131.03653	1.2
147.03159	60.7
148.03941	100.0
149.04283	4.2
160.03960	1.7
161.04683	1.1
167.28703	0.8
176.03503	1.0
185.04729	1.8
198.05548	4.9
199.06229	1.8
201.07870	1.0
228.10234	13.8
235.06302	1.9
236.07117	17.3
237.07629	1.5
265.10980	1.0
286.52158	1.1
304.77719	0.9
306.15033	1.1
308.16547	35.7
309.16812	4.0
310.09109	1.9
326.17593	75.6
327.17886	7.3
343.13934	0.9
487.34241	15.7
488.23340	24.1
488.34570	75.8
489.23175	3.6
489.34720	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	489.1037
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
56.80079	0.3
57.13015	0.3
59.00956	0.5
59.01248	10.7
61.16267	0.3
62.35191	0.3
63.02254	0.8
65.00192	0.7
75.20464	0.3
83.01284	0.4
93.03320	1.4
98.19829	0.6
107.01254	2.2
108.02067	0.4
109.02830	0.5
117.03351	0.4
132.02075	1.5
135.00755	2.0
143.04913	1.1
145.02843	0.4
151.00294	1.8
153.01764	0.5
155.04974	0.6
157.06456	0.6
158.03593	0.5
159.04430	1.2
163.00275	2.3
164.01086	0.8
167.04945	0.8
169.06548	0.7
171.04384	0.8
174.03169	0.3
182.03590	0.3
183.04425	1.0
185.02344	0.4
185.05998	1.8
187.03893	3.0
189.05475	0.8
195.04445	1.1
196.05147	0.4
197.06027	0.8
198.44965	0.3
199.03946	1.3
200.04724	0.5
201.05516	0.5
211.03941	3.0
212.04517	0.3
213.05469	1.6
214.02483	0.3
215.03380	0.5
227.03436	36.4
228.03815	2.4
229.04988	9.7
230.05374	0.9
239.03397	2.2
240.04060	0.9
241.04980	1.3
255.02953	74.2
256.03427	8.0
257.04556	5.2
258.04941	0.6
267.03009	1.2
283.02469	0.8
283.96729	0.7
284.03247	84.9
285.03989	100.0
286.01233	0.5
286.04382	8.2
327.05078	0.6
447.09357	0.4
476.40656	0.3
489.10358	37.4
490.10672	5.1
496.83365	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58835	0.5
59.01250	100.0
60.01568	0.6
61.98720	1.4
64.98810	0.5
69.03339	0.9
69.63827	0.5
70.78719	0.8
70.79059	1.0
71.01248	9.8
72.99197	0.9
73.02813	8.5
75.00778	0.8
78.95770	0.6
82.02860	0.5
83.01263	2.6
85.02834	2.4
85.49265	0.6
87.00770	1.7
89.02318	3.4
90.33324	0.6
92.35456	0.5
93.03362	0.8
96.95864	4.4
97.02832	0.8
98.95465	1.2
99.00772	1.1
101.02325	10.7
113.02343	4.0
117.03343	0.8
119.03544	1.6
119.04918	60.3
120.05283	2.4
128.03467	0.6
131.03459	0.9
132.02112	0.7
133.02849	5.6
134.03636	2.8
135.04428	2.9
141.01859	0.9
143.03429	1.3
145.02895	3.2
146.05977	0.6
149.04550	1.0
149.06015	3.2
161.02361	21.1
161.04364	2.8
161.05899	0.6
161.09708	1.1
162.02756	1.0
163.03918	41.4
164.04272	1.9
179.03452	2.4
179.05573	1.1
187.11171	4.1
190.09879	1.1
204.11557	0.9
205.12276	4.9
233.11850	2.0
259.13440	1.6
277.14523	1.7
283.19226	0.7
298.10919	0.6
301.20386	0.9
323.07712	19.0
324.02719	1.4
324.08325	1.2
325.03610	1.1
376.32181	0.6
379.88751	0.6
405.08774	0.6
407.08627	1.0
445.24271	1.0
487.12650	9.6
487.18839	2.5
487.25943	2.7
488.12799	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
69.61374	3.7
69.61785	1.9
71.01255	13.7
71.09963	0.9
72.80138	0.8
72.99168	1.5
73.02818	11.9
83.01254	4.4
85.02820	3.1
87.00768	1.6
88.03900	1.3
89.02314	5.5
95.01216	1.0
96.95901	3.5
98.20605	0.8
101.01708	1.2
101.02316	13.9
113.02339	5.0
119.03390	2.6
119.04902	7.0
125.02346	1.0
131.03413	1.5
133.02824	3.6
135.04416	3.3
143.03329	1.2
145.02876	1.1
149.04457	1.7
161.02370	10.7
161.04387	3.6
161.09750	0.9
162.02676	0.7
163.03897	4.3
163.07487	0.9
179.03404	2.4
179.05516	1.0
187.11191	4.3
189.09128	1.1
190.09921	1.0
204.11394	1.7
205.12216	8.8
221.40700	0.7
233.11771	4.1
241.00122	1.9
259.13403	1.9
277.14423	1.5
323.07721	4.3
383.43701	0.8
407.08124	1.1
487.12427	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	486.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
57.03308	0.3
58.00456	0.4
59.01250	6.0
61.98722	0.2
69.43733	1.2
70.22719	0.2
71.01252	4.4
72.99165	0.4
73.02815	1.0
83.01254	0.9
85.02824	2.0
85.97399	0.2
85.99953	0.3
87.00747	0.3
89.02317	1.3
95.01266	0.3
99.00753	0.5
101.02315	2.4
111.00741	0.2
113.02340	1.1
119.03380	0.2
128.10699	0.3
130.08629	100.0
131.08186	0.2
131.08987	2.8
137.33263	0.2
144.87047	0.2
147.36980	0.2
155.21973	0.1
209.98489	0.2
248.72221	0.2
262.21820	0.3
280.22778	0.5
306.20917	0.2
324.21844	0.4
468.26071	0.5
486.27066	81.6
487.27380	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	486.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14230	0.2
55.01753	0.5
57.03316	0.5
59.01252	6.7
61.98701	0.2
69.03291	0.3
69.25017	0.5
69.25423	2.0
70.46767	0.3
71.01256	3.4
72.99184	0.2
73.02817	1.2
76.78442	0.3
83.01256	0.7
85.02821	2.3
85.99945	0.3
89.02333	0.3
95.01234	0.3
97.02813	0.3
99.00738	0.4
101.02310	1.9
102.02657	0.2
102.85545	0.3
109.66981	0.2
113.02338	1.4
128.10771	0.3
130.08627	100.0
131.08975	3.4
401.97635	0.3
463.29361	0.3
486.27066	62.1
487.27371	8.7
487.33582	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	487.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20568	0.2
54.42935	0.2
59.01252	5.8
60.22411	0.2
69.03314	0.3
70.88361	0.3
70.88684	0.2
71.01250	0.9
73.02816	0.4
81.11458	0.2
83.01238	0.3
85.02805	0.4
88.98878	0.2
93.03315	0.6
96.95909	1.1
97.02797	0.3
97.38528	0.2
98.95473	0.5
99.00739	0.3
101.02320	0.6
111.04345	0.2
113.02338	0.6
113.03464	0.4
117.03352	0.3
119.04915	100.0
120.05241	4.3
132.02112	0.3
133.02847	8.8
134.03571	0.6
135.04425	4.1
136.04765	0.3
137.02351	0.3
140.26416	0.2
141.01886	0.2
145.02853	0.5
149.05989	0.5
161.02348	33.9
162.02689	1.9
163.03917	64.7
164.04231	2.7
175.03903	0.7
177.05440	0.3
179.03412	3.8
180.03722	0.2
185.00838	0.2
203.03391	1.5
241.00197	0.5
242.99911	0.4
301.20258	0.2
323.07700	28.6
324.02701	1.2
324.08093	2.3
325.03516	0.8
369.93359	0.2
400.70224	0.2
405.08670	0.2
407.08734	0.6
434.15195	0.2
487.12540	15.8
488.12784	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	485.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.6
59.01253	5.2
67.01759	2.0
71.49820	0.6
78.22515	0.4
78.95795	0.8
85.02829	1.3
87.00754	7.8
101.97388	0.4
111.00764	100.0
112.01087	2.7
154.99779	0.4
173.00826	6.9
184.17389	0.4
304.20389	0.5
311.22238	1.7
367.38358	0.4
477.72012	0.5
485.24258	1.1
485.33087	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	485.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01588	1.0
61.98706	0.4
70.63476	1.1
78.95763	0.5
85.02816	0.5
111.00784	1.6
148.84177	0.5
151.60161	0.5
162.70534	0.4
213.01021	0.5
439.32300	1.1
446.97214	0.6
485.32767	13.8
485.39291	0.9
486.33279	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	486.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72851	0.4
57.52711	0.5
59.01258	3.9
61.98713	0.8
69.03330	3.6
71.01270	1.1
92.04939	2.0
97.02798	0.4
99.00793	1.0
108.50496	0.4
120.04479	1.6
130.02890	1.3
130.08606	2.5
131.03679	0.8
132.02072	14.3
147.03163	1.9
148.03947	53.3
149.04330	2.5
160.01572	70.8
161.02019	3.8
175.03925	100.0
176.04242	6.1
185.00772	2.5
324.08755	66.9
325.09064	6.4
325.12546	0.7
486.14151	4.6
486.27136	2.1
487.25565	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	486.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73810	0.4
56.75132	0.3
57.17523	0.3
59.01248	2.2
61.98702	100.0
69.37856	0.9
69.38271	2.3
71.01250	1.0
97.33845	0.4
101.02367	0.5
235.24586	0.5
294.19025	0.4
413.43524	0.4
424.22433	0.6
425.22885	0.5
426.23001	2.2
487.25867	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	486.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33421	0.8
69.33762	6.8
69.59301	0.8
70.73453	0.8
75.03067	0.7
88.03915	56.7
95.52120	0.7
96.95865	1.0
98.19775	0.8
147.08034	1.7
149.09598	1.2
161.09587	0.9
163.11215	3.3
171.04036	0.8
187.11227	2.3
192.07861	0.9
219.63838	0.8
255.61855	0.8
279.13901	1.4
280.14639	1.4
282.50275	0.8
309.22324	2.4
324.60544	0.7
337.21707	100.0
338.22040	11.8
448.56177	0.9
486.26834	11.1
486.33444	0.7
487.27045	2.1
487.34003	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	485.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19683	1.4
59.01251	32.5
69.03351	1.7
69.20963	1.1
69.21252	14.2
71.01252	20.8
72.99178	1.7
73.02819	23.0
75.00729	2.0
79.95575	1.5
83.01248	6.5
83.04889	4.7
85.02824	3.2
85.42719	1.4
89.02317	5.6
93.06976	3.7
96.95898	16.8
98.20596	3.4
101.02328	15.3
111.00757	1.6
113.02309	3.1
113.10479	1.5
119.04897	2.8
128.03427	2.0
130.08640	2.9
133.10117	4.1
134.03644	2.1
141.67348	1.5
143.03442	1.5
143.04816	1.5
145.02831	6.0
145.06429	5.7
157.10159	1.5
159.08035	5.0
160.01567	2.4
160.08844	46.7
161.02377	2.8
161.04482	1.7
161.09203	2.9
162.72534	1.3
171.00072	1.5
172.10831	1.6
173.09677	8.2
175.03857	4.6
175.11197	85.9
176.11577	3.4
193.04921	1.6
219.10214	100.0
220.10562	8.3
225.85287	1.3
242.55592	1.3
263.12921	1.9
274.67224	1.6
309.11743	1.8
332.99341	1.5
399.16574	13.8
400.17020	1.5
441.17621	22.5
442.17838	2.4
500.19681	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	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27541	0.9
58.00463	1.5
59.01252	40.5
68.09293	1.1
69.03307	1.6
69.16122	8.1
71.01255	25.2
72.99180	1.6
73.02818	26.6
75.00745	1.2
82.23658	0.8
83.01250	9.4
83.04906	4.9
83.86374	0.8
85.02803	1.9
89.02325	4.9
91.05403	1.1
93.06992	2.9
93.50331	0.8
95.01285	1.3
96.95881	2.6
97.60867	0.8
98.20557	2.3
99.00778	1.1
101.02325	18.0
109.02814	1.0
113.02313	4.9
119.03450	0.8
119.04918	3.7
123.05170	1.0
128.03429	3.6
128.52635	0.8
130.08617	4.7
131.03436	1.1
133.10104	5.4
145.02861	1.3
145.06479	7.9
157.10164	1.8
158.07265	2.2
159.08025	5.4
160.08846	50.6
161.02376	1.7
161.04437	2.1
161.09181	3.4
173.09595	8.5
175.03870	1.4
175.09599	2.2
175.11198	94.3
176.11537	5.2
219.10214	100.0
220.10587	5.6
270.21829	1.1
282.11325	1.5
355.27258	1.4
397.24496	3.6
399.16568	10.6
441.17654	35.0
442.17996	4.2
485.16782	1.7
485.31024	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	485.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
59.01243	1.3
61.98708	0.5
67.01756	2.1
69.16370	0.4
69.44800	3.2
77.33392	0.5
79.75068	0.4
85.02826	0.6
87.00755	6.7
111.00766	100.0
112.01110	2.9
152.99490	0.4
164.28331	0.4
173.00850	6.3
203.88313	0.4
227.98901	0.4
311.22244	0.7
485.32712	14.5
486.32935	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23941	0.3
71.08640	0.7
71.08975	0.6
71.22086	0.4
73.31772	0.3
78.95776	7.9
96.96819	0.8
102.46889	0.3
152.99487	14.3
153.99890	0.6
171.00546	1.1
207.00117	0.4
227.03221	2.8
245.04260	1.3
245.85632	0.3
255.23262	100.0
256.23608	10.2
483.27246	27.1
484.27533	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	484.2552
Annotation	Mesaconine
Peak:m/z	Relative Intensity
55.01739	0.5
55.72594	0.3
58.00463	0.5
59.01250	9.0
60.01554	0.5
68.55262	0.3
69.32999	1.4
69.33431	1.6
71.01253	5.0
72.99170	0.4
73.02808	0.6
78.95753	1.9
83.01263	0.7
85.02837	2.0
89.02313	2.5
95.01263	0.3
96.95889	1.9
96.96845	0.6
98.19799	0.6
99.00773	0.4
101.02332	2.6
113.02351	1.5
119.03394	0.6
121.02837	0.3
128.03423	0.7
128.10709	0.5
130.08635	100.0
131.08977	3.1
145.06136	0.3
152.99487	2.6
153.99847	0.5
161.02373	0.3
234.92084	0.3
283.01236	2.0
304.19217	5.9
305.19455	0.5
343.78339	0.3
381.13889	0.4
484.25500	75.7
485.25809	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	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
59.01251	1.2
63.74671	0.1
67.01759	2.3
68.76070	0.1
69.63683	0.1
70.06632	0.6
83.01255	0.3
85.02828	0.4
85.55276	0.2
87.00746	5.0
111.00761	100.0
112.01093	2.2
142.71536	0.1
152.99510	0.2
154.99765	0.4
173.00816	7.2
174.01212	0.2
282.89606	0.2
291.19675	0.3
309.20746	0.7
483.22253	0.4
483.31082	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	483.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
59.01250	100.0
60.01590	1.1
61.98700	0.9
67.01759	0.7
71.50952	0.7
78.95757	0.4
83.01233	0.4
85.02846	0.4
96.95908	0.4
111.00767	18.9
112.01120	0.6
115.22050	0.3
123.74622	0.4
162.46762	0.5
173.00874	1.1
191.91884	0.3
192.49257	0.4
328.07532	0.4
399.15579	0.4
405.28387	0.4
409.35983	0.4
444.93762	0.5
492.71802	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	483.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.0
59.01250	100.0
60.01585	1.3
61.98711	0.8
67.01738	0.7
67.37540	0.5
71.01252	0.7
71.49930	0.5
78.95782	0.7
87.00734	3.5
96.95894	0.5
111.00764	44.9
112.01150	1.5
152.99513	0.8
173.00861	3.7
176.11293	0.6
337.04929	0.8
381.22922	0.9
399.52695	0.6
483.23288	0.6
483.31400	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	482.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92892	0.7
59.01256	18.8
61.98705	100.0
69.03324	0.7
70.26786	2.6
71.01259	6.9
73.02821	11.2
78.95793	0.7
79.95644	0.6
80.35712	0.6
83.01260	2.8
85.02835	1.6
89.02337	1.8
96.95890	5.5
101.02313	10.2
113.02321	4.4
125.02293	0.8
147.86133	0.7
149.04457	1.9
152.21909	0.8
161.04500	3.1
201.21971	0.7
216.10907	0.8
396.14346	3.4
397.14197	1.0
438.15353	2.0
482.14343	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	483.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35001	0.2
56.56856	0.2
59.01259	1.0
61.98701	0.8
69.47965	1.3
69.48373	0.3
71.01229	0.5
72.79549	0.2
72.99203	0.2
79.95612	1.9
82.59502	0.2
83.01252	0.3
88.03895	0.2
89.02338	0.2
89.56093	0.2
91.04966	0.2
95.01273	0.6
96.95889	100.0
97.95814	0.5
107.04910	0.2
108.02052	1.6
108.64330	0.2
109.02824	0.7
110.97487	1.0
111.00771	0.3
113.02377	0.2
123.00755	0.8
123.04391	0.3
123.08007	0.4
127.00258	0.2
133.02814	0.2
135.04424	0.2
136.01566	0.2
139.00264	1.1
141.09007	0.2
145.02895	0.3
147.04388	0.5
149.02325	0.3
151.03932	0.5
152.01036	3.0
152.55859	0.2
153.01790	0.5
153.05495	0.4
161.02409	0.3
163.03889	0.3
169.23102	0.2
177.01813	0.4
177.05484	0.6
178.02594	0.7
179.03441	0.3
185.08142	0.3
188.04729	0.5
190.02501	0.3
193.05026	1.6
205.04863	0.3
313.07138	0.3
328.09531	1.6
343.07932	0.3
343.11874	3.8
344.12024	0.4
355.12006	0.4
373.09140	0.9
373.13278	0.4
388.11520	1.8
397.11612	0.5
403.08652	0.4
403.13943	6.3
404.14114	0.8
466.74237	0.2
477.96069	0.3
483.09436	13.3
483.15240	2.3
484.09772	1.6
484.15707	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	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10019	0.2
53.42708	0.2
56.93566	0.2
57.03319	2.2
59.01248	28.7
60.67156	0.2
67.01757	2.2
69.95215	1.1
76.93986	0.2
80.57265	0.2
85.02824	0.7
85.53189	0.2
87.00748	5.9
87.01281	0.3
99.16943	0.2
111.00762	100.0
112.01098	2.4
116.92702	0.2
127.69526	0.2
127.70837	0.2
129.01848	0.2
135.86757	0.2
154.99799	0.3
162.28436	0.2
173.00835	7.0
229.19829	0.2
274.11111	0.2
289.04428	0.2
291.19586	0.3
309.20712	1.0
382.64832	0.2
468.01535	0.3
483.22278	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	481.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56296	0.6
55.30428	0.6
58.61438	0.6
59.01249	14.4
59.11483	0.6
61.98699	1.0
71.01247	3.8
71.16542	1.3
71.19553	0.6
73.02802	1.5
78.95780	2.6
79.95605	28.9
80.96383	2.0
85.02804	0.8
89.02309	1.2
94.98895	0.8
95.95101	9.7
96.95889	87.5
101.02310	1.4
103.00249	9.0
134.97591	0.6
138.14766	0.7
138.96956	1.0
143.03369	0.6
150.96982	3.8
152.98494	2.7
152.99545	3.1
164.98534	1.2
177.03877	0.7
180.97964	1.6
194.99646	1.5
241.00177	5.2
246.70654	0.7
256.99677	5.5
299.00519	0.9
377.12570	1.0
395.13779	100.0
396.14014	10.6
437.14865	35.8
437.20996	1.4
438.14987	4.6
463.12704	2.5
467.87808	0.8
481.13828	22.6
481.21060	1.1
482.13824	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	482.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98127	1.7
51.37090	1.7
51.79167	1.9
57.03329	2.4
58.00472	2.3
59.01250	43.5
61.98704	100.0
69.03307	2.4
71.01252	54.1
71.49455	1.9
71.49836	1.9
72.99171	2.3
73.02809	18.3
78.95773	17.2
82.09679	1.7
83.01263	10.1
85.02815	30.3
87.00757	3.3
87.04385	6.5
89.02325	14.3
95.01262	6.6
96.95889	12.3
97.02827	3.1
99.00745	6.0
99.23346	2.2
101.02316	27.8
108.02065	11.2
113.02331	45.8
118.63053	2.0
119.03372	3.9
123.86126	1.8
125.02280	2.6
127.05068	2.4
128.03476	2.7
142.70802	2.0
143.03410	5.1
152.01060	17.5
152.99515	15.0
159.97504	2.2
161.04449	12.8
241.53410	2.1
242.99751	2.0
258.00189	2.1
357.08157	9.3
396.13736	5.4
438.15091	4.3
465.17715	4.6
478.82968	1.9
482.13971	2.7
483.23401	7.3
483.29623	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01592	0.7
65.39085	0.4
65.90371	0.4
70.40988	0.9
70.41347	1.1
71.01247	0.9
71.10479	0.4
78.95782	1.0
83.38392	0.4
87.04383	8.6
90.88458	0.4
96.95892	0.5
152.99519	0.7
267.36697	0.4
295.32416	0.4
488.94202	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	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69266	0.3
59.01250	100.0
60.01586	1.2
64.17922	0.3
71.01252	0.5
71.04906	0.5
71.05240	0.3
73.02832	0.4
78.95773	0.5
81.08294	0.2
85.02829	0.3
87.04388	4.0
101.02360	0.3
109.23455	0.2
113.02344	0.4
113.95608	0.3
117.85835	0.2
150.05457	0.3
152.99565	0.5
159.59222	0.2
198.23892	0.3
284.57678	0.2
291.19479	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	480.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23563	0.8
53.98873	1.0
59.00959	1.5
59.01251	29.0
61.56102	1.0
61.98702	100.0
64.28870	0.9
66.17075	1.0
67.02967	1.1
68.42010	0.8
69.03343	1.0
70.79276	2.9
71.01266	10.8
73.02824	10.1
78.95792	1.4
80.30466	0.9
83.01248	3.9
85.02792	1.8
89.02306	3.1
93.39329	1.1
99.04333	1.8
101.02325	10.9
108.02065	6.7
109.02817	1.3
109.23962	1.3
113.02321	3.8
119.03434	2.1
131.03442	1.6
149.04497	2.1
152.01024	11.0
153.01796	1.2
161.04463	3.1
235.29634	0.9
244.23692	0.9
286.11691	1.1
315.07245	1.4
331.17651	2.2
373.18671	3.7
399.41855	1.0
445.87912	1.0
481.17068	15.5
507.04108	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	480.3094
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.98696	1.9
68.05418	0.4
78.95776	19.7
119.18992	0.4
122.00018	0.8
139.89043	0.4
140.01071	5.5
152.99501	3.2
170.33592	0.4
171.00456	0.4
196.03737	10.8
202.87851	0.4
203.34839	0.5
214.04831	2.4
229.50900	0.6
245.04369	1.7
253.21725	1.0
283.26407	100.0
284.26764	10.4
431.40704	0.4
463.04535	0.4
474.19495	0.4
480.30930	29.9
481.25223	0.9
481.31366	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	481.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08402	0.3
57.03317	0.7
59.01247	13.1
69.03316	0.6
71.01250	4.3
71.05223	0.8
72.99174	0.8
73.02805	0.7
75.00742	1.2
79.95598	5.4
80.96393	1.7
85.02818	4.8
87.00726	0.5
89.02312	1.1
95.95124	1.4
96.95885	100.0
97.02815	1.7
97.68208	0.3
99.00740	2.0
101.02283	0.8
102.99555	0.6
103.00241	8.2
113.02357	1.0
115.03889	0.7
120.93999	0.3
120.95904	0.4
129.01813	2.4
138.96959	0.9
141.01826	0.4
144.03812	0.3
150.29564	0.3
150.96953	0.7
152.98572	1.9
153.51901	0.3
159.02881	0.8
164.98589	0.9
168.98010	0.6
176.98512	2.2
177.03947	5.9
180.98010	0.6
194.99611	1.5
213.00705	0.7
216.83080	0.3
219.04970	0.6
238.98622	5.3
241.00230	2.4
256.99701	38.0
258.00040	1.3
299.00751	5.9
362.27515	0.3
395.13770	66.2
396.09320	0.3
396.14114	6.4
437.14825	33.9
438.15106	4.0
463.12717	1.7
481.13824	26.7
482.14203	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	479.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	7.6
59.00957	6.0
59.01251	100.0
61.98706	15.4
64.40095	3.2
69.03325	10.1
69.63019	20.7
71.01252	52.9
72.99177	27.7
73.02809	6.1
75.00740	4.7
78.95752	4.1
79.05389	4.6
81.03294	4.1
83.04917	5.4
85.02826	14.1
87.00739	8.8
89.02314	49.8
95.04904	11.7
96.95912	3.3
97.02840	5.5
97.06470	5.7
98.19867	6.6
99.04395	12.0
101.02317	39.8
107.01272	3.7
108.02088	3.8
109.02809	9.4
109.06418	3.9
111.04441	5.7
113.02340	23.8
119.03405	22.0
123.04369	7.1
123.08020	9.0
125.05984	8.5
129.01799	3.9
134.06018	9.5
138.05583	3.6
139.03941	4.1
141.05493	7.2
147.04428	4.8
151.00284	13.3
152.99472	5.5
161.02280	4.1
161.04492	6.5
163.00252	10.5
163.11150	3.6
164.01044	3.2
167.07063	7.9
175.11185	12.0
178.99747	9.8
179.05516	10.7
187.18433	3.4
188.86882	3.2
193.12267	6.7
207.10173	11.5
217.46410	3.1
230.49371	2.8
237.11357	4.4
255.03020	5.1
280.75323	3.5
281.10336	5.5
299.01947	7.7
299.11209	15.3
317.03006	14.6
318.03348	4.1
334.38593	3.8
347.13403	5.6
387.16632	11.5
409.96521	3.0
435.22470	7.4
479.08353	14.5
479.17679	46.8
479.25555	12.1
480.17816	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	479.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
61.46688	0.3
61.98697	0.7
64.99536	0.3
69.00388	0.3
71.01244	0.4
71.49368	0.3
78.95773	51.4
81.68523	0.3
96.95894	0.6
96.96838	7.3
99.55970	0.3
104.87222	0.3
135.99606	0.3
150.97894	1.6
152.99487	100.0
153.99835	1.3
171.00555	3.8
172.00943	0.4
272.04404	0.4
275.16437	0.6
293.17487	0.6
428.06314	0.4
444.98914	0.4
463.12711	0.4
479.14905	0.5
479.20508	10.4
480.20963	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	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82874	1.1
52.74306	1.0
69.34384	5.6
69.34807	3.8
70.23664	1.2
73.21896	1.1
78.95777	54.9
80.96175	1.4
96.96850	4.8
98.19797	2.2
150.97905	1.1
152.99503	67.0
153.99893	2.1
171.00560	20.2
211.13524	1.1
224.38626	1.1
227.03169	3.3
245.04286	100.0
246.04649	4.2
251.20139	60.9
252.20586	6.5
284.18073	1.2
470.04297	1.2
479.23672	29.9
480.24365	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	479.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08533	0.3
55.77448	0.3
59.00957	0.5
59.01249	9.1
60.01563	0.3
61.01659	0.4
61.98702	2.6
65.03840	0.7
68.38243	0.3
69.03313	0.6
71.01256	3.3
71.49746	0.6
73.02811	0.7
75.00747	0.4
75.96708	0.3
78.95760	0.5
83.01248	0.4
85.02821	1.1
89.02323	1.5
93.03334	61.6
94.03658	1.4
95.01265	0.6
96.95891	0.5
99.00761	0.4
101.02327	2.2
109.02812	1.2
113.02325	1.3
119.03381	0.6
121.02814	1.7
125.02277	0.4
135.04390	0.6
137.02344	100.0
138.02654	4.1
139.00302	0.4
148.05301	0.4
151.00270	0.7
152.01076	0.5
153.01874	0.4
153.05472	1.1
155.03468	0.5
163.00299	0.7
166.99788	0.5
178.99716	0.5
181.01311	0.6
182.01984	0.8
183.02895	0.7
191.05431	0.4
197.04503	3.0
202.11891	0.3
239.16570	0.9
255.19652	1.2
257.17584	2.1
257.56348	0.3
273.12390	1.5
291.05695	0.3
305.15228	0.4
311.04004	0.5
341.08771	3.7
347.21356	0.3
416.08600	0.3
417.25021	0.6
419.22632	2.6
435.12933	0.4
461.07138	0.5
461.23996	0.7
479.18408	0.5
479.25040	9.4
479.31598	0.4
480.25253	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	478.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98948	1.2
59.01251	23.6
61.98700	100.0
71.01250	7.8
71.49615	1.6
73.02814	9.3
78.95773	5.3
80.11752	1.4
83.01254	2.6
96.95887	1.3
101.02324	4.9
113.02296	1.6
124.01546	3.6
128.47375	1.1
139.03873	7.7
139.21019	1.1
140.04295	1.7
152.99487	3.6
167.10678	12.6
171.10143	6.2
175.03940	1.8
188.17975	1.2
191.10692	3.4
193.05019	1.8
194.12831	1.1
209.11806	2.3
311.22244	3.8
315.09097	1.2
316.09058	2.9
478.14792	1.6
478.31494	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	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88447	0.3
62.96286	0.4
63.67953	0.3
65.39415	0.3
69.55582	0.7
69.55983	1.9
78.95777	39.7
96.96833	2.1
98.20572	0.3
122.00032	0.6
140.01091	4.6
152.99500	5.5
171.00565	4.8
196.03734	9.5
213.26216	0.3
214.04816	2.7
235.73578	0.3
281.24850	100.0
282.25174	10.2
282.28137	0.6
382.32031	0.3
395.63000	0.4
478.29367	37.6
479.29663	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	478.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43041	0.3
62.28441	0.3
67.79919	0.3
69.23500	0.6
69.23904	2.4
78.95777	7.9
87.38984	0.3
119.39344	0.3
140.01085	2.5
152.99510	1.3
171.00578	0.6
184.76588	0.3
196.03729	0.9
214.04814	2.1
220.19391	0.3
281.24844	100.0
282.25211	11.1
442.21341	0.4
478.29437	8.8
479.29703	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	479.083
Annotation	Gossypetin 8-glucoside
Peak:m/z	Relative Intensity
59.01248	15.0
59.05800	1.3
61.98697	1.5
65.00193	5.9
67.82727	1.5
71.01250	7.9
71.49622	2.1
72.99159	2.5
75.00742	1.8
79.95600	5.2
80.29605	1.6
81.03343	2.5
83.01252	5.2
83.04887	2.7
89.02317	4.3
92.20763	1.4
95.01247	1.5
96.95876	19.4
99.00757	3.5
101.02313	4.8
103.00224	2.6
107.01247	10.7
109.02152	2.6
109.02836	36.2
109.99944	4.6
111.00745	4.4
113.02329	3.4
115.00272	1.5
121.02799	2.5
123.00761	5.4
123.04474	2.0
125.02308	5.9
133.02826	2.4
135.34692	1.5
137.02353	14.9
137.99495	1.6
139.00301	11.8
139.84825	1.6
149.02327	2.2
151.00276	45.2
152.01025	2.9
153.01854	39.6
154.02162	2.3
159.04398	1.9
159.97481	5.9
161.02252	2.6
163.00262	14.4
164.01059	5.4
164.03459	3.4
165.01810	2.6
165.98970	5.3
166.99724	8.6
171.10155	2.2
175.00272	10.5
175.03963	1.7
178.99786	17.0
179.03352	2.0
181.01360	3.5
181.12190	1.6
185.11717	2.4
187.03879	3.6
190.99802	7.5
192.00540	4.4
193.01335	6.1
199.03931	4.1
199.13318	5.3
203.03429	1.7
206.99298	10.1
207.10205	4.3
210.01984	46.8
210.52139	4.9
214.02634	2.9
215.03395	2.3
225.11327	11.1
227.03462	5.5
231.02783	3.7
242.02098	4.2
243.02873	5.3
243.12231	1.8
250.29422	1.4
253.09317	1.8
255.03027	6.0
257.09583	1.6
259.02536	2.0
270.01691	4.4
271.02460	20.7
272.03088	3.9
273.04016	4.5
282.55661	1.5
287.01978	9.4
288.02579	5.4
299.01947	19.5
300.02286	2.7
313.05713	2.2
316.02206	32.3
317.02982	100.0
318.03302	9.6
341.05219	7.5
369.04617	4.1
370.05460	2.2
435.09250	2.3
461.07281	4.8
461.19968	3.0
479.08273	64.1
479.20901	19.8
480.08524	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	477.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97493	1.1
51.02756	1.0
51.56121	1.1
57.03300	2.2
58.05734	1.1
59.01249	100.0
61.98692	4.0
70.63400	3.6
71.01252	25.9
72.31609	1.0
72.99167	1.8
73.02808	5.4
78.95775	1.4
83.01263	2.8
85.02831	10.2
87.00735	2.2
89.02312	17.9
89.92310	1.2
94.09493	1.2
95.01241	2.3
96.95896	2.5
99.00742	3.1
101.02321	25.5
113.02328	13.1
119.03409	7.2
125.02332	2.9
131.03418	1.1
135.04396	4.1
137.02309	2.8
143.03394	4.0
151.35825	1.2
152.04675	2.4
152.99420	1.0
159.02885	2.2
161.02277	3.0
161.04459	20.4
169.21301	1.3
173.00070	1.1
179.05481	5.4
179.06906	1.3
205.03412	1.4
218.98332	1.1
226.07410	1.5
241.09708	2.9
255.19600	2.4
271.10913	4.3
273.11368	5.7
299.09171	2.2
315.09525	3.8
316.71661	1.1
357.10574	1.4
417.24896	32.4
418.25159	4.0
477.33099	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	477.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65307	0.5
54.17512	0.4
55.01755	0.5
55.87218	0.4
57.03342	0.8
59.01250	100.0
60.01594	1.1
61.98698	1.0
67.02599	0.5
71.01256	7.4
71.50546	0.6
71.50948	0.8
73.02818	1.8
78.95765	3.2
83.01268	2.0
85.02820	3.9
85.99954	0.6
89.02333	0.7
94.79585	0.5
95.01254	1.0
97.02878	0.7
101.02335	4.7
111.00776	0.7
112.01568	0.5
113.02302	4.1
152.99489	3.2
161.04512	1.7
236.06833	0.5
271.22778	1.2
272.06885	0.7
273.07764	0.5
273.24371	1.3
311.22211	0.7
312.22733	0.6
315.25421	0.7
320.40286	0.7
370.54239	0.6
417.28583	8.3
418.29065	1.1
435.29614	10.7
435.35086	0.7
436.29956	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	477.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57125	0.3
54.41423	0.4
55.01754	0.9
57.03321	0.7
59.01249	100.0
60.01578	1.3
61.98701	0.5
71.01254	7.5
71.49409	0.4
73.02820	2.7
78.95795	1.1
83.01260	2.4
85.02829	4.1
85.06480	0.3
87.00769	0.4
89.02330	0.9
95.01273	1.0
96.95882	0.5
97.02836	0.5
99.00756	1.1
101.02318	4.9
101.02927	0.5
111.00744	0.8
113.02315	3.5
125.02348	0.6
143.03398	1.0
150.05542	0.4
152.99477	1.6
159.02858	0.6
161.04465	1.7
166.08727	0.4
178.99699	0.5
241.21756	0.5
271.22879	1.1
273.24307	1.6
291.19684	1.0
301.03439	0.7
310.21124	0.6
311.22287	1.0
312.22705	1.0
315.25510	0.8
417.28552	8.2
418.29037	1.0
427.07629	0.3
435.29633	9.1
436.30200	1.0
477.30801	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	477.14
Annotation	Nyasicoside
Peak:m/z	Relative Intensity
52.62323	1.1
55.01745	1.1
58.00463	1.0
59.01250	42.2
60.01567	1.2
60.61359	1.0
61.98705	6.7
63.02244	1.6
65.00203	1.3
69.28809	4.7
69.29240	4.0
71.01253	15.3
73.02810	3.1
73.81108	1.0
77.34663	0.9
83.01254	2.1
85.02818	4.3
87.00736	1.4
89.02319	8.7
93.03338	1.4
95.01240	1.9
96.95887	22.3
97.02828	2.2
98.02321	3.5
99.00743	1.2
101.02316	12.2
101.38842	0.9
107.01283	1.6
108.02037	3.4
109.02814	3.5
111.00742	2.1
113.02326	7.2
119.03383	2.9
119.83669	1.0
121.02847	10.9
124.01553	71.9
125.01908	1.3
131.03471	1.0
131.84052	1.1
136.01518	4.2
138.03107	2.1
139.03909	100.0
140.04202	4.8
143.03386	1.1
145.76396	1.1
147.04314	1.1
148.05159	2.7
149.05933	4.2
150.03052	1.3
150.37895	1.1
152.99504	1.9
160.01515	1.7
161.04469	6.5
163.00117	1.0
165.01825	2.5
167.03334	0.9
175.03926	29.1
176.04346	1.2
177.01802	1.7
178.02638	7.8
179.05508	4.4
193.04994	31.0
194.05241	1.6
205.04898	1.5
210.01566	3.7
213.27809	1.0
221.06425	1.0
241.00151	4.1
253.17845	1.2
261.74261	1.1
283.01358	2.1
297.07730	1.4
299.05423	1.8
314.07858	2.0
315.08740	30.8
316.09009	2.1
391.06836	5.0
417.24948	2.6
433.07971	5.6
449.75302	1.2
476.25586	1.4
477.07068	2.2
477.13867	45.9
477.24277	2.3
477.30499	2.1
478.14194	5.4
502.91220	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40869	0.5
55.01751	0.5
57.03333	2.1
57.04712	0.4
58.45736	0.5
59.01249	17.6
60.39171	0.5
61.98693	2.8
68.69623	0.5
69.03324	5.9
71.01253	12.7
71.02557	1.5
71.04900	2.3
72.99196	1.5
73.02824	2.4
75.00734	0.5
81.03345	2.2
81.41631	0.5
83.01281	1.7
83.04903	0.9
85.02818	7.6
87.00748	1.8
89.02319	6.7
90.02715	0.5
95.01266	5.0
96.00806	0.8
96.95920	0.9
97.02846	1.9
97.06466	0.8
98.02339	0.6
99.00771	1.5
101.02311	9.5
103.36525	0.6
107.01257	0.8
107.04906	0.9
108.02055	37.9
109.02840	48.0
110.03191	1.3
111.00777	0.6
113.02336	5.1
117.03412	0.7
119.03405	2.2
119.04948	0.7
120.55309	0.6
121.02849	1.0
123.00805	3.9
123.04414	2.1
123.08045	1.3
125.02339	1.3
125.09621	2.0
130.08621	0.8
132.02075	1.1
133.02850	25.7
133.06459	0.6
134.03609	2.3
135.00786	0.7
135.04414	15.8
136.04738	0.8
137.02344	1.0
139.00256	0.7
140.01021	1.9
143.03438	0.9
145.02870	0.8
148.62807	0.5
151.00287	1.9
151.11156	2.5
152.01065	22.9
153.01837	100.0
153.05389	1.5
153.12816	1.5
154.02193	3.7
155.03387	1.4
161.02353	72.4
161.04504	2.4
161.09584	3.5
162.02689	3.8
163.03947	1.3
164.07086	1.1
169.01311	0.9
175.03874	1.2
177.05434	1.0
177.98601	0.5
179.03392	7.8
179.05629	0.9
179.10687	7.4
192.88829	0.6
197.11761	94.0
198.12085	5.5
203.03430	1.7
223.09685	1.9
241.10779	8.0
245.17102	0.5
253.09273	5.5
273.61841	0.6
297.06223	0.7
315.06863	3.3
323.07681	4.8
433.11331	1.9
442.19644	2.7
467.37497	0.5
477.10312	82.2
477.19687	93.7
478.10571	11.0
478.20044	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	477.107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36521	0.3
59.01249	13.3
59.92790	0.3
61.98721	0.6
69.45039	1.8
69.45450	0.6
71.01250	1.6
73.02822	0.5
73.51482	0.3
78.95769	0.5
83.01229	0.4
85.02830	0.6
96.95875	0.9
96.96841	0.5
97.02805	0.3
98.19781	0.6
99.00761	1.4
99.92458	11.3
100.92487	0.8
100.93256	0.9
101.02340	1.2
103.00233	0.6
113.02384	0.4
115.91960	25.0
116.92741	100.0
117.92749	5.3
121.02846	0.4
140.92719	0.4
142.94341	0.5
147.78577	0.4
150.05455	0.3
152.99519	1.2
158.93855	0.6
170.55569	0.3
170.93840	0.4
172.73134	0.4
184.91754	1.1
197.05945	0.3
227.36383	0.3
232.92891	0.3
301.03699	0.3
331.11258	0.4
345.96033	0.5
355.08710	0.6
373.09537	2.4
391.10648	2.8
403.10550	0.4
415.10629	1.2
433.11758	4.7
434.11584	0.7
441.08585	1.0
477.10690	10.1
477.26501	0.4
478.10941	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	477.1397
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
58.00414	0.6
59.01183	9.1
61.98654	1.0
63.02225	1.1
65.00133	2.5
65.00448	0.7
69.35494	1.5
69.35904	4.6
70.93858	0.6
71.01245	8.5
71.02306	0.6
72.14831	0.5
72.99125	1.3
73.45896	0.6
74.02303	1.0
75.00665	0.8
83.01202	1.9
84.03972	0.6
85.02831	3.5
87.00717	1.2
88.98640	0.6
89.02323	3.7
89.02745	0.8
89.29846	0.7
93.03251	0.7
95.01217	1.5
96.00735	0.6
99.00755	0.9
101.02320	4.3
107.01273	4.7
108.02056	7.9
109.01614	0.7
109.02840	11.7
113.02352	3.3
115.08594	1.2
117.03291	1.0
119.03395	0.9
121.02805	5.2
123.04339	0.8
128.03403	0.9
130.06065	0.9
131.03371	1.0
132.02049	1.1
133.02849	34.4
134.03625	1.2
135.00792	0.7
135.04413	23.5
136.04662	0.9
137.02264	1.1
145.02878	1.6
147.04381	1.2
148.03946	0.8
149.02296	1.2
151.00270	17.9
152.01056	5.4
153.01840	21.2
153.05426	0.7
154.02142	0.9
161.02350	100.0
162.02708	4.1
163.00272	2.6
164.07072	2.3
169.01324	1.7
175.02486	1.1
175.03944	1.8
177.05324	0.7
178.99812	8.7
179.03381	10.7
187.03929	1.0
188.04538	0.7
191.05635	1.1
201.05606	0.8
203.03558	1.1
211.04045	0.9
214.15633	1.7
227.03596	1.2
229.05101	0.9
239.03651	0.7
245.04698	2.0
255.03146	2.9
271.10864	0.8
273.04095	1.2
283.02664	1.4
287.02164	1.3
301.03528	57.0
302.03854	5.4
315.07608	1.6
315.11215	2.1
323.08011	1.2
375.78500	0.8
432.74979	0.7
460.23904	0.8
476.25723	1.2
476.99918	1.6
477.14798	46.8
477.25897	4.1
478.15021	6.9
493.84738	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	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01245	7.9
59.67416	0.4
61.98691	1.1
63.02271	5.4
63.32543	0.3
65.00195	3.6
69.76729	1.7
71.01257	1.7
71.69782	0.4
73.02820	0.9
83.01246	6.0
85.02818	0.5
87.25913	0.4
88.25867	0.4
89.02339	0.7
92.81081	0.3
95.01270	1.2
96.95928	0.6
99.82215	0.4
101.02328	0.8
102.59586	0.4
107.01266	11.3
108.02104	0.9
109.02829	0.7
113.03499	0.7
119.03407	0.4
123.00742	0.6
125.02303	0.5
126.97485	0.3
128.03412	0.5
135.00784	0.6
136.01601	0.6
137.02386	0.6
148.01540	1.6
149.99451	1.0
151.00276	37.3
152.00740	1.2
153.01863	1.0
161.02362	1.2
163.00259	2.2
164.01079	2.2
165.01779	0.7
169.01340	7.2
171.04428	0.6
175.00256	0.6
175.03955	0.7
177.05402	0.6
177.42494	0.4
192.00562	0.9
193.01343	1.2
195.10143	0.7
196.00056	1.2
199.04001	1.0
200.04713	2.4
204.04091	0.6
205.01366	1.4
205.05035	0.9
211.03958	0.9
215.03342	1.2
215.07120	1.1
223.06075	0.5
227.03447	2.2
228.04198	3.4
239.03470	0.6
239.55730	0.4
240.04153	0.4
241.05072	0.8
243.02971	3.6
243.06505	0.9
244.03670	1.6
255.02969	2.7
256.03766	1.1
256.84851	0.4
259.06079	1.4
271.02475	32.4
272.03021	4.8
282.01718	0.5
283.02469	10.5
284.03223	3.6
285.03983	4.5
286.04535	1.1
287.05618	15.1
288.05884	1.3
297.03894	0.5
299.01959	40.9
300.02664	19.9
300.06155	1.0
301.03165	1.6
313.03531	12.0
314.04279	27.5
315.05075	67.0
316.05435	5.1
327.05234	0.8
329.06537	0.5
357.06070	1.8
446.08444	1.2
447.08850	0.6
462.07919	2.9
463.08292	0.5
470.91058	0.4
477.10358	100.0
477.23581	3.3
478.10690	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	477.1036
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
59.01249	1.6
60.25262	0.5
69.03330	0.6
69.37116	2.7
69.37542	2.5
71.01259	1.0
81.03329	1.0
85.02820	2.0
95.01250	2.1
95.15311	0.6
96.32650	0.6
97.02808	0.8
98.19816	1.4
108.02048	26.0
109.02839	43.3
110.03186	1.6
113.02326	0.8
123.00758	1.3
132.01999	1.0
133.02847	15.0
135.00760	1.0
135.04411	12.3
151.99817	1.2
152.01057	24.8
153.01836	100.0
154.02174	4.6
161.02344	53.8
162.02690	2.7
175.03960	1.0
179.03395	6.5
203.03474	1.1
233.79729	0.7
301.03476	1.3
315.07205	4.0
323.07703	3.9
387.93906	0.7
433.11322	1.8
477.10321	97.1
478.10657	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85072	0.5
57.03339	0.6
59.01248	12.1
61.98712	2.4
68.99696	0.7
69.03320	3.4
70.02655	2.5
71.01247	7.5
71.01620	0.6
71.04890	1.1
72.99189	0.5
73.02835	1.8
81.03347	2.3
82.91115	0.6
83.01266	1.2
85.02813	6.3
87.00768	1.5
89.02308	4.5
93.03354	0.5
95.01247	4.1
96.06195	0.5
97.02843	1.3
99.00769	1.0
101.02331	5.5
107.01239	0.7
108.02049	38.8
109.02837	48.9
110.03188	1.8
111.00744	0.9
113.02332	3.3
117.03369	1.0
119.03372	1.0
119.04957	1.1
123.00757	3.7
123.04415	1.5
123.08066	0.9
125.02352	1.5
125.09667	1.0
130.08624	0.9
132.02095	0.7
133.02846	25.6
133.06409	0.7
134.03674	1.2
135.04410	15.9
136.04750	0.9
137.02348	1.0
139.00319	0.8
140.01042	4.8
147.04462	0.8
149.06012	0.6
151.00262	1.3
151.11124	1.0
151.99805	0.9
152.01054	22.4
153.01834	100.0
153.12743	0.9
154.02235	2.6
155.03366	3.2
161.02347	81.0
161.09605	1.7
162.02704	3.8
163.03912	0.8
164.07126	0.9
169.01338	0.9
175.03967	0.8
179.03378	7.3
179.10715	3.5
188.92200	0.6
197.11757	46.0
198.12053	2.7
203.03407	1.1
213.21567	0.5
223.09657	0.9
241.10814	4.4
253.09224	2.9
272.03140	0.6
297.05960	0.8
315.06937	3.7
323.07794	4.2
324.07803	0.7
390.28415	0.5
433.11200	2.2
442.19373	0.8
459.09286	0.8
465.34949	0.6
477.10162	94.2
477.19562	51.1
478.10315	11.6
478.20313	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.7
59.63195	0.2
61.98719	0.3
64.53026	0.2
65.00201	0.4
70.31325	0.2
71.01246	1.2
73.02824	0.6
83.01255	0.6
85.02847	0.6
89.02325	0.3
96.40794	0.3
96.95909	0.4
101.02316	1.0
102.78349	0.3
107.01275	1.0
108.02067	0.4
109.02883	0.5
125.02337	1.2
130.08592	0.3
133.02878	0.3
136.54477	0.3
147.04413	0.4
151.00261	3.2
153.01840	0.9
155.04910	0.2
155.10674	0.4
156.83904	0.3
161.02344	0.6
169.01344	0.8
171.04425	0.9
175.03897	0.5
178.99803	0.8
187.03926	0.6
189.01855	0.4
197.02357	0.3
199.03937	4.8
200.04330	0.3
201.01921	1.3
203.03442	1.0
204.04149	0.5
212.09473	0.9
215.03439	4.9
225.01936	0.7
226.02676	0.9
227.03458	4.0
227.11839	3.4
228.03883	0.3
229.01422	0.7
241.01241	0.3
242.02170	10.8
243.02951	48.8
244.03305	3.9
255.02950	0.7
255.16042	0.7
257.04529	12.5
258.04919	1.1
270.01682	12.7
271.02472	46.4
271.10690	2.0
272.02841	3.8
273.04074	0.4
285.04047	26.4
286.04749	9.2
287.05353	0.6
299.01981	10.4
300.02689	6.3
301.03168	0.4
313.11713	0.5
314.04324	54.9
315.04944	12.9
316.05414	0.5
357.06293	1.3
477.10361	100.0
478.10721	14.2
478.16132	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	475.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87759	9.6
59.01226	26.9
71.01224	9.9
71.17579	12.2
71.17886	12.9
73.05151	9.3
78.95769	42.5
88.11861	8.9
197.02046	8.8
270.11517	9.1
279.23270	100.0
320.25552	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05046	0.3
55.01780	0.6
57.03331	0.6
58.00467	0.3
59.01249	100.0
60.01590	1.1
64.63477	0.3
65.52828	0.3
71.01253	8.2
71.49735	0.4
72.99176	0.4
73.02811	2.0
83.00250	0.3
83.01273	2.7
85.02814	4.6
85.99961	0.4
87.00747	0.5
89.02325	0.7
95.01273	0.9
96.45956	0.3
96.95849	0.3
97.02843	0.5
97.35467	0.3
99.00772	0.9
101.02321	4.2
101.02919	0.3
111.00784	0.8
112.01603	0.3
113.02334	5.0
114.02675	0.4
123.64963	0.3
124.01574	0.3
125.02377	0.7
137.43330	0.3
143.03429	1.3
159.02896	0.4
161.04494	1.8
166.08624	0.3
175.69623	0.3
209.11751	0.9
270.64468	0.4
271.22931	1.0
309.20883	0.3
310.21149	0.4
313.23776	0.6
328.85443	0.3
341.23355	0.4
380.77136	0.3
415.26999	9.7
416.27496	1.1
433.28055	9.8
434.28445	1.3
475.28888	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	475.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23091	0.3
55.01762	0.6
57.03318	0.8
58.00455	0.3
59.01251	100.0
60.01588	1.1
64.07606	0.2
69.03349	0.3
71.01256	7.6
71.36449	0.3
72.99174	0.5
73.02815	2.6
83.01260	2.6
83.63499	0.2
84.05844	0.2
85.02827	5.7
85.03299	0.4
87.00757	0.6
89.02341	0.6
93.38584	0.3
95.01289	1.1
97.02857	0.7
99.00784	1.2
101.02325	5.5
109.64908	0.3
111.00774	0.4
112.86834	0.3
113.02334	5.1
115.03922	0.3
125.02374	0.8
143.03375	1.2
159.02902	0.3
161.04446	1.7
200.26207	0.3
209.11763	0.4
271.22742	1.4
313.23926	0.3
368.42151	0.3
415.26984	10.1
416.27283	1.4
426.55560	0.3
433.28067	10.2
434.28442	1.9
475.28107	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	476.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26172	0.3
52.72927	0.4
59.01259	1.0
59.28086	0.3
65.07896	0.3
70.66006	0.8
70.66342	0.4
71.01254	0.8
72.99157	0.4
75.31319	0.3
85.02833	0.7
88.00278	0.5
89.02316	0.8
91.05374	0.5
107.04891	1.5
108.02116	0.6
109.02851	1.3
113.02382	0.5
121.02859	0.6
122.03627	1.9
123.04436	1.9
133.02844	3.0
134.03629	0.7
135.04416	49.5
136.04747	1.6
137.02313	0.7
144.80800	0.3
148.03966	0.5
148.05200	1.1
150.05486	1.8
152.01083	0.4
152.07082	24.0
153.01814	2.4
153.07408	0.9
160.03928	0.5
161.02350	21.8
162.02654	0.9
178.05013	7.7
179.05371	0.8
180.06610	1.4
185.78674	0.3
190.04970	0.6
192.06622	0.9
217.86273	0.4
271.02417	0.4
277.71384	0.4
314.10336	100.0
315.10651	9.2
338.02573	0.4
476.15564	6.5
476.21637	0.6
477.10324	2.9
477.16263	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	476.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57004	0.3
59.01240	1.5
66.95930	0.4
69.20845	0.9
69.21263	2.9
70.73756	0.4
71.01238	0.6
84.72249	0.4
88.00253	0.3
89.02328	0.4
91.05407	0.5
98.19839	0.6
101.02332	0.5
107.04894	1.5
108.02054	0.7
109.02823	1.3
121.02843	1.0
122.03657	2.1
123.04425	1.7
133.02850	3.2
134.03644	0.5
135.04416	43.5
136.03870	0.6
136.04788	1.4
137.02353	0.7
148.04024	0.4
148.05212	1.1
150.05507	1.4
152.07080	23.4
153.01852	1.7
153.07428	0.8
156.78848	0.4
161.02354	20.8
162.02696	0.8
167.15651	0.3
178.05014	6.7
179.03476	0.4
180.06604	1.9
186.49979	0.4
190.04976	0.8
192.06598	0.8
241.77303	0.3
250.87874	0.4
310.37134	0.4
314.10345	100.0
315.10669	9.0
354.16766	0.3
372.19672	0.4
475.54019	0.4
476.15625	6.3
477.10159	1.9
477.16022	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	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50415	0.2
59.01235	0.4
62.83896	0.2
78.95774	7.7
82.09100	0.2
96.96881	0.3
98.20573	0.6
113.86054	0.2
122.00018	0.2
140.01089	2.4
143.51515	0.2
152.99475	0.9
196.03716	1.3
214.04803	3.0
261.22272	0.4
279.23273	100.0
280.23611	9.5
280.26810	0.3
476.27774	9.2
477.28052	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48172	0.4
59.01252	0.5
70.52324	0.9
78.95773	24.4
122.00042	0.8
135.69777	0.5
135.70859	0.5
136.64494	0.4
140.01085	5.2
152.99498	1.4
177.35992	0.5
196.02054	0.9
196.03732	11.8
214.04828	2.8
215.90417	0.4
262.43497	0.5
279.23282	100.0
280.23599	10.0
476.27805	24.5
477.28201	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.8
70.99157	0.5
70.99475	0.5
72.95821	0.3
78.95770	5.8
106.73901	0.4
124.40052	0.4
140.01062	2.3
152.99457	0.7
196.03761	1.2
214.04822	3.2
215.10876	0.5
265.02335	0.4
277.21713	100.0
278.22079	11.3
474.26270	7.8
475.26563	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
62.96314	0.4
66.90491	0.4
67.98269	0.4
70.48232	0.4
70.99288	0.9
70.99632	0.5
78.95775	22.7
122.00041	1.1
140.01077	6.3
152.99454	2.4
160.62796	0.5
196.03741	13.4
196.05579	0.7
214.04845	2.7
234.45036	0.4
239.26201	0.4
259.20584	0.5
275.20291	0.5
277.21710	100.0
278.22049	9.9
347.46387	0.4
437.66611	0.5
474.26242	26.3
475.26706	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	475.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.2
71.01243	1.6
71.08061	0.5
72.99125	0.4
82.31644	0.5
85.02805	0.6
85.95444	0.6
89.02300	1.3
93.86008	0.5
96.95889	5.2
98.20522	0.9
101.02310	1.3
104.64768	0.5
109.84071	0.5
111.00714	0.6
112.94560	0.4
113.02329	0.5
185.06032	3.6
195.04462	4.1
195.13786	1.0
196.05190	1.3
197.06038	1.9
199.03973	0.6
209.11739	0.8
211.03963	1.2
212.04724	3.3
213.05516	24.3
214.05914	1.5
223.03935	4.3
224.04646	3.5
240.04269	2.9
241.05029	78.8
242.05368	5.8
255.06506	2.7
256.07394	45.1
256.99716	1.8
257.07700	4.2
270.08859	0.6
271.09750	100.0
272.10114	9.6
395.13751	5.7
396.14328	0.7
475.28583	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	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87833	2.3
57.03313	2.7
59.00964	5.5
59.01251	100.0
61.98691	3.8
69.03259	2.7
69.16301	29.0
71.01247	18.8
73.02818	5.8
74.93571	2.7
78.95786	5.0
85.02810	5.4
89.02328	4.6
96.95894	4.4
98.20602	5.5
101.02333	11.7
113.02313	9.0
116.27759	2.2
116.56001	2.3
121.02860	3.6
125.02265	4.0
134.34660	2.3
140.83179	2.3
150.05510	4.5
161.04486	3.0
227.16484	11.7
253.14345	3.8
295.22733	3.7
313.23761	4.1
325.06873	3.8
346.52008	2.3
371.20819	13.3
389.21729	30.3
431.17450	3.4
431.22867	55.5
432.23248	5.2
475.29300	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00988	0.9
59.01249	8.3
61.98698	1.4
70.79118	1.3
70.79437	0.8
71.01245	2.7
73.02798	0.7
87.00744	1.1
89.02299	1.2
96.95883	2.0
99.00732	0.6
101.02319	1.6
109.02875	0.7
113.02309	1.4
120.07659	0.7
130.08659	1.3
133.02818	0.9
133.05209	2.2
134.03656	2.8
135.04411	10.7
135.29948	0.7
136.04742	1.0
137.02338	1.0
138.31265	0.6
145.02858	1.3
147.04379	1.4
148.04044	1.4
148.05197	36.9
149.05856	2.0
150.03113	1.6
161.02359	1.5
166.04973	1.1
175.02551	1.2
176.03461	3.9
177.04216	1.9
178.05028	24.4
179.05396	1.5
189.75827	0.7
190.05017	9.9
191.05525	1.1
244.12999	1.0
253.08698	1.5
297.10052	10.9
298.10495	1.4
312.12399	100.0
313.12735	10.8
388.13684	0.9
474.17514	4.7
474.23840	2.5
475.21872	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	474.1769
Annotation	Dauricoside
Peak:m/z	Relative Intensity
59.01247	4.4
61.98700	0.4
69.03318	0.6
70.31031	0.8
70.31416	1.4
71.01251	1.6
85.02810	0.7
89.02344	0.5
96.95862	0.8
99.00749	0.5
100.00190	0.4
101.02282	1.0
105.03302	0.4
108.02051	1.0
109.02837	0.6
113.02323	1.0
119.04916	5.3
121.02866	0.7
123.04384	0.8
124.01587	0.7
130.06100	0.5
130.08641	1.2
132.05698	3.1
133.02892	2.0
133.05223	1.2
134.03638	3.0
135.04422	11.4
145.02835	1.2
147.04404	1.5
148.05205	34.2
149.04529	0.4
149.05782	1.6
150.03027	0.6
150.05484	0.6
152.01036	2.1
153.01801	0.7
161.02324	0.8
162.05521	2.8
166.05028	0.9
174.05580	0.9
175.03990	0.8
176.03450	2.6
177.01816	0.9
177.04196	1.3
178.05023	22.0
179.03519	0.4
179.05338	1.4
190.05008	8.1
191.05385	0.7
192.06628	0.6
205.05196	0.4
253.08708	1.5
297.10068	11.2
298.10382	0.8
302.31137	0.5
312.12415	100.0
313.12750	9.7
345.70734	0.5
388.13757	0.6
394.14941	0.4
474.17740	1.2
474.24048	2.1
475.08640	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01596	0.9
69.58717	0.2
71.01248	1.0
71.02375	0.2
71.22572	0.3
73.02816	1.1
73.03934	0.2
78.95776	0.3
83.01247	0.2
88.24644	0.2
89.02325	0.4
96.00782	0.8
97.75978	0.2
101.02309	1.3
113.02347	0.7
114.05508	1.0
143.31071	0.2
223.48962	0.2
337.17883	0.3
378.76492	0.3
473.27585	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92400	0.3
59.01249	100.0
60.01585	1.0
61.98693	0.3
69.18726	2.6
69.19131	0.7
70.86446	0.3
71.01254	2.1
73.02829	0.4
79.95625	0.3
85.02785	0.3
89.02322	0.9
96.95879	3.3
101.02345	1.2
113.02341	0.9
119.03379	0.5
147.99472	0.3
151.64458	0.3
161.04460	0.6
371.20786	0.5
387.13193	1.9
413.22119	0.3
429.14615	1.1
473.13531	0.5
474.23920	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	0.3
58.28838	0.2
59.01250	100.0
60.01584	0.9
61.98711	1.0
68.70062	0.2
69.03334	0.5
71.01252	3.6
72.99243	0.4
73.02827	2.1
75.46473	0.3
75.77069	0.3
79.95639	0.3
83.01270	0.8
85.02843	1.1
89.02325	2.3
92.97999	0.3
96.95891	4.6
99.00755	0.7
101.02327	3.6
103.00215	0.4
111.04419	0.7
113.02339	1.9
115.07556	0.9
119.03398	0.8
121.73815	0.3
127.04977	0.2
130.08658	0.3
143.03418	0.4
143.93330	0.3
145.02905	0.4
148.05196	0.4
149.04457	0.5
152.98495	0.3
158.11871	0.3
161.04477	0.6
163.07526	0.6
164.08624	0.3
165.09143	0.3
179.05602	0.4
241.00291	1.0
269.08313	0.3
320.17053	0.3
357.42615	0.3
371.21396	0.3
376.16199	0.5
387.13284	1.5
413.17667	0.4
413.22354	0.5
429.14413	0.9
473.13647	0.6
473.23978	2.1
474.23511	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01713	0.3
57.03346	0.3
59.01248	100.0
60.01587	1.4
61.98689	0.5
69.03328	0.6
71.01256	2.8
71.49671	0.3
73.02830	1.8
73.87814	0.2
76.58646	0.2
81.18726	0.3
83.01260	0.5
85.02842	0.8
89.02320	0.8
95.01266	0.2
96.95924	0.8
99.00785	0.3
101.02328	2.5
112.64081	0.2
113.02346	1.3
114.28454	0.2
115.07529	0.4
116.92757	0.3
119.03379	0.3
121.02966	0.2
125.02350	0.3
128.03470	0.2
131.03458	0.3
135.04420	0.6
139.55414	0.3
143.03412	0.4
145.02802	0.2
149.04414	0.3
161.04492	0.5
185.00847	0.3
239.03510	0.4
275.73700	0.2
329.10422	0.2
365.32001	0.2
413.21655	0.6
473.01602	0.4
473.12299	0.3
473.23160	0.4
473.28574	0.6
474.23865	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	474.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97784	0.6
53.41891	0.5
57.03336	1.4
59.01246	5.2
61.98703	100.0
64.19497	0.5
71.01249	0.9
71.49677	0.6
73.02850	0.6
81.53330	0.5
89.02310	0.6
99.57392	0.5
101.02326	0.6
101.59985	0.5
119.04872	0.6
125.02336	9.6
133.40329	0.5
135.04463	1.2
148.05196	23.0
149.05595	1.3
163.07555	29.1
164.07950	1.6
177.25093	0.6
271.06180	3.0
278.20920	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	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42838	1.4
53.60795	1.5
54.24974	1.2
55.47387	1.1
57.64312	1.2
59.01258	15.6
60.67487	1.2
69.11814	1.3
71.01251	11.3
71.49557	2.0
85.02811	2.5
89.02323	15.2
101.02316	3.6
113.02322	4.2
119.03364	2.9
145.53812	1.2
161.01212	1.4
161.04489	1.8
165.12753	4.7
178.69322	1.3
179.05524	3.9
191.40077	1.4
192.16319	1.5
227.88214	1.3
238.26982	1.5
245.51173	1.4
247.20706	4.5
291.19662	26.5
292.20056	2.2
323.01990	1.5
350.01291	1.4
471.34787	100.0
472.34918	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	471.3481
Annotation	Odoratone
Peak:m/z	Relative Intensity
53.63580	0.2
61.68486	0.2
66.62263	0.2
71.39903	0.3
77.70673	0.3
227.73891	0.3
242.93985	0.2
393.31641	0.6
423.32745	1.0
440.06970	0.3
471.34796	100.0
472.35138	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.36261	0.3
57.66257	0.3
59.01249	0.4
61.91708	0.3
65.25111	0.3
71.06747	0.7
86.56747	0.3
110.28316	0.3
145.28970	0.4
151.37589	0.4
196.32675	0.4
197.54361	0.3
263.12363	0.4
290.24930	0.4
361.76636	0.4
383.81509	0.4
420.53012	0.4
423.32947	0.4
450.84708	0.3
471.34756	100.0
472.35141	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	472.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
59.01250	8.8
69.03313	0.4
71.01247	3.9
72.99175	0.6
73.02814	1.0
76.95153	0.3
78.95744	0.4
83.01266	0.7
85.02814	1.7
87.00706	0.4
89.02333	1.7
91.48235	0.3
95.01256	0.5
96.95893	0.4
101.02312	2.6
113.02322	1.5
116.07058	100.0
117.07381	2.0
119.03410	0.3
130.08627	1.0
135.04430	0.8
136.70433	0.3
147.24904	0.3
157.02879	0.3
198.22214	0.3
211.02126	0.3
266.21356	0.4
292.19135	1.0
310.20425	0.3
471.34836	0.3
472.25494	77.7
473.02335	0.5
473.19025	0.6
473.25854	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	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87371	0.5
59.01250	100.0
60.01600	1.0
61.98686	0.6
66.55650	0.5
67.22739	0.6
67.43192	0.5
70.70507	0.7
70.70857	1.2
71.78558	0.5
75.29197	0.5
89.18544	0.6
107.36077	0.5
145.58626	0.6
362.65051	0.6
472.35123	0.9
473.34909	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.13471	0.2
60.01586	1.0
61.98716	0.2
70.42107	0.4
70.42435	0.4
71.01274	1.5
73.02808	1.1
76.58177	0.2
83.01279	0.7
85.02825	0.4
89.02335	0.5
101.02328	1.8
113.02300	1.0
119.03370	0.3
149.04451	0.4
161.04491	0.5
181.08437	0.2
200.28151	0.2
471.28427	0.2
471.34836	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05833	0.6
59.01250	100.0
60.01595	1.1
61.98700	1.3
62.13686	0.7
65.88548	0.6
71.01245	3.7
71.50338	0.8
73.02814	2.9
78.95805	1.0
83.01274	0.8
83.04906	2.5
85.02818	0.6
87.00772	0.6
89.02330	1.0
96.00816	1.0
96.95921	1.8
101.02313	4.7
113.02361	1.4
116.92793	0.9
127.05061	1.8
127.34859	0.6
128.03470	1.7
128.05386	0.8
130.08638	1.3
132.42700	0.6
132.46231	0.7
143.03444	0.7
145.06134	2.4
146.83203	0.6
161.02348	0.8
161.04559	1.2
350.04486	0.6
471.29095	6.3
471.35040	4.0
472.25031	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	469.1171
Annotation	Shogasulfonic acid D
Peak:m/z	Relative Intensity
54.60801	0.6
59.01250	5.6
61.98711	1.8
69.03316	1.2
69.19321	5.1
69.19738	2.3
71.01237	1.3
73.02811	1.2
79.95606	45.2
80.96395	0.7
83.04910	1.1
85.02811	0.8
87.00778	0.7
89.02299	0.7
95.95104	13.0
96.95885	100.0
99.00742	0.6
101.02312	1.2
110.97448	5.6
113.02323	0.9
117.04633	0.8
123.04407	0.8
127.05013	1.4
128.03436	0.8
130.08658	1.4
134.36115	0.6
137.02357	1.2
141.95651	1.8
152.01062	1.1
153.05458	1.1
166.08626	1.0
167.03381	1.4
175.03920	1.1
207.06487	0.8
281.99503	0.8
289.03833	1.8
323.16159	3.0
359.15210	0.9
425.10001	0.7
454.09290	2.6
469.11703	82.2
469.33224	4.1
470.11938	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	469.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.0
57.03321	3.9
59.01251	66.8
61.98703	9.3
69.03316	3.6
71.01243	36.5
71.49533	4.0
72.99208	4.4
73.02813	16.0
79.95615	3.3
83.01258	9.4
85.02831	21.1
89.02322	20.3
96.95893	9.4
97.02802	3.3
99.00758	6.8
101.02325	37.8
113.02297	13.5
113.29446	2.7
129.01910	3.0
130.47722	3.0
131.03387	10.3
133.72652	2.4
135.04417	3.2
145.06076	3.6
149.04501	3.8
161.02359	4.1
161.04425	6.1
164.03673	2.6
222.99159	6.2
224.98634	4.2
267.60480	2.7
277.16544	36.4
278.16861	3.3
296.41586	2.6
380.33942	3.0
409.20770	100.0
409.26288	4.9
410.21280	14.6
469.17010	7.3
469.27072	5.6
469.33322	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97763	6.5
57.03279	5.6
57.73728	5.6
59.01244	100.0
59.53573	5.6
69.03328	7.3
70.25133	14.5
71.01241	43.9
73.02819	36.4
78.95801	6.9
83.01283	10.7
83.04896	16.5
84.22111	5.0
85.02817	13.9
89.02313	15.3
96.95889	13.7
96.96834	7.2
97.75223	6.2
98.95483	5.2
101.01729	5.5
101.02286	31.2
113.02334	12.3
117.03358	18.2
127.05019	24.4
128.03403	12.5
130.08635	14.5
133.02853	9.6
134.03633	6.7
135.04361	8.4
143.03391	6.9
145.02847	71.3
145.06001	11.5
146.03166	9.4
148.03934	28.2
161.02336	45.1
161.04414	8.2
175.03891	8.6
185.00819	6.6
190.02451	6.2
193.04936	6.2
205.04958	6.8
223.05957	6.0
277.57944	6.3
308.43228	7.3
339.82608	6.6
471.19345	14.7
471.27209	67.3
471.34750	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45153	0.4
51.71824	0.5
55.01772	0.4
55.55269	0.3
58.02845	0.9
59.01240	1.8
69.03306	0.5
71.01257	0.5
71.04895	3.1
71.07033	0.9
73.02841	0.5
74.02344	1.4
81.03331	5.9
82.02838	2.1
83.04892	35.3
84.04427	4.5
84.05209	0.8
84.08057	0.5
86.02349	4.2
96.95882	0.9
97.03947	1.3
97.06470	3.0
98.02336	0.6
100.07565	4.0
101.07097	2.2
107.02379	0.5
109.03951	8.0
110.05984	0.5
114.09106	0.6
115.07533	4.5
124.07573	0.7
125.03441	2.9
125.07080	0.5
126.05478	2.2
127.04073	1.6
127.05020	42.8
127.11172	11.9
128.03421	14.7
128.05388	1.0
128.07065	3.1
128.11525	0.4
139.08629	0.5
145.06084	53.3
145.18971	0.4
146.06378	1.4
151.11156	0.5
152.07056	0.4
153.02866	0.5
153.12756	3.2
161.00224	0.5
164.14409	2.2
167.11795	2.4
169.09760	1.1
169.12227	6.9
170.08133	1.2
181.12224	0.6
182.15419	4.7
182.16879	0.6
193.09775	1.2
211.10780	0.7
212.16487	0.6
229.11900	5.8
237.08717	1.2
249.75389	0.4
254.15073	4.8
255.09814	3.2
265.19177	0.5
272.16205	0.7
275.50327	0.3
298.14124	0.9
316.15079	3.0
322.20215	0.8
370.19885	5.2
450.26044	5.3
468.27109	100.0
469.27396	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	468.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59611	0.3
58.02843	1.1
59.01252	3.3
59.49734	0.3
61.98698	1.9
67.02862	0.4
69.03320	0.5
70.02840	0.5
70.89511	1.1
71.01254	1.7
71.04892	1.5
72.00784	0.7
72.99171	0.4
73.02845	0.4
74.02333	1.8
74.50719	0.3
78.95770	0.8
79.95608	0.8
80.96411	0.7
81.03333	1.7
82.02848	1.5
83.04894	11.0
83.06003	0.6
84.04419	4.1
85.02824	0.8
89.02283	0.3
93.03336	0.8
94.03672	0.6
96.95889	4.6
97.03939	0.7
97.06467	0.8
98.02352	2.2
98.95438	0.5
99.00790	0.4
99.08019	0.7
101.07095	2.3
107.02386	1.0
107.63560	0.3
109.03957	6.2
109.06467	0.3
110.02370	0.5
114.09126	1.4
115.07533	10.2
120.08086	0.4
122.89857	0.4
125.02661	0.3
125.03479	2.6
125.07098	0.9
126.05502	3.7
127.05024	38.0
128.03426	10.5
128.05385	0.7
128.07051	0.6
128.10674	1.0
128.11661	0.3
130.08768	0.4
135.08018	0.6
137.09599	5.0
138.09138	1.7
138.44373	0.3
139.07549	3.1
140.10721	0.4
145.06087	55.1
146.06419	1.1
148.05135	0.5
156.08928	0.7
156.10205	14.4
157.10512	0.7
158.11771	10.0
162.09142	0.9
163.07483	0.7
171.03946	0.6
180.10118	0.5
181.08481	0.8
181.12247	0.7
182.11734	0.4
182.15450	0.7
191.05453	0.3
204.98036	0.3
211.10808	0.4
222.99159	2.0
223.14461	7.2
223.99458	0.9
224.12886	0.9
229.11720	0.4
230.94987	0.3
232.94234	0.3
241.15553	6.8
242.15756	0.5
255.09894	0.8
283.16531	0.7
302.95087	0.6
309.14691	0.4
315.85562	0.4
322.20154	3.7
323.20535	0.4
327.15683	0.6
350.38763	0.3
352.18948	0.5
362.34729	0.4
370.19675	2.2
450.15442	0.4
450.26154	3.3
451.26132	0.6
468.27124	100.0
469.17249	0.7
469.27435	14.0
469.33157	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	467.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08427	0.7
59.01230	1.9
71.49927	1.3
76.85493	0.7
78.95770	18.5
89.49664	0.8
96.96819	1.9
132.18842	0.8
152.99496	31.1
155.93480	0.8
171.00575	4.1
171.10167	1.5
180.47337	0.8
210.06622	0.8
227.03094	3.6
239.20128	100.0
240.20461	8.0
241.21671	1.3
245.04274	35.8
246.04688	1.5
312.85898	0.9
409.17654	0.9
467.24106	35.6
467.30389	1.8
468.24557	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	467.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78704	1.2
70.79037	2.5
78.95776	37.2
80.55748	1.1
96.96848	3.2
116.89957	1.0
121.02833	1.3
152.99489	54.2
153.99850	2.1
171.00562	16.3
216.28893	1.1
227.03194	4.7
239.20123	67.6
240.20531	5.1
245.04282	100.0
246.04597	4.2
467.24167	36.1
467.30692	2.2
468.24567	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	465.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45306	0.4
55.01746	1.1
57.03328	0.7
57.20807	0.4
58.00449	0.4
59.01250	53.8
60.01554	0.4
60.03913	0.4
61.98683	0.7
63.02261	0.6
65.00192	0.7
66.00505	0.4
71.01251	11.9
71.49391	0.6
72.93950	0.4
72.99192	0.7
73.02810	4.8
83.01258	3.2
85.02824	6.0
85.99953	0.5
87.00751	0.5
89.02319	1.6
94.48431	0.4
95.01260	1.2
99.00772	2.0
101.02317	11.3
107.01256	2.3
108.01591	0.8
111.00776	0.8
113.02321	4.4
119.03378	0.6
121.02831	2.0
122.03185	0.6
129.01863	0.5
130.08574	0.5
130.21179	0.4
151.00279	7.4
152.00607	2.9
153.00743	2.5
159.02905	0.6
161.04433	1.5
167.27020	0.5
169.01300	0.7
174.33308	0.4
178.99748	2.8
180.00125	1.6
181.00240	1.6
206.33066	0.4
243.19572	1.0
270.30801	0.4
301.03549	6.3
302.03860	6.9
303.04053	13.6
303.21744	1.0
304.04453	0.5
306.38998	0.4
333.81458	0.5
405.24884	3.5
407.23975	0.4
420.00650	0.5
447.26022	4.3
448.26099	0.6
465.09448	8.7
465.27017	100.0
466.09564	0.6
466.27338	13.7
492.64896	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	467.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02858	5.9
58.48032	3.0
59.01252	11.7
61.98707	4.5
69.03367	3.2
71.01245	7.9
71.48516	5.3
74.02337	20.9
85.02823	3.9
86.02364	10.5
96.95886	4.6
97.03963	3.4
99.05515	19.3
101.02318	5.4
106.76940	2.8
113.02297	2.9
127.05059	4.6
128.03424	62.7
133.06783	3.7
135.05453	3.6
139.11154	3.2
141.06689	3.6
143.04527	78.8
143.05455	2.9
144.04878	3.6
145.06111	2.7
146.04475	5.4
172.46291	3.1
177.43353	2.9
179.00432	5.7
179.04533	14.7
194.02750	99.3
195.03008	4.5
197.05612	5.7
210.08780	11.5
254.07825	27.7
272.08881	100.0
273.09338	5.8
287.15042	5.5
432.32742	3.6
467.21539	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54196	1.0
51.74815	0.8
57.24924	0.9
59.01250	100.0
61.98701	6.3
70.96695	1.8
70.97025	1.4
71.01253	8.0
73.48888	0.9
85.02820	1.7
89.02316	13.2
90.42198	0.9
96.95898	3.1
100.27956	1.0
101.02324	5.4
103.37429	1.0
111.61842	1.0
113.02314	4.0
119.03403	5.3
125.02328	1.0
128.93562	1.2
161.04385	1.6
179.05562	4.0
210.05560	1.4
217.10728	1.1
230.30876	0.9
237.52747	0.9
241.00273	1.4
252.07318	0.9
259.33926	0.9
285.67062	1.1
373.31451	1.2
405.21149	3.3
429.05734	1.0
465.23651	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	465.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50192	0.2
53.80457	0.2
59.01245	0.7
61.98707	0.2
69.18456	1.3
69.18880	0.8
71.01251	0.3
78.95776	54.8
96.96844	6.2
121.13577	0.2
136.05193	0.4
150.97940	1.8
152.99490	100.0
153.99815	1.4
171.00552	4.2
222.42268	0.2
311.22464	0.3
342.29385	0.2
446.74197	0.2
465.22552	15.1
465.35815	0.6
466.22766	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	465.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
61.98692	0.6
62.96290	0.3
69.77428	0.4
69.77837	0.9
71.01266	1.1
78.12926	0.2
78.95777	58.9
79.84669	0.2
85.02815	0.6
89.02325	0.2
96.95912	0.5
96.96842	6.3
98.20515	0.5
113.02345	1.0
115.76125	0.2
150.97926	1.7
152.99492	100.0
153.99849	1.8
167.14366	0.2
171.00554	4.5
183.26486	0.2
293.21304	0.4
311.22327	1.0
446.23608	0.2
465.22543	16.8
466.22943	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35720	0.3
55.01759	0.9
57.03328	0.8
57.55220	0.3
58.00453	0.3
59.01248	100.0
59.46214	0.3
60.01585	0.9
68.99694	0.3
69.03323	1.8
69.35155	2.2
71.01251	17.0
72.01585	0.3
72.99194	0.9
73.02824	3.4
75.00758	0.7
79.95595	0.3
81.03339	0.7
83.01257	3.6
85.02821	9.6
85.99977	0.3
87.00741	2.9
89.02318	2.0
95.01260	1.4
96.95931	0.6
97.02826	2.1
98.20605	0.6
99.00755	2.4
101.02322	7.3
109.02850	1.1
111.00779	1.4
112.01536	0.5
113.02327	9.2
121.02869	0.6
124.01554	0.6
125.02346	2.1
127.03905	0.8
131.03375	2.1
137.74182	0.3
139.03925	1.3
143.03409	0.9
149.04497	0.4
159.02895	0.5
161.04472	2.3
167.03400	0.6
185.04593	0.4
191.05615	0.5
201.13531	0.3
215.05595	2.1
233.06628	0.8
252.10251	0.3
263.36200	0.3
263.55392	0.4
273.17102	0.7
291.18103	6.9
291.21240	0.4
333.19366	1.0
357.19614	0.3
388.65839	0.3
405.21274	19.1
406.21579	2.4
423.22382	3.4
465.26834	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	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97515	2.9
57.43118	3.2
59.01252	95.9
61.98702	100.0
70.71290	8.9
71.01248	9.4
78.95773	44.4
82.67914	3.3
88.23646	2.8
89.71037	2.8
92.73635	3.0
96.95887	8.0
101.02330	4.8
113.02316	3.0
113.28242	3.2
115.21850	2.9
143.91039	3.6
152.99466	25.2
177.97572	3.6
355.96683	3.6
464.21268	5.2
465.19040	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74258	0.8
59.01247	5.8
61.98702	100.0
71.01265	1.2
76.86001	0.7
85.02822	0.9
89.02332	1.1
94.14448	0.7
97.92792	0.7
98.13212	0.6
101.02333	1.3
101.50140	0.7
166.64285	0.7
170.38306	0.8
183.12027	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	465.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98035	3.7
59.01256	40.1
61.98720	9.0
64.37129	3.3
69.59026	3.6
69.60725	12.3
69.61127	12.3
70.21712	3.5
71.01249	12.8
73.02853	3.9
76.20377	3.8
85.02812	4.4
87.00728	5.3
88.09828	3.4
89.02316	8.2
96.95889	8.7
101.02335	6.8
113.02366	5.3
125.02335	5.1
137.09662	8.1
141.71696	3.6
155.10669	67.9
156.10965	4.4
171.10158	16.4
188.63138	4.2
191.05452	5.3
196.96542	3.6
199.08055	5.0
199.09685	25.9
217.10756	70.4
241.10861	3.9
259.11871	100.0
260.12274	5.0
302.98679	4.1
395.67661	3.9
421.16849	7.3
465.09586	4.5
465.38763	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	465.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21303	0.2
59.01249	13.9
61.98701	1.8
62.96268	0.3
70.59783	0.9
71.01252	1.4
73.02848	0.3
78.95774	100.0
80.03408	0.3
83.01243	0.4
85.02821	0.6
89.02326	0.6
96.96840	9.6
98.17810	0.3
101.02311	1.1
113.02328	0.6
119.03401	0.3
129.15778	0.3
150.97934	2.2
152.99493	86.8
153.99878	1.5
157.08609	0.6
160.82098	0.2
161.04518	0.3
164.61581	0.3
171.00577	3.5
171.10133	0.4
175.03867	0.3
176.60332	0.2
209.17575	0.2
214.63564	0.3
255.01717	0.3
267.19693	1.8
293.17758	0.9
311.18625	0.7
337.97171	0.3
447.17795	1.6
465.19009	21.4
465.26987	4.2
466.19339	2.7
466.26663	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	463.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03843	0.7
53.55881	0.6
55.01741	0.9
57.03312	1.8
59.01250	44.4
61.98696	2.1
69.03308	1.1
70.71059	2.6
71.01253	16.6
72.99186	1.4
73.02815	2.6
78.95784	2.1
83.01246	2.5
84.75215	0.7
85.02821	5.2
87.00750	2.4
89.02313	7.7
96.95868	2.3
97.02842	1.0
99.00761	1.1
101.02320	8.1
113.02310	5.1
119.03411	0.9
125.02310	1.2
126.71644	0.7
131.03394	1.9
149.04437	2.5
151.00226	1.3
152.99490	5.0
160.31352	0.7
161.04472	0.9
168.11032	0.9
184.85191	0.8
191.05566	1.1
209.11707	1.0
213.62608	0.8
221.19066	13.2
222.19679	1.0
265.18100	8.6
283.19125	12.3
284.19559	1.5
301.03571	2.2
301.20172	15.5
302.20654	1.1
325.20203	1.1
352.99493	0.7
400.59415	0.8
427.23065	1.0
445.24182	4.9
463.25510	100.0
464.25754	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19574	0.6
59.01250	14.0
61.98701	100.0
71.01253	3.8
73.02836	2.1
78.95782	3.0
83.01274	0.9
86.88830	0.6
89.02319	1.1
96.95925	0.8
96.96830	0.7
101.02295	3.2
113.02313	1.0
123.45449	0.5
152.99501	3.1
153.99782	0.7
161.04477	1.3
231.19844	0.5
288.91748	0.6
401.12857	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01007	0.5
59.01250	24.0
61.98701	100.0
70.89651	1.6
71.01260	2.7
78.95774	4.2
79.27187	0.6
79.61642	0.6
85.02837	0.9
96.95893	1.0
101.02322	1.7
113.02326	0.8
143.38135	0.7
152.99519	2.3
168.12010	0.7
226.80638	0.7
315.18298	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	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71263	0.4
59.01250	18.8
61.98702	100.0
71.01263	1.7
71.50700	0.7
73.02827	1.0
78.95779	1.0
81.97759	0.4
85.02853	0.6
89.02332	0.6
90.85918	0.4
101.02335	0.8
113.02352	0.9
126.76538	0.4
152.99536	1.2
161.04512	0.6
167.59012	0.4
186.60809	0.4
187.28696	0.4
267.77209	0.5
315.18262	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	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	65.4
61.98697	8.6
69.49895	9.3
69.50307	5.1
71.01258	36.9
72.99200	2.8
73.02817	3.1
74.02335	2.5
75.00746	71.5
75.23811	2.4
83.04852	3.6
85.02820	4.8
85.03941	8.9
87.05508	4.2
88.03912	34.9
89.02308	22.6
96.95898	2.4
98.19862	2.6
99.00763	2.4
101.02336	14.8
113.02317	12.7
115.00266	25.5
115.08627	2.3
119.03418	5.5
121.02839	2.6
129.10242	23.0
132.02927	10.5
135.04457	2.2
146.06023	4.0
148.07602	3.1
159.07600	4.5
161.04439	6.3
163.11166	3.6
163.59442	2.6
172.07607	3.7
174.09087	3.5
179.05547	6.5
192.37054	2.4
197.09595	2.7
199.08727	9.9
200.07066	2.8
205.12311	3.5
207.91727	2.7
209.11783	100.0
210.12119	6.4
217.09802	31.2
218.09903	2.2
227.12854	19.2
241.07294	3.6
243.83290	2.2
253.09204	10.0
259.14413	4.1
301.03683	5.3
310.60916	2.2
347.20868	18.7
348.19186	32.5
349.19696	4.1
373.13794	4.9
401.02084	2.4
403.19684	27.9
404.20044	2.8
419.22906	8.3
463.16083	4.0
463.21979	44.5
464.22141	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22124	0.3
59.01250	5.1
63.02270	0.4
65.00194	0.9
69.03330	0.3
70.55650	0.3
71.01254	3.8
71.07159	0.5
72.99181	0.5
73.02818	0.9
73.03933	0.3
78.95813	0.3
79.00764	0.3
80.02552	0.8
81.03333	1.0
83.01247	0.8
83.04903	4.1
84.02041	0.7
85.02833	1.0
87.00732	0.4
89.02321	3.2
93.03343	0.8
95.01282	0.8
95.04885	0.6
97.02810	0.3
99.00733	0.4
101.02316	3.2
107.01277	1.1
111.00741	0.7
113.02332	1.8
114.19304	0.3
119.03396	1.2
121.02863	0.6
124.01559	0.3
125.02293	0.5
125.05929	0.5
125.89925	0.3
131.03438	0.4
135.00827	0.3
135.04393	0.4
135.08031	0.6
136.98688	0.4
137.02290	0.4
139.00269	0.6
143.05009	0.3
145.02878	0.3
151.00296	2.8
152.01076	0.6
160.75896	0.3
161.02344	0.5
161.04488	1.2
163.00299	0.7
163.11194	2.9
164.01093	0.3
165.12715	2.4
166.99802	0.5
175.00310	0.4
175.03932	0.4
178.99744	1.0
181.12262	0.6
183.04491	0.4
187.03886	0.8
191.10727	0.8
199.04022	0.4
199.13362	0.3
206.03877	0.3
209.11778	100.0
210.12119	6.3
211.03947	0.8
216.04265	0.4
226.02539	0.4
227.03461	2.3
227.12851	17.6
228.13182	1.3
229.04976	0.4
235.08281	0.5
243.03004	2.5
244.03574	0.5
245.04565	0.3
253.09268	15.0
254.02298	0.5
254.09595	0.8
255.02998	6.8
256.03430	1.2
257.04483	1.7
257.13058	0.3
259.02701	0.4
271.02475	7.7
272.03159	2.3
273.03827	0.6
283.02448	2.0
285.04160	0.3
299.01920	0.4
300.02753	9.9
301.03522	12.7
302.03851	1.1
343.06769	0.5
397.64749	0.3
433.20773	0.4
463.08810	24.6
464.09076	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	463.1246
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
52.22022	0.3
55.22826	0.3
57.03314	0.4
59.01252	8.6
61.98700	0.9
65.00194	6.4
69.03306	0.4
71.01254	3.5
71.49099	0.5
72.99172	0.6
73.02801	0.5
73.87852	0.3
74.02314	0.4
78.95783	0.7
83.01273	0.5
85.02839	1.1
87.00720	0.6
89.00211	1.4
89.02317	2.2
91.01765	1.1
95.01282	0.4
96.95895	1.3
97.02829	4.6
99.00748	0.6
101.02309	2.0
104.77330	0.3
107.01260	0.4
108.44820	0.3
113.02345	1.4
115.03842	0.4
117.03295	0.4
119.03376	0.9
121.02856	2.9
124.01593	0.4
125.02330	0.4
133.02898	0.3
134.03654	1.8
135.04411	100.0
136.04771	3.5
139.03903	0.9
149.02365	1.5
149.99509	1.8
151.00237	0.8
161.02364	2.8
161.04482	0.7
165.01845	28.5
165.12729	0.8
166.02263	1.0
178.02658	0.7
183.02937	4.1
183.13834	11.6
184.14287	0.4
201.70053	0.4
209.11697	0.6
210.01654	1.0
227.12762	2.1
239.16527	1.0
241.14519	0.8
253.09386	0.7
283.19150	1.0
297.09781	1.5
301.07156	41.7
302.07486	4.1
421.24466	0.5
463.12424	13.9
463.21887	5.8
463.26486	1.6
464.12741	2.0
464.22070	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	463.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24180	0.5
59.01242	1.1
61.98668	2.1
62.10700	0.4
69.73025	3.0
78.95772	55.8
86.22240	0.5
87.44389	0.6
96.96841	7.9
133.02855	6.3
134.03625	1.2
135.04408	11.6
146.96541	1.1
150.97919	2.0
152.99484	100.0
153.99843	1.9
161.02347	32.9
162.02672	1.1
169.36713	0.6
171.00540	5.4
179.03395	3.8
221.15363	0.7
221.19112	1.7
265.18130	0.8
283.19263	1.5
300.02686	0.8
301.03613	1.2
301.20239	4.2
302.20483	0.5
402.68042	0.5
463.23297	24.0
464.23630	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	463.2187
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
55.01755	1.0
57.03315	2.0
58.00466	4.3
59.01250	78.4
60.01585	0.6
61.98701	1.7
63.22463	0.4
69.03327	1.3
70.84863	0.8
71.01253	67.7
72.01602	0.9
72.99181	5.1
73.02818	9.9
73.03204	0.8
74.02348	0.6
75.00749	1.5
81.03330	0.6
83.01265	3.8
85.02827	11.6
85.99963	0.9
87.00755	9.1
89.02318	100.0
90.02652	1.4
93.03352	0.6
95.01257	1.3
96.95908	0.7
97.02830	0.9
99.00761	1.5
101.02324	47.7
102.02670	1.3
107.01294	1.2
108.85513	0.4
109.02842	0.6
111.00784	1.0
113.02335	13.3
115.03938	0.5
116.03422	0.6
119.03385	9.1
121.02834	0.8
123.00954	0.4
125.02345	3.7
128.03442	1.0
131.03400	46.8
132.03752	1.0
133.02835	1.7
134.03610	0.6
135.04417	1.2
137.02310	1.0
143.03432	1.7
147.93967	0.5
149.04466	84.1
150.04808	1.6
151.00267	3.1
153.05441	0.6
161.02357	4.8
161.04475	1.6
165.05531	0.6
175.03905	0.7
178.99809	1.3
179.05626	3.5
179.07068	0.7
191.03761	1.1
191.05553	22.8
192.05934	1.3
199.13362	1.0
209.11768	2.3
227.12852	4.0
233.06578	0.8
242.02170	0.8
251.07817	1.0
253.09276	1.0
253.11940	0.5
259.02350	0.6
269.86374	0.6
271.02444	4.5
272.02899	0.5
287.01978	1.6
293.08719	0.6
300.02689	1.9
301.03494	4.5
301.10739	2.2
302.11914	0.5
311.09833	0.8
313.16602	0.5
316.02234	7.4
317.02924	1.9
323.07797	2.6
331.17685	1.5
343.04279	0.6
347.17395	0.5
445.21063	0.5
463.08389	8.0
463.21689	9.5
463.26859	0.6
464.09363	1.5
464.22305	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	461.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00813	0.3
52.84461	0.2
54.11700	0.2
59.01239	1.1
70.98430	0.4
71.13007	0.2
78.95776	6.2
124.99984	2.4
147.86354	0.2
152.99490	1.2
158.14017	0.3
181.02570	1.2
189.42911	0.3
199.03687	3.5
210.75430	0.2
224.77888	0.3
261.22095	0.6
269.29166	0.3
279.23276	100.0
280.23627	9.4
461.26813	5.5
462.27112	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	463.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48824	0.3
59.01247	5.9
61.98724	0.3
63.02264	3.3
65.00195	6.0
66.99876	0.2
68.16147	0.2
69.03340	0.5
70.79336	0.6
71.01244	2.4
72.99167	0.3
73.02810	0.5
76.23325	0.2
79.05399	0.7
83.01257	4.2
83.04894	0.5
85.02831	0.7
87.00787	0.4
89.02305	2.2
91.05396	1.1
93.03335	2.0
95.01268	0.5
95.04902	0.3
96.95879	0.4
97.06472	1.0
101.02320	1.6
107.01270	11.0
107.04849	0.3
108.02128	0.3
109.02892	1.3
113.02326	1.0
116.66642	0.2
119.03382	0.7
121.02841	10.1
122.03171	0.3
123.04362	0.4
124.01544	1.6
125.02316	0.7
125.05933	0.3
133.02864	0.9
135.03423	0.5
135.04408	5.6
137.02371	0.4
139.03911	4.0
141.05475	0.6
141.42648	0.2
147.04422	0.3
148.01646	0.3
149.02411	1.8
149.04434	0.5
151.00272	41.2
152.00584	1.6
159.04332	0.4
161.02342	8.9
161.05893	0.3
162.02734	0.4
163.00250	0.6
163.03969	0.5
164.01060	0.8
165.01840	0.8
165.12746	0.4
169.01350	2.6
171.04306	0.3
175.03868	0.4
178.99780	19.0
179.05566	0.4
180.00098	0.5
183.04369	0.3
183.13786	0.2
187.03992	0.4
191.03459	0.4
191.05573	1.0
192.00543	0.3
193.01338	1.0
199.13269	0.2
201.05531	0.4
205.04884	0.4
209.11783	8.8
210.12128	0.5
211.03896	0.6
215.03560	0.4
227.03560	0.6
227.10732	0.4
227.12836	3.0
229.04996	1.2
239.12859	0.6
240.04185	0.3
240.35712	0.3
243.03003	0.6
245.04562	1.2
253.09258	1.6
255.02972	1.2
256.03467	0.3
257.04526	0.8
259.31946	0.2
265.10706	0.3
269.15976	0.3
271.02460	0.8
272.03055	0.3
273.04099	2.1
283.02499	0.3
283.06091	0.8
283.11865	2.4
283.19083	0.3
299.01926	0.6
299.99512	0.4
300.02771	5.3
301.03522	100.0
302.00531	0.5
302.03870	8.3
302.07309	0.5
399.22452	0.3
445.11618	0.5
445.24228	0.9
463.08270	4.6
463.17310	2.2
463.25534	0.8
464.08975	0.5
464.28830	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.9
63.02255	2.0
65.00182	4.5
69.46023	4.6
71.01270	0.7
83.01266	3.2
93.03336	1.7
94.92751	0.6
98.20550	0.8
107.01261	8.9
108.02068	1.2
109.02842	2.2
110.43810	0.6
114.73657	0.6
121.02854	7.0
123.02088	0.6
123.96552	0.6
124.01559	1.0
125.02322	0.7
135.00729	0.8
137.02277	0.6
139.03929	0.7
148.01573	1.5
149.02359	1.4
151.00273	29.9
152.00542	0.6
161.02383	0.7
163.00255	2.1
164.01053	1.6
169.01291	0.6
175.00261	3.1
178.99763	6.4
183.04532	0.8
199.03928	1.3
201.05513	0.6
209.00449	0.6
211.03928	1.3
216.04193	1.0
226.02647	1.5
227.03452	3.4
229.04968	1.4
243.02940	8.7
244.03413	0.8
245.04539	1.1
254.02180	1.7
255.02953	19.7
256.03329	1.6
271.02472	41.3
272.02924	5.4
273.04010	2.0
283.02542	1.5
299.02042	1.0
300.02731	77.6
301.03494	100.0
302.03839	7.4
313.03540	0.7
343.04547	1.9
382.17798	0.6
463.08792	49.9
464.09100	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
57.03324	0.9
58.00471	1.8
59.01249	50.7
59.98385	1.5
60.01585	0.9
61.98691	0.4
69.03320	4.1
69.31643	3.4
71.01250	54.2
72.01584	0.7
72.99172	2.5
72.99519	0.3
73.02822	4.6
81.03309	2.4
83.01257	3.0
85.02820	7.6
87.00750	2.5
89.02314	73.6
90.02670	1.3
90.20494	0.3
95.01261	1.5
96.95916	0.6
97.02826	5.0
98.03635	0.4
99.00746	1.5
99.04386	2.0
101.02324	11.2
111.00734	1.9
113.02319	8.1
115.03943	0.5
118.61778	0.4
119.03391	3.0
123.00711	0.4
125.02334	16.0
126.02672	0.7
131.03397	16.4
132.03656	0.7
139.03857	0.8
143.03383	1.7
149.04462	20.8
161.04497	0.5
167.10690	100.0
168.11015	4.3
185.00897	0.7
188.07045	0.5
191.05533	6.4
204.20908	0.4
225.14943	1.0
233.06630	3.5
241.04951	0.5
242.05821	1.8
257.08185	1.7
293.08771	14.2
294.09109	1.2
299.01849	0.4
353.08270	0.4
353.36612	0.4
419.22519	0.6
461.18188	0.6
461.23959	5.3
466.27405	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	463.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65741	0.5
53.13526	0.6
56.58619	0.5
59.01255	1.4
59.94036	0.5
62.21386	0.5
62.96277	1.3
65.12691	0.5
69.87509	2.8
78.95760	10.6
79.17641	0.5
83.11560	0.5
87.18253	0.5
119.67986	0.6
120.92848	0.5
149.00000	34.4
152.99501	3.8
158.16240	0.5
171.00562	0.6
180.35413	0.6
194.98799	100.0
195.99138	3.0
265.21762	2.4
266.22153	1.4
269.76273	0.5
295.22964	1.1
299.99390	0.5
300.02780	1.4
301.03503	1.1
378.86343	0.5
463.11169	63.7
464.11606	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31895	0.2
53.46387	0.2
59.01245	1.4
59.51128	0.2
59.59114	0.2
59.85546	0.2
63.02271	3.8
65.00195	6.9
71.01280	0.3
71.06892	0.5
83.01252	5.1
93.03315	1.6
95.01244	0.2
101.02340	0.2
107.01275	15.8
108.01540	0.3
108.99170	0.3
109.02814	0.6
110.90849	0.2
113.02376	0.2
121.02847	12.3
122.03147	0.3
124.01588	0.5
125.02326	0.7
126.63776	0.2
128.78506	0.2
135.04410	0.5
139.03931	0.5
148.01578	0.5
149.02368	1.5
151.00275	57.9
152.00601	2.1
159.04395	0.3
161.02354	0.6
163.00307	0.8
163.03894	0.5
164.01010	0.7
165.01848	0.2
169.01346	2.8
171.23579	0.2
175.03996	0.4
178.99782	26.8
180.00127	1.2
187.03902	0.5
189.05504	0.3
191.05446	0.2
192.00531	0.6
193.01338	1.2
201.05530	0.4
203.03543	0.3
205.05104	0.3
209.11794	0.5
211.03995	0.6
215.03442	0.3
227.03477	0.9
228.04208	0.5
229.04904	1.1
231.02931	0.2
239.03397	0.3
243.02997	0.5
245.04587	0.8
255.02954	0.5
256.03635	0.3
257.04538	0.9
271.02466	0.8
272.02985	0.6
273.04044	2.4
274.04251	0.2
299.01926	0.6
300.02689	2.4
301.03516	100.0
302.03873	8.0
336.12762	0.2
368.42017	0.2
437.55594	0.2
463.08823	30.1
463.25119	1.3
464.09045	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	461.1089
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.56364	0.4
56.99736	0.5
57.11716	0.5
59.01248	16.2
61.98692	0.5
66.57658	0.4
67.39897	0.4
69.03316	2.6
69.87984	2.6
71.01247	4.2
73.02809	1.3
74.02353	1.2
76.64722	0.5
81.03340	1.3
83.01272	0.6
85.02816	2.5
87.00742	0.7
87.53267	0.5
88.03969	0.5
89.02312	1.9
93.03345	0.8
95.01256	2.0
96.95871	0.6
97.02825	2.3
99.00717	0.7
101.02330	2.2
107.01270	1.5
107.04919	0.5
108.02051	60.6
109.02852	20.6
113.02309	1.8
116.03410	1.1
117.03329	1.6
121.02789	0.7
123.00779	1.3
124.91170	0.6
125.02353	4.0
129.10262	0.8
132.02077	4.6
133.02914	3.1
134.03636	21.4
134.04665	1.1
135.00787	1.2
135.04344	1.8
136.01573	0.4
139.03915	0.9
147.04433	0.5
149.05994	1.9
151.00267	2.1
151.03835	0.5
152.01054	97.1
153.01842	32.3
153.03120	1.2
154.02121	0.8
160.01566	23.1
161.02351	11.0
163.03911	1.0
164.07047	0.8
165.01868	1.6
167.03413	1.3
175.03922	23.0
176.04333	0.9
178.02711	0.8
179.03438	1.0
193.05005	12.1
203.03397	1.9
217.05119	0.6
225.11258	0.7
243.06560	0.9
255.02948	1.3
257.17477	0.6
267.05151	2.4
271.02505	0.8
271.06070	1.2
280.16220	0.5
281.16843	0.6
283.02487	0.9
285.06323	1.6
293.06683	6.8
299.02145	1.5
299.05615	6.0
307.08368	1.6
401.21747	3.3
409.19257	0.5
417.11804	0.6
419.22931	3.5
429.13486	0.6
461.10889	100.0
461.23352	7.7
462.11288	12.7
476.47116	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	461.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.5
61.98705	0.5
64.32150	0.4
69.79303	2.8
71.01247	0.5
78.19727	0.6
78.95770	51.9
79.68525	0.4
89.02308	0.4
96.95875	0.7
96.96836	6.6
98.20534	0.9
111.12650	0.5
121.02824	0.6
132.30798	0.4
143.96895	0.5
150.97937	2.3
152.99484	100.0
153.99760	2.2
171.00543	4.5
180.66116	0.5
207.10089	0.6
225.11339	0.7
285.04178	0.5
291.19543	0.5
305.97391	0.4
461.06918	0.5
461.19479	9.0
461.25406	0.9
462.19965	1.2
483.69861	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	461.109
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
59.01253	7.0
69.03331	2.4
70.31540	1.6
71.01251	1.5
79.01744	0.4
81.03326	1.4
85.02823	1.7
89.02309	0.6
89.03822	0.6
89.22176	0.3
93.98354	0.4
95.01252	1.5
97.02821	1.6
99.04447	0.4
101.02333	0.7
101.93827	0.4
107.01270	0.8
108.02049	58.1
109.02853	20.2
110.03161	0.7
113.02335	0.9
117.03316	1.9
121.02811	0.6
123.00772	1.3
123.04411	0.5
125.02334	2.4
132.02083	3.7
133.02893	2.5
134.03627	21.4
135.00783	1.4
135.04367	0.8
149.06047	1.8
151.00275	1.7
152.01056	91.4
153.01843	31.6
154.02208	0.6
160.01567	20.5
161.02347	10.5
161.04382	0.5
162.02815	0.4
163.03952	0.5
165.01872	0.4
167.03407	1.4
175.03928	19.4
176.04375	1.1
179.03470	1.3
193.04988	11.2
194.05267	0.6
202.02638	0.7
203.03351	2.6
207.10220	0.6
217.04985	0.6
225.11272	1.7
242.02005	0.4
243.02896	0.5
243.06564	0.6
255.02965	0.4
267.05191	2.0
270.01566	0.7
271.02368	0.8
271.38986	0.4
285.06155	2.5
293.06686	7.1
299.01971	0.5
307.08246	1.1
401.21686	0.8
417.11966	1.2
419.22925	0.9
452.69763	0.4
461.10919	100.0
461.24564	2.8
462.11331	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03237	9.6
57.03320	33.3
59.01248	78.1
60.97086	10.0
61.98700	23.4
66.72994	10.3
69.42474	40.9
69.42902	46.7
71.01253	48.2
73.02821	15.6
74.43514	9.7
89.02319	37.7
91.53712	9.5
101.02349	20.5
113.02341	15.2
119.03378	14.4
135.04399	17.7
145.02834	18.7
146.03146	17.8
151.07512	20.3
161.04439	16.1
161.09618	12.2
163.07535	25.3
179.10698	14.7
194.22191	10.1
203.10710	68.6
221.11758	100.0
236.57004	11.6
281.10159	17.5
299.11002	12.3
406.21320	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.6
59.01248	100.0
60.01593	2.4
61.98693	4.0
69.03329	10.6
71.01254	46.6
71.49668	3.5
72.99178	5.3
73.02821	20.1
78.95749	3.0
83.01271	4.2
85.02818	12.5
87.00755	6.4
89.02319	39.4
95.01264	2.6
96.95895	2.9
97.02850	3.5
99.00761	5.7
101.01707	3.5
101.02324	43.5
101.41376	2.0
103.03878	10.6
113.02322	13.3
119.03387	13.1
120.99525	1.8
125.02383	5.2
131.03413	10.4
141.51259	1.6
143.03389	10.0
145.04965	3.2
149.04424	3.1
161.04482	2.2
163.06030	25.6
167.10715	10.2
185.00807	3.6
196.06425	1.8
205.07111	19.3
207.55798	2.3
276.08945	1.8
284.03006	2.0
299.05408	3.7
357.19577	1.8
375.20303	2.7
401.25229	2.1
417.21527	9.9
418.21710	2.5
419.26526	2.9
455.26404	2.0
461.17239	2.3
461.23331	5.4
461.31158	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15310	0.1
51.27428	0.1
55.01764	0.5
57.03311	0.4
58.00475	0.1
59.01250	100.0
60.01580	1.1
69.03307	0.1
69.68896	0.7
71.01253	6.9
72.01626	0.2
72.99198	0.3
73.02824	1.9
74.02356	0.2
83.01250	0.9
85.02822	3.3
85.03293	0.2
87.00777	0.4
87.04383	0.9
87.56918	0.1
89.02316	2.0
89.04942	0.1
95.01263	0.8
97.02842	0.2
98.19851	0.2
99.00749	1.0
101.02319	3.5
113.02332	5.7
114.02680	0.2
119.03400	0.6
120.01186	0.2
125.02396	0.2
129.01880	0.2
135.04411	0.2
143.03435	0.4
157.82126	0.1
159.02885	0.2
161.04462	2.8
179.05652	0.2
181.06909	0.1
255.19743	0.3
279.16101	0.4
399.23883	5.4
400.24185	0.7
417.25003	2.2
418.25562	0.3
459.22281	1.6
459.27634	0.1
460.22870	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
57.03320	1.1
57.10865	0.3
58.00454	0.6
59.01250	100.0
60.01589	0.8
61.98708	0.8
63.36699	0.3
69.03341	0.6
69.45565	0.3
71.01254	16.3
71.21306	0.5
72.01588	0.4
72.99194	0.9
73.02816	5.1
83.01263	2.4
85.02822	5.3
85.03309	0.5
87.00756	1.5
87.04409	1.2
89.02314	7.3
95.01266	1.4
97.02831	0.7
99.00753	1.0
101.02319	9.0
102.02652	0.4
111.00792	0.9
111.32978	0.3
113.02333	9.7
113.03072	0.6
119.03391	2.5
125.02329	0.5
127.05062	0.6
127.86882	0.3
128.03444	0.3
131.03371	0.7
143.03413	0.9
145.06050	0.6
149.04456	0.4
161.04468	3.5
167.10719	2.2
179.05563	1.1
223.13515	0.7
244.63300	0.3
255.16148	0.4
255.19620	0.7
256.83066	0.3
399.23996	5.8
400.24182	0.8
417.25174	6.5
418.25327	0.8
459.22552	7.1
459.29898	1.2
460.22607	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	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
51.47014	1.1
53.31605	1.3
53.95348	1.3
56.47894	1.2
58.40480	1.2
66.64151	1.1
69.98922	1.5
69.99197	6.0
71.97700	1.1
107.04901	30.2
136.70616	1.4
162.92342	1.3
163.11197	100.0
164.11510	4.3
249.90569	1.4
283.17023	23.9
284.17551	3.5
295.17007	16.9
296.17340	2.0
387.27805	1.6
459.29056	64.3
460.29349	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03325	1.2
58.00455	2.0
59.01249	33.4
68.99679	1.0
69.03315	4.0
71.01248	21.6
71.04856	1.2
71.21090	1.2
71.21429	1.1
72.99178	2.9
73.02822	7.4
73.05812	0.7
75.00718	1.0
79.05402	1.2
81.03331	2.2
83.01247	2.4
85.02819	6.8
87.00735	3.0
89.02315	18.8
93.03315	2.2
95.01247	4.0
95.04910	1.2
97.02823	8.2
97.06455	1.5
99.00755	7.3
99.04407	5.6
100.63091	0.7
101.02324	11.5
108.02049	60.8
109.02858	20.1
109.06438	2.4
111.04427	1.3
113.02332	8.9
115.03915	0.9
117.03346	14.3
119.03409	6.4
119.04911	15.4
121.02840	1.2
123.00779	2.2
123.04320	1.9
123.08063	0.8
125.02337	2.7
125.09601	2.1
131.03371	1.0
133.02870	1.0
135.04402	3.4
137.02348	1.4
142.02609	1.8
143.03397	1.9
145.02853	50.6
146.03195	2.0
147.09891	0.9
151.00256	3.9
152.01051	95.6
153.01843	51.2
153.02911	0.6
153.05435	0.9
154.02165	2.6
161.02383	3.8
161.04439	1.5
163.03912	13.8
163.11211	3.8
174.37041	0.9
175.11252	4.3
179.03404	3.0
179.05504	2.2
180.59628	0.9
181.12254	9.9
182.18787	0.9
187.03912	1.1
199.16202	0.9
207.10188	27.6
213.05513	1.1
219.10258	2.2
225.11270	65.5
226.11617	3.6
235.08258	1.4
237.11311	1.0
237.77353	0.8
243.12352	6.4
253.09267	4.5
256.03522	1.1
281.10352	3.2
281.17569	27.5
282.17795	0.9
284.03131	1.1
297.06128	6.4
299.01981	1.1
299.05624	1.9
299.18549	1.0
300.08868	1.0
307.08209	2.5
315.07162	3.9
351.85745	0.9
461.10876	100.0
461.19891	18.4
462.11215	13.4
462.20880	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	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07502	0.2
55.01758	0.2
57.03326	0.9
58.00478	0.4
59.01249	15.0
61.98683	0.5
69.03321	2.3
71.01250	5.7
71.04881	0.7
72.22658	0.2
72.99161	0.3
73.02821	0.9
75.00740	0.2
79.95600	0.3
81.03316	0.3
83.01258	0.7
83.04899	0.6
85.02836	1.5
85.06469	0.5
87.00745	0.5
89.02322	4.8
95.04913	0.4
95.24705	0.2
96.95882	1.0
97.02827	0.2
97.06438	0.2
98.95473	0.8
99.00740	0.3
101.02325	5.4
107.08578	0.2
109.06496	0.6
113.02330	2.2
119.03372	1.6
125.09649	0.4
131.03429	0.2
135.04456	0.2
135.11737	0.2
141.01648	0.6
141.09163	0.4
143.03406	0.6
149.09615	0.7
153.09108	0.2
161.04466	2.0
161.13255	0.4
162.04755	0.2
164.98593	0.3
167.10690	3.6
177.12767	0.7
179.05602	0.7
179.10741	1.3
179.14328	3.6
195.13831	10.4
196.14159	0.7
197.38957	0.2
205.12285	9.6
206.12611	0.8
223.13344	100.0
224.13687	7.0
229.32310	0.2
235.08046	0.9
235.16930	0.2
237.14944	0.5
252.64297	0.2
253.09253	17.1
254.09526	1.0
279.16061	0.5
335.20413	0.2
377.12601	0.3
379.12509	0.4
399.24008	0.3
440.65851	0.2
442.26752	0.2
452.86169	0.2
459.08209	0.7
459.22174	3.2
460.27435	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	459.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28690	0.3
58.97044	0.3
59.01254	2.0
59.38623	0.3
63.37088	0.3
78.95770	7.2
98.20567	0.8
124.99973	3.1
151.28561	0.3
152.99480	1.1
181.02654	1.4
199.03706	4.1
255.86467	0.3
259.20441	0.5
277.21719	100.0
278.22055	9.5
459.25067	4.8
460.25623	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	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.3
59.01248	100.0
60.01585	1.0
69.03325	1.0
71.01255	4.8
71.49110	0.5
72.99188	0.4
73.02808	1.2
75.00747	0.3
79.95598	0.7
83.01247	0.4
85.02820	2.2
87.00773	0.4
89.02337	0.7
95.01283	0.3
95.95127	0.5
96.00787	0.5
96.95882	5.6
97.02827	0.6
99.00774	0.7
101.02326	2.4
103.00271	0.4
111.08061	1.1
113.02351	1.6
113.03368	0.2
117.03401	0.3
119.03442	0.4
119.04913	3.6
122.03654	0.3
123.04443	0.4
125.02348	0.3
130.08615	0.3
132.04442	1.1
134.06049	0.5
139.07544	6.8
140.07959	0.5
145.02834	2.1
152.07065	1.9
152.98683	0.3
161.02457	0.4
161.04460	2.6
178.05081	0.4
195.10167	0.6
203.01961	0.4
203.05629	1.1
210.93663	0.2
241.00383	0.8
279.11435	0.3
298.10834	9.2
322.86530	0.3
327.08817	0.4
339.14392	1.4
357.15552	2.6
358.15936	0.4
374.05466	2.9
374.67514	0.2
394.19904	0.4
397.69781	0.3
399.16531	4.0
399.21271	0.3
400.16873	0.3
411.22638	0.4
416.06500	1.8
416.11411	0.2
459.18466	1.3
459.25681	0.4
460.05450	1.3
460.16544	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	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14440	1.2
52.65407	1.2
57.03326	2.6
58.00468	4.3
59.01252	100.0
66.03400	1.2
69.47443	9.5
71.01254	53.2
71.04914	1.2
72.01599	1.5
72.99180	5.2
73.02823	2.6
83.01250	2.2
85.02829	9.8
85.74702	1.2
87.00764	4.0
89.02318	77.3
90.02670	1.2
95.01267	2.8
99.04393	20.3
100.04713	1.6
101.02325	34.5
106.53960	1.2
113.02326	22.4
113.03529	1.5
119.03400	28.0
121.02843	1.1
123.08039	1.9
128.03377	1.8
130.08644	6.3
131.03424	3.5
133.63414	1.1
135.04416	2.7
135.08044	3.8
141.01918	1.3
143.03403	5.0
149.04517	2.0
161.02388	1.3
161.04453	5.2
161.13272	2.1
173.13309	2.3
179.05544	12.5
191.14290	4.2
199.14801	1.3
235.13383	13.4
279.16016	39.3
280.16370	3.8
459.22739	6.8
460.21942	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	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32574	1.1
53.96393	1.3
55.01746	1.2
57.03312	1.6
59.01250	100.0
60.01562	2.0
62.88332	1.1
69.03310	1.8
69.16973	14.6
71.01250	36.3
72.99162	1.9
73.02814	35.8
74.03127	1.2
76.49198	1.1
81.48649	1.2
83.01260	13.2
85.02830	6.2
87.00771	2.7
87.04307	2.1
89.02311	13.8
90.02646	1.2
95.01268	1.5
99.00716	2.1
101.02321	41.0
113.02329	11.1
119.03364	4.5
127.05020	2.8
131.03398	3.5
143.03391	2.4
145.06075	1.3
145.26837	1.3
149.04428	2.1
161.04491	8.5
167.10666	3.7
171.10246	1.4
193.12238	5.5
279.16049	7.3
279.18628	1.3
356.04688	1.2
358.88696	1.3
373.18799	6.6
399.24103	2.9
415.19730	21.6
416.20123	2.6
417.21213	5.0
459.22211	19.9
459.30444	2.6
460.22318	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	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01588	1.1
61.85437	0.3
65.50907	0.3
70.08955	0.3
71.01254	3.0
73.02823	1.3
83.01278	0.5
85.02797	0.7
87.00767	0.4
89.02299	1.8
96.95888	0.4
98.19760	0.6
101.02313	1.4
107.37454	0.3
113.02335	1.1
119.03394	0.7
119.04940	1.2
128.03491	0.3
130.08604	0.5
142.99599	0.3
143.03456	0.4
145.02850	0.5
150.05435	0.3
152.07072	0.7
161.04472	1.4
177.09154	0.6
179.05586	0.4
195.10255	0.8
298.10944	2.8
339.14563	1.1
357.15576	2.9
358.16064	0.4
380.18350	0.4
399.16629	3.8
400.17038	0.7
459.18542	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	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01580	1.0
61.02741	0.4
64.22370	0.3
69.03319	4.6
69.36420	1.6
69.36838	1.3
71.01250	4.1
72.99184	0.4
73.02819	1.2
73.31052	0.3
83.01279	0.4
85.02829	2.0
89.02325	0.9
95.01265	0.4
97.02826	1.9
98.20583	0.4
99.00778	1.2
101.02324	2.3
104.66814	0.4
109.02800	0.4
111.08082	0.6
113.02345	1.5
119.04891	5.8
119.05626	0.5
123.04427	1.1
124.01714	0.4
126.93277	0.3
129.80106	0.4
130.08662	1.4
134.51501	0.4
135.04381	0.4
139.07535	5.3
141.01907	0.4
145.02818	3.5
151.03906	0.6
152.07022	2.5
152.56194	0.4
161.02353	0.4
161.04486	2.3
162.05519	0.6
178.06816	0.3
181.01308	0.5
185.00877	1.8
193.05045	0.4
195.10347	1.1
203.01944	2.8
203.05577	0.9
203.97816	0.4
216.94307	0.4
254.12457	0.4
272.52051	0.4
298.10840	15.6
324.39917	0.4
339.14636	1.0
347.20444	0.4
357.15530	3.1
358.15967	0.6
399.16492	4.5
400.17072	0.7
460.16589	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	458.9585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31998	0.5
57.03320	2.4
57.04475	0.4
67.01767	0.9
70.22072	0.6
70.66356	1.3
70.66695	0.6
77.95937	0.4
81.06782	0.5
85.02818	11.6
86.03185	0.5
87.00749	22.2
90.53730	0.4
92.26571	0.4
99.27470	0.5
111.00768	73.2
112.01112	1.4
129.01813	4.7
130.99785	0.6
141.23647	0.6
147.57031	0.5
154.99788	0.6
173.00842	4.0
191.01903	100.0
192.02220	3.0
228.97473	0.7
354.94629	0.7
458.95761	1.3
483.04004	0.6
483.54581	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	459.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.0
61.29547	0.4
61.98689	0.9
71.01243	2.0
75.00752	2.3
78.95780	0.9
79.95613	1.3
80.96390	0.6
83.44579	0.4
85.02818	1.5
87.00758	0.6
89.02320	0.6
96.95892	7.3
99.00747	0.9
101.02289	0.6
102.94657	0.5
104.48988	0.4
113.02334	3.4
118.94086	4.9
121.02839	100.0
122.03199	3.2
136.66748	0.4
136.95186	0.5
144.76021	0.4
152.07048	0.7
160.95190	1.0
180.05751	1.3
180.98151	0.5
181.06514	5.7
182.06804	0.5
209.04393	0.7
209.11732	1.0
225.05513	7.6
232.97351	0.5
262.98376	1.7
309.20715	2.0
313.07169	19.6
314.07465	1.7
357.06149	5.3
401.08746	67.3
402.09070	7.0
417.11954	2.5
421.47607	0.5
458.25995	0.6
461.11057	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	459.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51050	1.3
53.85256	1.4
55.15985	1.5
59.01010	1.6
59.01253	22.6
67.61404	1.6
68.67649	1.7
71.01258	10.5
71.49409	2.0
72.99185	3.5
73.02816	3.5
74.02348	4.0
77.07280	1.5
83.01261	2.1
85.02839	3.1
86.72047	1.6
89.02312	6.8
96.95877	1.6
101.02362	7.2
113.02324	3.5
117.03316	3.3
119.03372	1.9
121.04955	3.4
128.03426	5.4
130.08604	3.5
132.02068	13.9
134.02679	3.0
134.03632	35.5
145.02916	1.6
146.04564	2.4
149.06026	3.6
160.01575	78.6
161.02190	3.1
167.80739	1.5
175.03931	100.0
176.04279	6.1
192.10995	2.2
193.05002	52.2
230.13989	1.6
235.06068	5.8
298.11081	1.8
358.46774	1.7
380.18268	4.4
411.27280	1.7
424.20862	2.1
442.05542	1.7
459.15036	73.8
459.24014	7.6
460.15298	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	459.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20052	1.0
53.56163	1.0
56.50386	1.0
57.03331	1.0
59.01249	100.0
64.03147	1.0
67.24303	1.1
71.01247	15.2
71.49458	2.3
72.99178	1.2
73.02814	5.6
74.02344	2.8
83.01241	2.6
85.02825	6.5
87.00746	1.1
89.02313	7.2
95.01228	1.5
99.00780	1.8
101.02314	8.8
102.05476	2.6
113.02309	8.4
119.03413	1.8
128.03407	3.0
155.10562	1.2
161.04428	2.2
187.31024	1.2
195.06563	1.8
202.16869	1.2
211.13326	3.8
223.13422	1.7
331.24841	2.4
343.21100	1.9
373.18628	3.3
399.23947	1.5
415.19711	8.9
417.21213	1.9
459.22391	4.7
460.28476	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	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54881	0.3
59.01250	100.0
60.01587	0.9
66.97340	0.3
71.01251	2.8
73.02824	1.7
79.19019	0.4
83.01265	0.6
85.02827	1.1
89.02342	1.1
93.84882	0.3
96.95918	0.4
101.02332	2.0
113.02319	2.4
119.03433	0.4
128.03525	0.4
135.04378	0.4
161.04462	0.9
163.03983	1.4
178.06325	0.8
193.08626	1.9
253.18201	1.1
271.30103	0.4
397.22263	4.4
398.22675	0.4
415.23288	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	457.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82896	0.8
70.83231	0.8
99.92459	5.6
100.93261	2.7
115.91965	100.0
116.91964	4.6
116.92753	6.7
116.98727	0.5
127.14986	0.6
129.44896	0.4
132.92244	1.4
153.79144	0.5
162.61273	0.5
172.95383	5.4
383.19427	0.5
428.01309	0.5
457.22607	4.1
458.22720	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	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57184	0.4
54.47426	0.4
55.01769	0.7
57.03314	0.8
58.00469	0.7
59.01251	100.0
60.01591	1.2
69.03322	0.7
69.28836	3.6
71.01253	18.0
72.99172	0.9
73.02819	13.4
83.01266	3.0
85.02824	7.0
87.00769	1.1
89.02323	5.7
95.01275	2.1
96.00844	0.5
96.95855	0.5
97.02859	0.7
99.00773	1.7
101.02329	10.6
111.00777	0.5
113.02331	10.2
113.03078	0.6
118.83637	0.4
119.03400	1.5
125.02364	0.7
131.03493	0.4
143.03452	1.1
145.02901	0.5
159.02905	0.8
161.04451	2.9
172.42372	0.4
173.13255	1.8
179.14424	0.9
231.90105	0.4
235.13547	0.6
253.18057	6.8
254.18459	0.5
269.00677	0.4
349.20319	0.5
397.22287	23.1
398.22772	3.2
415.23483	13.1
415.28769	0.7
416.23914	1.6
439.25766	0.8
457.21063	4.6
457.26056	1.2
458.20877	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	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34027	0.3
52.37557	0.2
55.01752	0.6
57.03321	1.1
58.00478	0.4
59.01249	100.0
60.01581	1.3
60.47953	0.2
60.73708	0.2
61.98702	0.9
69.03337	0.4
69.38608	1.5
69.39027	0.6
69.72086	0.2
71.01250	14.1
72.99181	1.0
73.02817	10.2
75.00751	0.4
81.03348	0.4
83.01263	2.3
84.01558	0.3
85.02821	7.1
86.03188	0.4
87.00769	0.9
89.02318	4.4
95.01258	1.8
96.95894	0.7
97.02843	0.6
99.00767	1.8
101.02325	8.7
111.00763	0.6
112.01545	0.5
113.02326	9.3
119.03370	1.2
125.02341	0.8
131.03412	0.3
143.03400	1.0
145.02885	0.9
146.03230	0.3
148.04066	0.3
159.02910	0.4
161.04472	2.9
165.09167	0.5
170.83684	0.2
171.10193	0.2
178.06313	0.3
179.14346	0.9
209.08116	1.7
245.16998	0.3
250.34680	0.3
251.16539	0.4
253.18042	5.2
254.18329	0.4
295.19168	0.4
297.17319	0.5
328.45502	0.2
397.22278	23.2
398.22711	3.1
415.23373	12.0
416.23764	1.3
457.24451	4.1
457.30344	0.3
458.24841	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
55.03916	0.3
57.03316	0.8
58.00466	0.9
59.01249	100.0
60.01583	0.7
61.98698	0.5
69.03326	1.0
70.97823	0.7
71.01252	15.0
72.99188	1.5
73.02815	4.5
75.00765	0.4
79.95607	8.1
80.96394	3.6
82.04304	0.3
83.01266	2.0
85.02821	5.9
87.00760	1.1
89.02312	7.4
95.01269	1.3
95.95131	0.5
96.95885	85.4
97.02809	0.8
97.95775	0.4
98.95485	0.8
99.00772	1.2
101.02320	11.2
102.02681	0.4
103.00254	4.6
113.02332	7.4
119.03391	3.1
122.97482	0.4
125.02315	1.0
128.03429	0.4
131.03423	0.4
137.96156	0.8
138.96964	1.9
143.03401	1.5
150.96980	0.6
152.98543	0.7
154.02180	0.3
159.02876	0.4
161.04448	3.7
164.98550	2.9
179.05634	0.7
180.98059	1.0
199.21017	0.3
203.05602	0.3
204.98039	1.0
217.15797	0.4
222.99065	1.5
235.16925	0.4
238.98499	0.4
241.00160	2.7
251.09413	0.4
253.17995	1.2
265.18036	0.9
277.14417	1.6
283.01340	0.7
353.12747	1.1
371.13788	57.5
372.14102	6.2
377.12659	2.1
397.22299	5.7
398.22632	0.6
413.14850	34.0
414.15179	4.6
415.23370	7.3
416.23792	0.7
439.12558	0.7
457.08304	1.6
457.13840	14.8
458.13937	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	457.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87307	0.4
57.50235	0.5
58.02858	2.3
59.01249	20.3
60.01577	0.6
61.98700	1.7
66.73685	0.5
67.01766	0.4
69.03329	0.9
69.56842	0.8
69.57262	2.8
70.02865	0.5
71.01257	3.2
72.99165	0.5
73.02824	1.7
73.03942	14.8
74.02357	0.6
77.52958	0.5
78.95809	0.8
80.04943	0.7
84.00739	0.5
84.36800	0.4
85.02843	0.8
87.05514	3.4
88.03923	0.9
89.02315	1.6
93.03378	0.4
96.95892	0.5
97.02869	0.6
97.03925	3.6
98.02349	1.8
98.19843	0.8
99.05503	0.5
101.02328	2.5
110.02333	1.0
112.07523	0.5
113.02325	1.4
115.05017	33.1
119.03313	0.5
126.06638	3.5
127.05025	1.2
129.10220	1.4
130.08629	67.5
131.08968	2.4
140.07056	2.2
141.06595	0.8
143.11880	0.7
144.07664	2.2
153.10225	2.1
155.11806	2.7
157.13411	1.2
161.04465	0.8
166.08603	1.0
168.07671	3.2
168.08957	1.6
169.06133	0.9
169.09644	0.6
182.15425	0.7
183.11313	3.2
186.08806	1.6
199.18086	9.9
200.70972	0.5
209.16603	0.9
214.15550	1.7
225.16045	1.9
235.13196	1.0
238.15536	1.3
243.17119	3.3
245.13786	0.8
252.20711	0.6
270.21863	20.0
271.22235	0.9
314.20901	3.4
327.23969	3.4
369.24963	1.3
371.23154	0.5
413.24002	100.0
414.24231	10.9
439.25659	2.3
457.20819	1.8
457.26520	19.7
458.27365	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	457.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	6.7
69.92545	9.0
71.01234	2.3
78.95776	4.5
79.63396	1.7
79.76487	1.6
89.02325	2.1
89.31850	1.7
165.60133	1.6
179.05533	4.1
239.10759	2.2
274.43008	1.9
277.21747	30.5
278.22192	2.8
283.92606	1.9
357.49664	2.3
369.87827	1.9
456.35696	20.1
457.36008	100.0
458.36417	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	457.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00042	0.3
56.05238	0.3
59.00956	0.7
59.01247	12.5
69.36037	0.3
69.40252	2.4
69.40675	0.6
71.01244	1.3
73.02797	0.8
79.95603	5.6
80.96381	2.9
83.01260	0.7
85.02808	1.3
89.66908	0.3
95.95084	0.4
96.08392	0.4
96.95885	100.0
97.02899	0.3
97.95834	0.4
98.20527	0.8
99.00756	0.4
101.02322	2.3
103.00249	6.8
104.73579	0.3
113.02335	0.6
114.88126	0.3
120.95856	0.4
122.97469	0.5
138.96924	0.8
142.19707	0.4
150.04161	0.4
152.30725	0.3
152.98502	1.1
163.24020	0.3
164.98518	2.5
180.98012	2.3
222.25363	0.3
241.00258	2.5
353.12622	1.3
371.13763	74.6
372.14099	6.3
413.14847	26.5
414.15170	2.3
439.12747	1.3
440.86954	0.4
457.13824	15.6
458.13989	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	457.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.0
69.52353	3.0
71.01244	1.7
73.02825	0.4
76.96911	0.4
79.95608	6.0
80.96389	2.6
83.01242	0.5
85.02819	1.1
96.95888	100.0
101.02324	2.4
103.00246	9.1
103.00893	0.6
113.02317	0.9
122.97447	0.4
138.03139	0.7
138.96954	0.9
143.03456	0.4
150.96967	0.7
152.98550	1.3
153.05450	0.9
157.18001	0.3
161.04509	0.4
164.98508	2.4
180.98018	2.4
241.00180	3.7
291.18185	0.5
353.12622	1.9
371.13782	94.0
372.14069	8.9
413.14859	37.5
414.15231	4.1
439.12866	1.5
457.13834	23.2
458.14188	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	455.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.3
63.66601	0.2
70.64820	0.6
70.65153	0.4
77.00789	0.3
78.95776	7.3
96.96816	0.7
130.95161	0.3
152.99496	15.1
171.00558	0.8
227.03206	3.4
227.20125	100.0
228.20485	7.9
245.04314	1.4
403.69293	0.3
455.24142	21.2
455.35031	1.3
456.24454	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	455.3532
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
71.50464	0.4
86.57054	0.3
121.06211	0.4
153.09132	0.5
155.60915	0.4
181.38293	0.4
243.50557	0.4
304.05490	0.4
308.80554	0.4
455.35284	100.0
456.35620	17.9
482.19324	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	456.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02832	0.3
59.01249	11.4
61.98709	0.5
67.44943	0.2
69.03327	0.5
71.01252	2.2
71.49813	0.3
72.99197	0.3
73.02809	1.2
75.23009	0.2
78.95773	0.2
83.01268	0.4
84.04446	0.3
85.02833	1.1
89.02321	0.8
92.04933	1.0
96.95883	0.3
99.00739	0.3
101.02322	1.4
101.07085	0.4
107.02281	0.2
108.02019	0.6
108.22588	0.2
109.03949	0.7
113.02307	1.2
117.03345	23.7
118.03667	1.0
118.04413	0.3
119.03389	0.4
120.04436	1.0
125.02376	0.3
125.09548	0.3
127.05028	3.0
128.03432	1.1
128.05368	0.6
130.02869	0.8
131.03621	0.8
133.02797	0.5
145.02850	100.0
145.05959	2.7
146.03209	4.9
146.06432	0.3
147.03151	0.6
148.03938	32.2
149.04295	1.5
152.01041	1.1
153.01422	0.6
161.02388	1.2
161.04451	0.3
176.36458	0.2
179.05618	0.3
294.07709	38.7
295.07993	3.4
438.26740	0.3
455.27606	1.9
455.35077	0.7
456.12485	5.4
456.27899	5.6
456.34860	0.3
457.13541	0.9
457.20709	1.3
457.27219	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	453.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69371	0.6
59.52927	0.8
60.67428	0.8
70.42755	0.8
70.98459	1.4
70.98790	1.2
78.95773	47.6
96.34908	0.7
96.96863	2.9
102.27962	0.7
125.68378	0.8
152.99490	59.9
171.00552	19.2
225.18556	68.9
226.18878	6.0
227.03241	3.5
245.04291	100.0
246.04697	4.3
327.34177	0.9
453.22595	33.8
454.22815	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	455.0974
Annotation	FMN
Peak:m/z	Relative Intensity
53.50688	0.5
58.75151	0.4
59.01252	0.5
62.96282	0.4
68.69561	0.4
71.49893	0.6
77.76887	0.6
78.95776	75.8
81.64817	0.5
96.96841	100.0
107.82557	0.5
112.84639	0.4
138.97910	3.4
144.08058	0.9
184.08743	0.7
198.06685	1.7
199.00053	13.0
199.01794	0.9
212.08194	4.1
213.01631	10.8
241.07288	4.9
242.07713	0.5
255.08862	5.9
455.09729	25.9
455.35471	0.6
456.09818	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	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.0
55.93146	1.4
57.03317	2.8
59.01250	55.0
61.98691	2.9
68.78533	1.2
69.03323	2.7
69.40189	11.7
71.01259	35.2
71.44438	1.4
72.99173	2.3
73.02829	10.8
78.95755	4.8
79.85159	1.5
83.01270	7.1
85.02829	16.4
87.00739	3.2
89.02317	20.1
96.95914	1.7
96.96853	2.0
97.02843	3.1
99.00745	5.5
99.69952	1.4
99.92484	1.7
101.02320	38.5
101.03005	1.9
107.04925	1.7
111.00763	4.4
113.02338	11.3
115.91945	3.3
116.92741	13.1
125.02332	3.4
129.01837	2.2
130.08588	2.4
131.03407	13.7
135.04402	4.8
143.03412	2.0
145.02803	3.6
149.04427	5.0
159.02849	1.9
161.02313	4.9
161.04434	7.9
166.37041	1.5
176.61194	1.4
191.05475	2.8
228.34267	1.4
263.14978	33.4
264.15402	1.7
294.44446	1.3
357.08923	2.3
395.19199	100.0
396.19537	12.1
455.19177	3.4
455.34891	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	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44399	0.2
62.96276	0.3
69.26448	0.2
69.92347	0.4
69.92742	0.3
78.95776	21.9
96.96815	0.3
99.46756	0.2
102.05653	0.2
122.00029	0.6
140.00040	0.3
140.01086	5.0
152.99490	2.5
166.02618	0.4
171.00548	0.7
171.81912	0.2
196.03729	9.7
214.04811	2.6
237.22215	0.2
255.23262	100.0
256.23627	9.0
452.27811	28.0
453.28177	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	453.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28935	0.5
55.01765	3.0
57.66784	0.4
59.01250	1.5
66.03365	0.5
67.01748	0.5
69.03325	100.0
70.03661	1.9
71.01251	1.1
71.06655	0.7
71.06981	0.5
72.99176	1.5
78.95758	1.1
79.01779	1.2
85.02823	1.1
89.02277	0.5
89.88400	0.4
95.01284	2.6
96.95911	0.7
96.96830	1.2
97.00420	0.4
97.02825	19.7
98.03185	0.5
99.00758	23.1
100.01125	0.6
109.45643	0.4
110.02357	0.5
111.18654	0.4
113.02318	0.9
123.00764	1.1
134.03625	5.4
141.01834	6.3
149.05966	2.7
157.08633	0.8
158.79329	0.5
160.01483	0.6
165.01866	0.8
168.77802	0.5
175.03978	0.8
176.04324	0.6
185.00839	69.7
186.01192	2.9
186.85287	0.4
193.04971	0.8
195.06532	1.5
228.40410	0.5
267.08768	2.1
453.10519	1.6
453.20114	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	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43393	0.4
61.18500	0.3
67.20262	0.3
71.01231	0.3
71.49722	0.4
71.50109	0.6
78.95774	16.3
92.72283	0.4
95.91382	0.3
96.96846	0.7
101.47346	0.4
105.28063	0.3
109.12699	0.3
117.13589	0.4
121.32311	0.3
126.47884	0.3
134.15398	0.3
140.01042	1.8
152.99481	3.1
171.00558	2.4
196.03712	0.8
199.31154	0.4
208.85028	0.3
214.04803	2.9
255.23271	100.0
256.23621	8.2
368.05850	0.4
393.19455	1.9
452.27750	13.0
452.33752	0.8
453.27829	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	451.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71652	0.8
59.01249	100.0
61.98691	2.5
65.18211	0.8
71.01229	0.9
71.49358	1.2
71.49763	1.0
73.98952	0.9
75.90184	0.9
78.18174	0.8
78.95782	5.4
81.03329	3.6
83.04890	14.6
103.81292	0.8
152.99493	3.2
391.29654	41.6
392.29953	4.9
451.15454	2.8
451.22974	0.9
451.32098	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	451.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01585	1.5
61.98688	1.6
67.54930	1.1
71.49863	1.5
78.95760	2.0
81.03326	1.8
83.04892	11.8
85.72087	1.0
96.95891	1.8
98.30862	1.0
237.75406	1.2
391.24460	1.8
391.29666	37.9
392.29950	4.2
451.15515	1.4
451.32574	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	451.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	0.3
59.01249	0.4
67.59105	0.1
69.03318	0.1
69.18001	0.8
69.18423	0.1
70.81371	0.1
71.01257	0.2
72.04416	0.1
72.55796	0.1
78.72121	0.1
80.04536	0.1
80.04919	0.4
81.03331	8.2
82.03674	0.3
83.04894	22.3
84.05230	0.6
85.02739	0.1
87.15484	0.1
89.02332	0.2
100.07571	0.3
107.06026	0.8
108.04429	0.9
119.04890	0.1
125.02332	0.1
125.07100	2.7
126.05497	0.5
126.07504	0.1
140.10730	0.1
143.08147	1.3
149.04453	0.1
166.12259	0.1
175.03918	0.2
188.71213	0.1
191.05582	0.1
194.04512	0.1
199.18127	0.1
207.14967	2.7
208.13380	0.2
219.06703	0.1
224.17628	3.7
225.16034	10.6
226.16309	0.7
242.18716	1.6
250.15559	0.3
266.18893	0.1
268.16745	0.3
283.54630	0.1
290.22394	0.3
292.20349	0.1
306.21896	0.2
307.23914	0.2
309.21826	0.4
324.26523	1.5
325.26947	0.2
333.22943	3.9
334.23083	0.3
339.27493	0.2
341.29474	0.1
351.23981	0.8
352.24234	0.1
367.27051	1.1
368.27054	0.1
385.28140	0.3
385.99854	0.1
406.30673	0.1
433.31808	5.0
434.32080	0.6
451.32855	100.0
452.33182	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.2
59.00958	3.8
59.01252	73.2
61.98698	17.6
70.85275	8.9
71.01247	15.9
73.02808	4.0
74.39966	2.7
83.01250	2.6
85.02840	7.9
87.00771	2.6
87.40682	2.5
89.02328	6.1
93.03329	3.9
95.01303	2.9
96.95879	7.1
99.00753	6.9
101.02322	13.9
113.02312	10.1
119.01248	3.1
119.03406	2.8
132.02054	10.2
148.03938	15.0
149.02333	8.7
149.04529	4.1
150.05508	24.8
151.05836	7.1
160.01575	29.6
160.03946	4.8
161.02084	15.4
161.04468	3.7
162.02115	3.9
163.82765	2.5
164.04660	6.1
165.04965	3.0
166.02631	2.5
175.00253	5.8
175.03929	54.0
176.00659	2.7
176.04312	20.3
177.04475	6.4
187.13412	2.5
190.02663	14.5
191.03018	9.3
191.05437	3.4
194.04535	17.6
195.04860	6.4
203.12898	3.5
203.45552	2.7
205.05003	20.6
206.05322	6.3
207.05489	2.3
211.13258	4.1
223.06073	7.4
224.06447	7.1
229.14406	100.0
230.14719	5.5
268.06113	2.7
271.15643	3.7
289.16547	4.4
326.10312	6.1
327.10883	4.3
328.10858	2.9
347.17224	7.4
363.31155	2.7
365.17975	18.0
407.06659	3.5
407.18982	22.3
436.14059	2.6
451.16122	3.0
451.21844	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63842	0.8
57.33220	0.6
59.01250	100.0
60.01585	1.2
61.98719	1.2
63.98131	0.7
69.38937	4.9
71.01250	12.1
73.02799	3.6
78.95840	1.1
83.01267	1.7
85.02393	0.8
85.02815	3.5
86.00005	1.6
87.00750	4.2
89.02338	2.2
93.03338	1.3
94.47814	0.7
98.19869	1.7
99.00774	1.6
101.02330	6.7
113.02333	3.7
119.03406	1.0
126.53506	0.8
143.10672	0.8
159.03003	0.9
161.02396	2.5
161.04462	5.1
173.04512	0.9
215.12843	3.8
271.30219	0.7
287.15051	7.1
305.16040	11.3
306.16516	1.2
347.17154	9.1
348.17810	1.0
386.05548	0.8
442.95508	0.7
451.15878	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	450.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43389	1.4
54.33241	1.2
55.27744	1.2
59.01250	35.8
61.98704	100.0
70.34748	1.4
71.01257	7.4
71.49559	2.1
85.02823	3.0
89.02318	5.1
92.42883	1.2
96.95923	1.7
101.02319	4.6
102.48055	1.5
113.02290	3.5
114.94908	1.1
122.63222	1.3
125.07464	1.6
132.02066	1.5
139.28934	1.4
147.62943	1.3
150.05473	1.5
160.01584	3.7
161.02348	2.0
175.03963	3.7
187.13287	1.7
190.02600	1.4
207.10135	3.0
331.17694	1.9
347.20413	1.3
349.18417	1.6
387.16620	38.2
388.16983	3.7
391.19662	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	450.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.3
62.78807	0.2
70.62913	0.5
78.95770	6.4
96.96824	0.3
115.73601	0.2
124.96928	0.2
132.55679	0.2
140.01089	1.9
152.99481	1.3
196.03740	1.2
203.89903	0.2
214.04765	2.2
253.21692	100.0
254.22047	8.3
354.65680	0.2
450.26245	7.8
451.26645	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	451.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.3
61.98697	1.1
69.03319	4.1
71.01249	2.2
71.49648	0.6
71.50000	0.5
72.99174	0.5
73.02843	0.4
78.95751	0.7
79.95604	4.6
80.96385	1.8
85.02815	1.3
87.00757	0.7
93.03349	1.2
95.01300	0.5
96.95890	56.3
97.02829	1.3
99.00774	1.6
101.02312	1.8
113.02322	1.3
122.06010	0.4
137.96158	0.8
138.96954	1.6
150.96948	0.6
152.98491	0.4
173.04489	0.9
180.98085	0.9
185.00844	2.1
223.13326	2.9
229.78972	0.4
230.12697	0.4
240.57927	0.5
241.00204	6.4
371.13794	100.0
372.14120	9.2
383.87131	0.4
393.03018	0.5
395.51123	0.4
451.17642	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	449.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03319	0.8
58.00465	0.7
58.55986	0.4
59.01250	15.7
60.01581	0.5
61.01665	0.5
61.98679	0.5
66.21651	0.3
67.01756	1.4
69.03304	0.6
71.01252	10.9
72.01576	0.6
72.99176	1.1
73.02830	2.6
78.95789	0.6
83.01261	2.1
85.02821	5.1
87.00764	2.7
89.02310	5.4
90.02672	0.5
90.79999	0.3
91.02737	0.6
93.03329	5.8
95.01271	0.8
96.95893	0.5
97.02835	0.5
98.20834	0.3
99.00758	1.2
101.01707	0.5
101.02323	6.0
102.02682	0.5
111.00765	0.7
111.04401	1.0
112.01565	0.5
113.02322	2.9
113.09639	0.6
119.03376	1.1
120.31048	0.3
121.02853	0.7
124.01555	0.7
125.02328	0.6
127.11179	1.3
129.01891	0.5
130.95654	0.3
131.03395	1.1
134.03624	0.9
135.04399	2.2
143.03358	0.5
144.74207	0.4
149.04462	1.4
150.04785	0.5
151.05014	0.4
156.96536	0.3
157.12262	0.3
160.01543	0.9
162.03123	0.6
165.05502	1.9
173.04468	3.5
191.05534	14.5
192.06026	0.8
206.32484	0.4
225.07616	1.9
241.21771	0.8
257.08197	0.7
269.21185	3.7
275.09103	0.5
285.20581	0.5
287.22266	32.4
288.22653	3.0
299.22385	0.6
301.23779	0.4
308.08823	0.5
351.07007	0.4
352.07715	0.4
431.26498	1.9
449.15018	2.7
449.27545	100.0
450.27902	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	449.2754
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
51.06105	0.2
55.01763	1.3
57.03315	1.2
58.00462	0.8
59.01252	13.7
61.98706	0.7
67.01756	0.5
69.03329	0.5
69.70068	0.2
71.01256	11.8
71.04959	0.4
71.05309	0.5
72.99173	1.6
73.02822	2.6
83.01262	2.5
84.68308	0.3
85.02825	5.6
85.03304	0.5
85.99948	0.4
87.00746	2.0
89.02310	2.0
93.03336	4.3
95.01265	0.7
96.95859	0.4
97.02818	0.4
99.00736	1.3
99.08033	0.7
101.02319	6.1
109.02895	0.2
111.00764	0.9
111.04408	0.6
113.02338	2.9
113.09653	0.3
119.03391	0.5
124.01576	0.2
125.02327	0.5
127.03894	0.2
129.01825	0.3
134.03622	0.9
135.04427	1.0
141.01950	0.2
141.12733	0.9
145.33678	0.3
155.14374	0.3
160.01573	0.4
173.04433	2.1
191.05557	6.2
241.21628	0.4
269.21243	2.5
270.21680	0.5
285.20773	0.9
287.22281	28.9
288.22665	2.9
299.22089	0.5
301.23761	0.4
328.80414	0.3
329.23361	0.4
352.08069	0.3
369.05170	0.2
431.26407	1.7
449.27548	100.0
450.27884	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	449.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14506	0.2
59.01270	0.3
62.96259	0.4
70.52058	0.5
73.02785	0.2
78.95773	52.7
84.54439	0.2
90.51289	0.2
96.96839	6.5
99.30390	0.2
113.00134	0.2
116.92751	0.9
117.03323	0.3
132.72514	0.2
133.02849	3.6
134.03629	1.0
135.04417	6.2
136.04755	0.2
137.02341	0.6
150.97937	1.7
152.99487	100.0
153.99832	1.5
154.99927	0.4
161.02347	18.9
162.02686	0.5
171.00542	3.8
179.03383	2.2
235.47929	0.3
245.50252	0.2
277.22086	0.3
287.22250	2.1
295.22870	0.8
305.34613	0.2
431.24628	0.8
449.24713	13.1
450.24152	1.8
466.66696	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	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90137	0.2
59.01242	0.3
62.96248	0.2
67.72296	0.2
70.79166	0.6
78.95775	48.6
90.72470	0.2
96.81975	0.2
96.96840	6.8
110.97379	0.2
150.97891	1.8
152.99489	100.0
153.99826	1.6
171.00543	4.2
176.61189	0.2
287.80551	0.2
295.22794	0.3
449.23074	10.8
450.23560	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	449.239
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
54.56296	0.3
54.95086	0.3
55.01759	0.5
57.03312	0.7
59.01249	100.0
60.01591	1.3
61.67859	0.3
70.49589	0.3
70.58242	0.3
71.01253	5.6
71.36371	0.4
71.36696	0.3
73.02819	2.7
75.00773	0.3
83.01253	1.7
84.98046	0.3
85.02830	3.3
86.00000	0.4
87.00758	0.7
89.02320	0.5
90.27058	0.3
93.03361	0.6
95.01266	0.5
97.93953	0.3
99.00745	1.1
101.02312	7.3
113.02307	3.1
125.02340	0.3
143.03444	0.3
159.02965	0.5
161.04440	1.6
173.04344	0.4
191.05490	0.4
347.20773	3.2
348.21155	0.6
371.94736	0.3
382.35440	0.3
389.21658	0.9
392.61960	0.3
397.18890	0.3
407.22696	1.9
431.22906	0.6
449.23883	79.1
450.17999	0.8
450.24234	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83007	0.3
53.99899	0.2
55.01751	0.6
57.03320	2.5
58.00465	1.8
59.01250	82.4
60.01593	1.0
60.99175	0.3
61.98713	0.5
62.88989	0.3
70.78703	0.7
71.01254	19.3
72.99184	2.0
73.02821	0.6
75.30831	0.2
82.38041	0.3
83.01259	1.2
83.04889	0.9
85.02826	4.9
87.00758	0.6
88.03877	0.3
89.02316	19.9
93.03368	0.4
95.01289	1.3
95.04899	0.3
96.95911	0.7
97.06466	0.5
99.04396	8.8
101.02330	9.4
109.06462	0.7
110.25073	0.3
113.02331	7.6
119.03391	6.4
121.06474	0.3
125.02345	0.8
131.03384	0.7
134.30403	0.4
135.04384	0.3
143.03423	0.8
149.04460	0.4
161.04509	0.6
163.11212	0.6
165.12767	4.9
166.13116	0.3
179.05487	1.3
189.12839	1.1
191.05568	1.5
191.10712	0.5
207.13847	10.0
208.14249	0.6
209.11769	27.5
210.12077	1.7
225.14906	16.3
226.15268	0.8
227.12871	0.7
231.03014	0.3
243.15985	0.7
251.12878	6.3
252.13150	0.5
269.13931	100.0
270.14282	7.4
287.09103	0.5
287.14996	2.2
338.67245	0.3
348.22409	0.3
389.17752	0.6
404.08600	0.3
405.21475	1.6
431.19012	1.0
449.20224	83.9
450.14371	0.5
450.20612	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	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13622	0.2
57.03336	0.7
59.01250	100.0
60.01577	1.2
61.98701	23.8
68.08528	0.2
69.03339	0.3
69.31731	1.6
69.32135	0.6
71.01258	3.6
72.99198	0.3
73.02826	1.0
74.02345	0.7
81.58635	0.2
83.01271	0.6
85.02817	1.4
87.00768	0.9
89.02347	0.8
93.03343	2.7
96.95915	0.9
99.00755	0.8
99.92475	0.7
101.02323	2.3
111.04407	0.4
113.02335	1.2
113.09618	0.9
115.91956	1.8
116.03429	0.4
116.92747	5.6
116.93524	0.4
117.92764	0.5
119.03416	0.3
121.02840	2.1
122.05212	0.2
122.05991	1.4
134.03726	0.3
135.04495	0.3
137.02347	0.3
145.96187	0.2
152.07068	3.0
152.08067	0.3
161.04488	0.7
173.04439	1.5
185.11765	6.9
186.12184	0.3
190.04996	1.5
191.05559	1.5
193.63409	0.3
219.29881	0.2
222.07669	1.4
227.07137	0.3
228.07841	0.9
241.00516	0.2
243.10233	1.6
283.69199	0.3
287.09418	0.3
287.22223	0.6
329.16275	0.4
347.17209	1.6
347.20715	0.4
363.07629	0.3
387.15591	5.3
389.17816	1.3
389.22171	0.7
407.22568	1.4
449.07736	0.8
449.14651	5.1
449.24036	10.7
450.14801	0.6
450.23975	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	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.95244	0.4
59.01236	1.2
62.96279	28.8
65.41801	0.4
69.03016	0.3
69.85361	1.9
71.01218	0.4
78.95776	69.9
80.37973	0.3
80.63124	0.3
80.97341	37.5
96.96822	0.5
103.49471	0.4
149.00002	14.3
151.01514	0.5
152.99507	3.4
164.38005	0.3
179.01064	1.6
182.08313	0.4
205.15919	8.3
206.16226	0.6
242.98254	5.5
278.66104	0.4
285.12674	2.1
355.16791	19.6
356.17203	2.0
366.14197	0.4
385.17834	26.9
386.18176	2.4
449.14978	100.0
450.15378	11.6
450.20111	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	449.1451
Annotation	Asebotin
Peak:m/z	Relative Intensity
51.01951	0.3
57.03307	0.7
57.44700	0.4
58.00463	0.3
59.01247	18.2
60.99166	0.5
61.07396	0.3
61.68587	0.3
61.98693	0.9
63.02263	0.4
65.00221	0.5
67.01743	1.2
69.03321	0.6
69.14417	3.6
69.14828	0.5
71.01241	3.3
71.07530	0.3
73.02798	1.2
74.02349	0.6
74.88541	0.3
78.95784	0.7
81.03317	0.5
83.01257	0.8
85.02819	1.9
87.00742	2.1
88.64294	0.4
89.02326	0.7
91.01761	0.4
93.03332	15.9
94.03693	0.5
95.01236	0.6
96.95884	4.4
97.02850	0.7
98.95462	4.5
98.96246	0.8
99.00758	0.6
101.02303	1.9
105.03349	2.6
109.02798	0.7
111.04382	1.2
113.02325	1.8
119.04884	1.0
121.02796	0.4
122.03613	1.2
124.01556	6.7
129.01807	0.4
134.03606	0.9
135.04405	1.0
137.02330	1.6
137.05977	5.8
139.03906	13.7
140.04213	0.6
148.05223	0.4
151.00290	0.9
151.03928	0.4
152.01035	3.1
152.99512	0.4
155.03261	0.4
161.04439	0.5
165.01814	3.7
166.02620	6.7
173.04462	6.5
177.01834	0.7
177.12808	0.5
178.02625	0.8
181.04974	100.0
182.05316	4.2
191.05545	4.0
193.04971	5.4
211.13347	3.8
212.13651	2.7
213.13986	1.3
231.10280	0.5
233.14929	0.4
241.00191	0.4
242.99863	0.6
245.04231	1.1
253.09361	0.6
254.09589	0.4
257.08127	0.4
275.09286	0.6
285.01123	0.6
287.09238	67.7
288.09573	6.7
301.74817	0.5
389.25632	0.7
407.08578	2.1
407.26517	0.8
449.14542	39.7
449.27695	1.2
450.14871	4.9
457.41141	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51838	0.3
59.01253	14.8
59.03312	0.2
60.01576	1.5
61.98701	100.0
69.66645	1.7
71.01254	1.9
73.02817	0.5
85.02827	0.5
89.02319	1.8
93.64679	0.3
101.02338	1.0
102.02689	0.3
113.02331	0.8
119.03394	0.4
125.02346	1.3
139.66162	0.3
153.09126	0.7
161.04469	0.4
178.99750	0.5
179.05515	0.4
215.07239	0.3
259.06116	0.7
269.04584	0.9
287.05588	1.0
388.20435	0.7
449.10950	1.0
449.20331	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	448.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38254	0.8
58.02842	1.6
59.01247	16.9
69.87206	0.8
70.02842	5.4
70.44177	2.4
71.01254	2.4
71.40662	0.7
72.04413	3.1
73.02819	1.2
74.02342	100.0
75.02667	1.1
82.13161	0.7
89.02290	1.0
93.03346	2.1
96.95885	1.6
98.02358	10.2
101.02324	1.3
113.02338	1.5
116.03416	61.9
117.03756	1.5
129.09129	0.9
141.46945	0.7
141.51396	0.7
142.33800	0.7
151.11165	1.1
169.12268	4.1
173.04527	1.3
203.95366	0.8
211.13377	1.9
212.13609	2.2
243.26288	0.8
248.22279	0.8
255.19771	0.8
257.21173	1.2
287.22351	2.5
299.22260	1.6
324.25409	1.6
326.23413	2.2
360.27689	1.1
362.25458	22.4
363.25616	2.4
368.24292	1.7
404.26505	28.8
405.26782	3.2
410.24902	0.8
449.14807	1.3
449.24545	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	448.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51606	0.7
58.02841	1.5
59.01250	13.2
69.30123	6.2
70.02848	4.3
71.01250	2.2
71.08904	0.8
72.04422	2.6
74.02344	100.0
75.02666	1.2
77.80680	0.7
85.02816	1.1
87.00768	0.7
93.03344	1.7
96.95892	2.5
98.02354	12.3
98.19842	1.3
101.02335	1.7
111.04446	0.9
116.03419	59.9
116.92725	0.7
117.03776	1.6
142.25920	0.6
161.04559	0.7
169.12207	3.4
173.04515	0.9
191.05496	0.7
203.57588	0.7
211.13475	0.7
213.11259	0.7
242.77748	0.7
257.21155	0.9
287.22247	2.1
299.22409	1.4
324.25403	1.7
326.23474	1.4
360.27634	1.0
362.25446	20.0
363.25992	2.3
368.24390	2.5
404.26514	27.5
405.26794	3.5
449.23938	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	447.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62219	0.4
59.01249	6.7
67.08801	0.4
71.01232	1.3
78.95761	3.4
89.02305	1.1
96.62342	0.4
99.41499	0.4
101.02317	1.3
105.03333	0.4
107.04915	0.4
113.02408	0.6
117.03349	1.2
123.04426	0.4
132.02110	0.8
133.02853	22.7
134.03668	4.7
135.04417	31.8
136.04770	1.5
137.02353	2.3
139.03897	0.7
151.56317	0.4
152.99492	9.3
161.02353	100.0
162.02696	5.3
178.02652	0.7
179.03409	9.7
225.14967	1.0
229.10327	0.4
236.83821	0.5
267.19717	1.1
285.03989	0.5
285.20694	10.7
286.21014	0.7
387.20041	0.5
424.35928	0.4
429.22879	2.0
447.23862	59.0
448.24161	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44356	0.4
59.01251	12.4
60.01578	1.2
60.10655	0.4
60.44217	0.5
61.01677	0.6
61.98702	100.0
62.55123	0.4
65.08705	0.4
68.16969	0.4
71.01257	2.0
71.49223	0.5
71.49619	0.6
72.99186	0.4
73.02800	0.4
74.10429	0.4
85.02863	0.5
89.02328	0.9
101.02320	1.4
105.90543	0.4
113.02309	1.0
125.02335	2.6
130.08644	0.5
151.00323	0.8
183.56371	0.4
221.17731	0.5
259.06152	1.5
269.04590	2.0
287.05627	0.9
391.55240	0.5
448.22192	0.6
449.10953	0.9
449.20609	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.1
61.98709	0.4
69.03345	0.4
71.01254	7.7
71.49015	0.5
72.99203	0.5
73.02821	2.0
73.03189	0.4
83.01261	0.8
85.02837	2.2
87.00782	0.6
88.98707	0.3
89.02320	6.1
95.01275	0.9
96.95892	0.5
97.02816	0.4
99.00758	0.5
101.02328	5.2
108.02036	3.3
109.02856	4.3
109.85147	0.3
113.02332	3.5
115.05421	3.5
119.03374	2.5
119.04900	0.4
125.02389	0.8
133.02859	1.4
135.04433	1.2
139.03926	0.5
143.03418	0.9
148.03928	2.7
148.04991	0.4
150.03099	0.4
150.05513	6.1
152.01112	1.2
153.01836	7.0
159.03116	0.5
159.04442	3.3
161.02368	3.8
161.04417	3.1
165.01801	0.5
166.48264	0.3
167.12952	0.3
178.25089	0.3
179.03404	0.4
179.05568	1.0
183.10222	0.4
191.05598	0.4
194.04474	3.3
203.03491	0.4
211.13391	3.1
225.14937	0.7
226.08769	0.7
233.04478	3.2
234.04944	0.5
243.15820	0.4
253.09435	0.5
284.03235	2.8
284.68134	0.4
285.04095	3.4
285.07825	1.2
293.06799	0.5
387.20255	7.9
388.20709	1.0
405.21277	0.7
447.09235	8.9
447.22589	3.2
447.62100	2.5
448.09402	0.7
448.22855	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	447.2385
Annotation	Ugaferin
Peak:m/z	Relative Intensity
55.77641	0.3
59.01240	1.7
63.79120	0.2
66.94909	0.2
69.98961	1.0
71.01271	0.4
78.95779	2.2
89.03812	0.3
93.03322	0.3
96.96850	0.4
98.19860	0.3
101.02338	0.3
105.03307	0.3
107.04851	0.5
113.02267	0.3
115.74704	0.2
117.03355	1.3
121.02843	0.6
123.04448	0.3
132.02061	0.6
133.02847	20.0
134.03644	4.9
135.04413	30.4
136.04735	1.1
137.02342	2.6
139.03883	1.1
141.12743	0.4
144.11958	0.2
150.03127	0.3
150.90344	0.2
152.99492	4.5
160.68929	0.3
161.02348	100.0
162.02678	4.0
172.49898	0.3
178.02582	0.5
179.03410	10.9
180.03793	0.5
180.13655	0.2
219.40250	0.2
267.19666	0.9
285.20718	10.4
286.21042	0.9
429.22760	2.5
430.22885	0.5
437.21979	0.3
447.23868	51.9
448.24210	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.3
57.03326	2.2
58.00459	2.0
59.01249	45.0
60.01586	0.5
60.48609	0.2
61.98705	0.2
67.01749	0.2
68.99684	0.5
69.03329	2.0
71.01251	54.9
71.50216	0.3
71.50612	0.2
72.01591	0.7
72.99181	3.5
73.02818	11.8
74.02333	0.4
75.00742	0.9
79.95605	4.3
80.96388	1.7
81.03333	0.8
83.01254	6.7
84.02059	0.4
85.02824	17.0
85.99946	0.3
86.03158	0.3
87.00743	3.6
89.02316	31.8
90.02659	0.4
94.97947	0.4
95.01266	2.5
95.95115	0.7
96.95888	100.0
97.02829	2.3
97.95794	0.3
99.00755	4.7
99.04450	0.2
101.02322	31.9
101.63851	0.2
102.02660	0.8
109.02819	0.3
111.00778	2.6
111.04350	0.3
113.02328	15.0
114.02669	0.4
115.03889	0.9
116.03423	0.3
119.03392	3.4
122.97458	0.5
125.02339	4.4
127.03822	0.2
129.01817	0.7
131.03394	16.7
132.03720	0.3
134.96614	0.2
134.97504	1.6
137.02336	0.3
138.96992	1.0
139.11136	0.3
143.03401	2.8
148.05203	2.1
149.04466	10.1
150.96985	0.4
152.98526	3.2
153.09131	0.2
155.03352	0.3
158.54950	0.2
159.02896	2.4
161.04465	16.7
162.04771	0.5
163.07530	1.2
164.98520	0.7
167.14316	0.3
173.04510	0.4
179.05537	0.7
180.98042	0.9
183.10255	0.3
183.13831	3.4
184.14130	0.2
187.06100	0.2
191.05533	3.5
193.12288	0.7
194.99622	0.9
205.03450	1.1
211.13335	49.7
212.13667	2.9
215.05588	0.6
221.13284	0.2
222.99120	0.9
225.00652	0.2
225.07712	0.3
225.14830	0.4
233.06590	2.1
235.08022	0.3
240.23996	0.2
241.00204	12.9
242.00536	0.7
249.77899	0.2
253.09244	5.9
253.11891	0.3
254.09854	0.3
276.25891	0.2
283.01297	7.5
284.01343	0.3
293.08780	1.0
297.17007	0.2
315.18079	12.3
316.18613	1.0
343.21042	0.3
387.07776	0.2
405.08582	24.5
406.08798	2.8
447.09653	19.8
447.22269	23.4
448.10004	3.0
448.22473	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	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01755	1.4
57.03336	1.9
58.00466	3.7
59.01250	84.4
60.01586	0.9
69.03338	0.9
69.36618	1.1
69.37041	1.6
71.01253	62.5
72.01609	1.1
72.99184	3.6
73.02821	9.6
75.00801	0.4
79.52969	0.3
83.01256	3.9
85.02821	9.7
85.99988	1.0
86.03147	0.5
87.00749	7.5
89.02316	100.0
90.02670	1.2
95.01270	1.3
97.02836	1.1
99.00780	1.0
101.02322	44.3
101.80905	0.3
102.02670	0.8
111.00778	1.5
113.02329	14.0
115.03924	0.5
119.03383	10.3
125.02339	2.2
131.03395	41.9
132.03748	0.9
139.03874	0.4
143.03398	2.0
149.04457	64.6
150.04764	1.6
156.95395	0.4
161.04456	1.1
179.05530	2.3
191.05537	20.8
192.05867	0.9
193.65863	0.4
207.97607	0.3
211.13318	3.8
229.60884	0.4
233.06506	0.6
243.09430	0.4
251.07680	0.7
253.09491	0.6
327.21832	0.5
400.67926	0.4
447.09509	0.5
447.22125	4.7
448.22794	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15673	0.5
56.70401	0.5
59.01251	100.0
60.01584	1.0
69.50906	3.5
71.01257	5.0
73.02827	0.8
85.02835	1.1
89.02319	6.5
98.20580	1.2
101.02324	3.5
102.35365	0.4
113.02334	3.1
118.57973	0.5
119.03413	3.4
143.03383	0.9
161.04483	4.0
179.05618	2.1
189.12790	0.7
207.13992	0.5
340.43399	0.6
387.20215	4.0
447.22238	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
58.00473	0.8
59.01250	100.0
60.01593	1.2
61.98697	0.9
63.02270	0.6
70.78866	0.4
71.01253	13.2
72.99186	1.3
73.02816	1.5
83.01265	1.5
83.04910	1.1
85.02818	3.3
87.00765	1.0
89.02318	11.1
95.01289	1.2
96.95898	0.9
99.00771	0.9
99.04409	1.1
101.02322	9.3
107.01275	0.9
109.06486	0.6
113.02332	5.5
119.03390	6.5
143.03413	0.9
151.00302	2.6
155.10727	0.6
159.02925	0.8
161.04492	4.5
163.11255	1.0
169.01389	0.5
179.05522	3.1
181.09807	0.7
191.05527	0.5
196.14479	0.4
205.12393	0.7
207.10208	6.4
216.90317	0.4
217.10919	0.4
223.13345	2.7
225.14940	1.9
227.03517	0.7
255.03113	0.8
257.04523	0.8
267.12329	6.7
267.16718	0.4
268.12820	0.7
279.10065	0.8
284.03244	6.0
285.04004	6.4
286.04449	0.6
296.12653	0.7
327.05106	0.9
387.20261	26.4
388.20496	3.1
436.14493	0.4
447.09293	4.4
447.18439	9.9
448.09738	0.9
448.19370	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	447.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.7
71.01255	0.4
71.20586	0.4
71.86391	0.2
78.95772	54.9
86.96447	0.2
96.96837	6.6
113.09630	0.3
132.43523	0.2
133.02800	0.6
135.04378	0.5
150.97910	1.8
152.99483	100.0
153.99861	1.5
161.02319	2.3
171.00539	4.1
179.03265	0.3
220.63548	0.3
225.14952	0.3
293.21106	0.5
331.18927	0.6
343.20850	0.2
442.63660	0.3
447.21375	8.9
448.21677	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.3
59.01250	100.0
60.01590	1.2
61.98702	1.2
68.99712	0.3
69.53310	2.3
71.01252	6.8
72.99213	0.5
73.02823	1.0
83.01276	0.6
85.02814	1.5
85.38605	0.3
87.00793	0.4
89.02316	6.7
95.01263	0.4
99.00764	0.5
101.02336	5.1
101.02985	0.2
105.68880	0.3
113.02331	3.3
116.63843	0.3
119.03394	3.5
131.03438	0.4
133.02870	0.3
143.03418	0.9
159.02913	0.5
161.04460	3.6
179.05556	2.2
187.49576	0.3
189.12776	1.6
205.12328	0.4
207.13918	1.0
223.13420	0.8
284.03305	0.5
285.04016	0.4
297.04019	0.7
299.05713	0.4
327.05048	2.1
357.06296	1.2
387.20197	4.5
388.20575	0.6
447.09537	0.8
447.22531	1.2
459.70926	0.3
459.98804	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	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01761	2.1
57.03326	1.3
58.00473	1.1
59.01250	53.8
59.41900	0.3
60.01609	0.7
61.96064	0.3
61.98690	0.3
62.76622	0.3
69.03335	0.8
71.01252	27.0
71.04905	0.4
71.49509	0.5
72.01582	0.5
72.99184	1.4
73.02818	16.3
73.27541	0.3
75.00758	0.7
78.95787	0.5
83.01256	5.5
85.02826	9.9
85.06463	3.7
87.00745	3.3
89.02315	8.7
94.56158	0.3
95.01248	2.1
96.95879	0.5
97.02837	0.9
97.06458	0.8
99.00764	5.1
100.98118	0.3
101.02321	21.3
102.02676	0.3
103.04008	0.3
103.75943	0.3
113.02330	9.6
113.09598	0.7
119.03371	3.6
123.04437	0.4
125.02335	0.8
131.03409	0.8
143.03391	1.2
149.04469	0.9
153.12689	0.9
155.03358	0.5
155.14320	11.4
156.14674	0.7
159.02928	0.4
161.04480	3.5
179.05542	0.7
179.14284	0.5
181.12285	0.7
181.15909	3.9
199.13329	22.8
200.13623	1.2
211.13393	0.3
225.14908	5.9
226.15262	0.5
245.17545	0.4
253.14359	0.6
285.03848	0.4
358.78836	0.3
369.18921	0.7
385.32993	0.3
387.15225	0.7
387.20212	13.0
388.20377	1.5
405.21271	25.7
406.21667	2.4
429.21371	0.4
447.22308	100.0
448.22641	12.5
471.67889	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	447.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87885	0.1
57.93527	0.2
59.01245	1.3
62.96281	0.2
63.83938	0.1
68.50188	0.2
70.97636	0.3
71.01234	0.2
71.26259	0.2
76.83079	0.1
78.95772	50.7
89.02351	0.2
92.48003	0.2
96.96840	6.4
101.02338	0.3
127.18518	0.2
132.75427	0.2
150.97934	1.7
152.99483	100.0
153.99823	1.4
171.00562	4.7
225.14857	0.2
235.83388	0.2
261.15790	0.2
285.04007	0.2
293.21201	0.5
333.16177	0.2
378.14661	0.2
406.55148	0.2
447.13794	0.5
447.21494	10.3
448.21826	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	447.1297
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.97633	0.3
59.00960	0.5
59.01250	9.1
60.20400	0.3
64.62676	0.3
69.29142	2.3
71.01242	1.0
73.02814	0.4
78.95756	0.7
80.02542	0.6
85.02811	0.6
89.02319	0.8
91.01771	14.3
92.02087	0.6
95.01252	0.8
95.86932	0.2
96.95890	0.7
101.02316	1.2
107.04902	0.6
108.02049	19.1
109.02845	4.1
113.02355	0.5
121.02880	1.3
123.00764	5.7
124.01566	0.6
135.00775	14.2
136.01173	0.3
137.02330	3.3
139.83788	0.3
149.02356	0.4
152.01059	17.1
152.99483	0.6
153.01485	0.8
155.03435	0.4
161.04468	0.4
197.06052	1.2
199.07571	0.4
202.06459	0.3
207.13945	0.3
211.13156	0.3
213.05481	1.3
215.07088	0.6
225.05473	0.3
225.07584	0.3
225.14906	0.4
243.06590	100.0
244.06912	8.5
284.03296	0.4
285.03973	0.5
348.31213	0.3
387.10864	1.1
387.19913	0.4
447.13272	2.8
447.26062	1.9
448.13510	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	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.9
62.96275	1.5
71.01263	0.5
71.01682	0.2
71.29947	0.4
78.95776	42.1
84.74456	0.2
96.96832	2.7
112.26997	0.2
115.91925	0.2
121.02838	0.2
147.71088	0.2
148.99998	19.2
150.97943	0.3
152.99481	6.7
158.92448	1.8
169.64766	0.2
174.09520	0.2
179.01082	2.6
205.15974	1.5
267.11481	0.3
284.03372	0.3
285.04074	0.5
347.08243	0.5
417.12500	1.1
431.10345	2.3
432.10696	0.3
447.13425	100.0
448.13770	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	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23182	0.2
58.62111	0.2
59.01240	0.6
62.72137	0.2
62.96276	1.2
69.77388	1.2
78.95775	42.6
96.96831	2.6
100.86580	0.2
101.21959	0.2
105.99332	0.2
113.77636	0.2
140.28365	0.2
149.00003	20.4
150.00368	0.4
151.01550	0.3
152.99478	2.2
158.92465	1.5
179.01083	2.5
182.68079	0.2
205.15918	1.4
267.11563	0.3
278.41736	0.2
299.95111	0.2
333.07120	0.2
347.08160	0.5
417.12604	1.0
431.10269	3.2
432.10867	0.4
447.13400	100.0
448.13766	11.3
464.10077	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	447.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26373	0.9
50.42059	0.9
55.01746	2.1
57.03318	7.3
58.00451	3.6
59.01251	100.0
60.01572	1.4
65.11201	0.9
68.82765	1.0
69.03304	1.3
71.01252	36.3
71.04893	34.4
71.28901	1.1
71.29249	1.5
71.91534	1.0
72.99172	3.9
73.02800	2.1
74.05673	1.0
83.01242	3.1
83.04877	3.5
85.02831	8.0
87.00755	3.1
87.16405	1.1
89.02320	39.5
95.01253	3.5
97.06456	3.7
99.04384	1.8
101.01715	1.5
101.02322	19.8
101.09528	1.0
109.06467	2.4
111.04374	1.0
111.08050	6.7
113.02322	13.5
119.03394	13.9
121.02737	1.1
125.02232	1.1
130.08617	1.4
131.03354	1.1
135.04480	1.1
135.71184	1.0
143.03314	1.2
147.37886	1.1
149.04425	1.4
151.11163	2.2
160.01588	1.2
161.04427	4.1
163.11203	2.2
175.03870	2.4
179.05481	3.9
179.14331	36.5
180.14622	2.8
182.10089	1.0
203.03415	1.4
205.12326	1.6
207.10190	2.5
220.85777	1.0
223.13344	59.0
224.13589	4.3
225.14877	1.6
241.14284	1.1
249.11255	1.6
267.12363	90.8
268.12659	7.5
285.13281	3.7
350.10751	1.0
387.20102	4.5
408.40732	1.3
447.18542	42.3
447.29517	5.5
448.18835	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.5
58.00475	0.4
59.00956	0.6
59.01249	11.0
60.01572	0.4
61.98707	0.6
62.81058	0.3
67.53998	0.3
69.03320	0.5
71.01252	10.7
71.49511	0.4
72.99187	2.0
73.02806	1.3
73.05642	0.3
83.01275	0.4
83.04881	0.6
85.02819	1.4
87.00784	0.5
89.02323	3.4
94.90550	0.3
96.95882	0.6
99.00774	0.4
99.08057	0.5
101.02306	3.7
113.02344	2.1
115.00277	1.7
119.03390	1.6
121.02832	2.9
133.01357	0.4
133.05002	0.4
143.03349	0.4
161.04428	2.0
165.12769	0.4
171.10181	0.9
179.05600	0.6
181.06589	0.3
183.13844	0.6
209.11761	100.0
210.12086	6.8
211.13327	4.6
229.14394	2.5
235.08217	1.4
253.09251	11.7
254.09615	0.9
282.94888	0.3
329.23288	18.8
330.23569	1.3
331.42090	0.3
357.09689	0.6
360.72772	0.4
427.23029	0.6
427.57065	0.4
445.11203	0.7
445.24066	1.9
458.73874	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39570	0.4
57.03321	0.4
59.01249	25.7
61.32313	0.4
67.73721	0.4
68.99711	0.4
69.03316	1.6
70.29148	1.7
70.42795	0.4
71.01251	4.3
72.99196	0.5
73.02818	1.7
81.03339	2.3
85.02811	4.3
89.02316	3.2
90.75723	0.4
93.03348	0.4
95.01254	3.6
97.02812	0.9
99.00756	0.5
101.02328	2.4
107.01257	0.8
108.02049	35.2
109.02836	46.8
110.03197	1.0
113.02350	2.3
113.20871	0.4
117.03317	0.6
119.03399	1.9
123.00772	3.0
125.02331	1.4
128.03360	0.5
130.08705	0.5
132.02199	0.5
133.02841	11.7
134.03574	0.7
135.00775	1.4
135.04414	8.9
136.04758	0.7
137.66299	0.4
151.00218	0.5
151.99214	0.5
152.01059	21.5
153.01834	90.7
154.02161	3.0
161.02344	45.1
161.04504	1.1
162.02673	1.8
175.03923	1.9
179.03418	7.0
179.05049	0.6
191.10696	0.8
203.03456	3.5
209.47180	0.4
211.13329	2.4
223.13223	0.5
227.03427	11.3
228.03893	0.6
235.09691	0.7
246.49095	0.5
255.02966	14.1
256.03558	1.9
267.12344	0.9
272.28802	0.4
284.03262	13.1
285.03473	2.9
285.06250	2.0
293.06665	3.5
299.99106	0.9
302.76642	0.5
387.20465	2.5
400.07230	0.4
403.10278	1.9
429.08337	0.7
447.09277	100.0
448.09564	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	447.0932
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.54033	0.3
54.62836	0.4
58.82982	0.4
59.01259	3.4
63.02290	0.4
63.80641	0.3
64.80502	0.3
70.14459	0.7
93.03353	0.5
107.01277	0.9
108.02074	0.7
109.02840	0.9
125.02312	0.6
133.02803	0.5
135.00772	0.6
145.02893	0.4
151.00273	2.6
153.01857	1.7
158.03583	0.3
161.02357	0.5
163.00314	0.6
171.04425	0.4
174.03189	0.5
178.99698	0.9
182.03706	0.5
183.04393	1.4
185.06009	0.5
187.03917	0.8
210.12090	0.4
211.03937	1.7
211.13382	0.6
213.05418	0.5
227.03452	74.4
228.03799	6.7
229.05000	2.1
233.14845	0.3
239.03505	0.6
241.05321	0.4
255.02972	100.0
256.03525	14.4
257.04373	2.0
268.76434	0.3
283.02454	0.8
284.03265	80.8
285.03973	34.1
286.04358	2.9
327.05038	1.2
447.09302	99.1
448.09665	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	445.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60297	0.4
55.01756	0.5
56.27796	0.4
57.03316	1.0
58.00460	0.8
59.01249	100.0
60.01593	0.8
67.38765	0.5
69.03336	0.7
69.56123	3.5
71.01254	22.1
72.99182	2.1
73.02830	2.0
73.87102	0.5
75.00760	1.1
75.66833	0.5
83.01250	1.0
85.02821	4.1
87.00771	1.5
89.02316	28.8
89.05022	0.4
94.93852	0.4
95.01272	1.7
97.02814	0.6
99.00774	1.5
101.02322	12.1
113.02331	8.9
119.03372	10.7
120.89737	0.5
130.08546	0.6
131.03412	1.4
138.32175	0.5
143.03435	2.0
153.09140	3.5
161.04463	3.2
164.14055	0.5
179.05533	8.4
205.12267	3.4
223.13400	0.6
385.13934	0.7
385.18643	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	0.7
59.01249	100.0
60.01594	2.2
71.00855	0.9
71.01250	17.3
72.99185	1.4
73.02812	0.6
83.01284	0.9
83.04901	1.6
85.02813	1.9
87.00773	1.0
89.02315	29.3
92.13999	0.7
101.02319	8.8
101.52120	0.5
106.85179	0.5
107.03390	0.7
113.02331	7.4
114.02766	0.5
119.03395	9.5
131.03429	1.8
143.03365	3.6
149.04489	1.8
161.04449	4.9
162.06245	0.6
179.05533	20.7
185.18591	0.5
205.12425	0.8
318.84109	0.5
363.88821	0.5
457.71960	0.6
460.75983	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01038	0.4
55.01775	0.4
57.03328	0.5
58.00481	0.6
59.01250	100.0
60.01590	1.2
61.98706	0.7
69.03333	1.8
69.66092	2.7
71.01253	11.4
72.99185	1.1
73.02822	2.1
80.02557	0.5
83.01268	1.0
83.04895	1.1
85.02833	2.5
87.00757	1.0
89.02316	11.6
89.02843	0.9
93.03300	0.8
95.01279	0.6
96.95898	0.4
97.02847	1.4
99.00755	1.1
101.02316	9.0
109.02815	0.7
113.02328	5.2
119.03397	5.9
125.02385	0.7
129.01859	0.7
130.08669	1.4
131.03448	0.5
141.01897	0.5
143.03419	1.4
149.04420	0.5
151.00351	0.7
153.01866	3.5
161.04453	2.7
163.11261	1.1
165.12828	0.9
177.01895	0.6
179.05606	2.1
185.00826	1.2
187.11238	1.7
191.10638	0.5
195.02957	0.6
199.13394	1.9
204.11514	0.5
205.12315	2.2
209.11771	42.2
210.12140	2.9
223.13432	1.8
233.11827	1.3
253.09286	5.3
259.15634	0.7
269.04483	2.6
283.02582	1.7
385.18655	2.1
403.19714	0.6
445.20526	4.5
445.26373	0.7
446.21399	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06910	0.8
53.13459	0.6
53.13782	0.6
53.90361	0.6
54.79687	0.6
58.50936	0.6
59.01248	100.0
60.01580	1.3
65.29089	0.6
71.01253	6.4
73.02838	3.7
78.95774	0.6
82.50402	0.5
83.01247	1.4
85.02858	1.6
89.02329	2.2
101.02327	4.8
108.09992	0.6
113.02335	2.2
119.03383	1.1
161.04462	1.1
171.10249	0.6
199.26601	0.6
224.16371	0.6
225.19092	0.7
280.40204	0.7
327.21970	1.8
335.26324	0.7
401.21756	0.9
443.22870	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	1.1
71.01251	6.0
71.49404	0.6
71.49847	0.6
71.73920	0.5
72.99182	1.0
73.02811	1.0
75.00756	0.7
83.01257	0.9
85.02829	2.5
89.02325	1.0
95.01268	0.8
96.95908	0.6
96.96809	0.6
97.05317	0.5
101.02355	1.6
113.02355	3.0
119.34663	0.5
124.35177	0.6
133.01306	0.9
152.07101	0.8
161.04462	1.1
171.10231	1.3
209.62981	0.6
211.13542	0.6
283.06479	0.8
299.25964	0.7
304.71545	0.5
327.21695	1.9
329.23389	0.8
349.12115	0.5
353.19095	3.5
371.20038	3.3
443.18985	3.6
443.25876	1.0
443.31174	0.9
444.18826	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	445.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.7
64.24518	0.2
70.14418	0.2
70.89317	0.4
70.89655	0.3
71.01257	0.5
77.75986	0.2
89.02318	0.3
89.93652	0.2
90.83508	0.2
115.12460	0.2
127.55694	0.3
169.06429	0.3
181.52412	0.3
197.05978	2.1
198.06657	0.3
214.93492	0.3
225.05505	5.9
226.06297	100.0
227.06628	7.5
240.07869	0.8
241.08653	88.0
242.08980	7.2
242.11491	0.4
294.73859	0.3
385.12860	1.0
421.98297	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	445.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46787	0.5
59.01250	100.0
60.01571	0.7
61.94129	0.5
61.98709	2.0
64.58009	0.5
66.10349	0.5
69.80054	3.0
71.01257	1.1
76.48315	0.5
78.95405	0.6
78.95770	3.7
89.02316	0.6
98.20458	0.8
110.70741	0.5
113.02300	0.5
117.48809	0.5
121.02831	1.1
138.20039	0.5
148.99982	7.0
150.82277	0.5
152.99599	0.5
205.15913	5.7
308.85941	0.5
308.96036	0.5
314.72644	0.6
322.25833	0.6
355.16785	21.3
356.17181	2.4
385.17883	10.6
386.18332	1.2
445.19797	3.2
445.35977	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.7
59.01250	100.0
60.01571	0.9
61.98712	0.6
69.03313	0.9
70.25331	2.0
71.01250	17.4
71.01619	1.1
72.99190	1.4
73.02825	1.4
73.44463	0.7
74.02365	0.8
81.03343	0.6
83.01288	1.1
83.04915	1.8
84.48245	0.6
85.02819	4.1
85.44729	0.6
87.00767	1.8
88.83737	0.6
89.02316	26.8
95.01262	1.1
96.95904	0.9
101.02316	10.6
113.02349	7.4
113.03133	0.7
113.03416	0.5
119.03393	10.4
120.01155	0.7
125.02348	1.0
126.03152	0.9
130.08670	1.3
130.97943	0.7
131.03424	1.8
143.03412	3.6
149.04465	0.8
161.04494	3.1
177.12833	0.8
179.05522	14.6
179.06995	1.1
179.10851	0.6
193.18114	0.6
202.11081	0.6
205.12294	1.3
209.11768	2.5
221.11810	1.5
262.77454	0.5
265.10876	0.7
385.19330	0.6
403.19745	1.5
410.19586	1.2
445.16730	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01580	1.0
61.98705	0.7
69.03319	0.4
71.01251	7.2
73.02814	5.8
77.32413	0.4
78.95790	0.6
79.06758	0.4
79.13969	0.4
83.01261	1.8
85.02850	1.9
85.20966	0.4
89.02314	3.0
96.95895	1.0
98.20662	0.8
101.02322	5.1
101.05981	0.8
113.02328	3.1
119.03415	1.2
145.06012	0.5
155.36839	0.4
161.04523	1.3
162.61299	0.4
179.05582	0.5
204.93210	0.4
219.13802	1.0
245.25015	0.4
254.32716	0.4
261.27466	0.4
289.85236	0.5
346.18100	0.5
379.59088	0.4
382.14099	0.7
441.21420	1.3
442.26416	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.90346	0.2
55.01760	1.4
57.03325	3.1
58.00470	1.2
59.01251	57.6
60.01578	0.5
69.03333	0.9
70.89352	0.6
70.89740	0.4
71.01254	23.4
72.01582	0.3
72.99191	1.3
73.02818	12.5
74.03144	0.3
75.00764	0.3
81.03325	0.3
83.01259	5.0
85.02829	9.5
85.99989	0.5
87.00745	1.2
89.02316	6.0
95.01263	1.5
96.00838	0.3
96.95895	0.8
97.02850	0.6
97.66073	0.2
99.00774	2.5
99.04390	0.3
101.02324	17.6
102.02659	0.6
111.00780	0.6
113.01540	0.4
113.02330	7.9
115.00236	0.3
119.03375	2.5
123.08050	3.3
125.02384	0.3
128.03406	0.3
129.01826	0.3
129.10234	0.3
130.08640	1.0
131.03351	0.3
143.03404	0.8
145.02861	0.4
149.04454	0.3
151.11153	0.5
159.02913	0.7
161.02368	0.4
161.04451	3.5
161.09616	0.8
165.05414	0.3
175.03969	0.3
175.11165	0.5
177.12759	5.0
178.13077	0.4
179.05562	0.5
183.98853	0.2
191.05617	0.5
195.13837	2.7
209.82048	0.2
221.11748	3.8
222.12115	0.3
239.12807	0.3
339.18253	0.3
357.19275	2.0
358.19504	0.3
383.17435	0.4
399.26169	0.7
401.18182	2.0
443.19202	100.0
444.19522	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	443.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.5
57.03309	2.1
59.01249	7.3
61.89582	0.6
61.98685	1.8
64.80855	0.5
69.03317	1.9
71.01252	24.2
71.49711	1.1
72.01564	0.7
72.99178	6.0
73.02821	1.0
78.95776	1.0
83.01230	0.8
83.04913	0.6
85.02821	10.4
87.00745	1.1
89.02311	1.7
94.32854	0.5
96.95892	1.6
96.99244	0.6
97.02833	1.5
97.06444	1.9
101.02298	1.6
113.02323	1.3
115.00250	8.5
115.07509	1.5
119.08560	0.8
125.09603	0.7
127.05018	1.6
127.11170	1.1
128.03419	0.8
133.01294	2.8
137.09584	2.4
143.03171	0.5
143.99072	0.5
145.06079	1.8
148.67145	0.5
171.10185	27.5
172.10526	0.9
177.12708	0.8
183.13864	2.1
190.57419	0.6
193.12163	0.6
201.11226	1.4
209.11708	0.6
211.13345	7.8
212.13635	0.6
221.11800	1.2
221.15468	0.6
229.14426	6.5
239.12907	1.2
239.16574	1.1
242.70105	0.6
243.43536	0.5
291.19659	1.6
305.02747	0.5
309.20685	1.0
327.21741	100.0
328.22113	10.5
341.10950	0.7
394.09952	0.6
399.21228	1.2
401.21732	2.4
425.21796	2.3
443.22952	8.5
444.23297	1.1
460.31335	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69261	0.4
59.01250	100.0
60.01588	1.5
61.98707	1.8
69.31952	2.9
69.32362	0.6
71.01252	5.1
72.99199	0.7
73.02832	1.5
78.33820	0.4
83.01276	0.6
85.02824	1.8
89.01752	0.4
89.02309	2.1
96.95907	0.6
99.00725	0.4
101.02332	3.1
113.02324	2.6
119.03401	1.3
122.71099	0.4
143.03438	0.5
152.07083	0.8
161.04448	1.0
174.80388	0.4
202.88727	0.5
307.19254	0.5
325.20227	0.9
399.24060	0.6
442.25986	1.9
451.14575	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	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01754	0.5
57.03319	0.6
59.01250	100.0
60.01592	1.3
69.03319	0.5
69.78448	1.4
71.01254	11.3
72.67475	0.3
72.99197	0.3
73.02812	2.5
74.03183	0.3
75.00750	0.5
83.01263	2.0
85.02824	4.5
87.00754	0.5
89.02300	2.2
95.01316	0.8
97.12224	0.3
99.00760	1.7
101.02322	5.6
106.27226	0.3
113.02338	4.9
119.03419	0.6
121.02798	0.4
122.03631	0.4
143.03398	0.4
152.07089	3.4
154.37888	0.3
159.02962	0.8
161.04477	3.8
195.13918	0.5
195.33078	0.3
205.45424	0.3
209.11777	2.4
237.18529	1.8
381.22922	3.4
382.23483	0.6
399.23865	4.8
400.24042	0.7
441.28827	4.9
449.49341	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	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.94934	0.2
59.01250	100.0
60.01594	1.1
61.98701	0.5
69.24538	2.0
71.01254	3.6
72.75350	0.2
73.02820	0.9
83.01301	0.3
85.02827	1.6
88.17831	0.2
89.02329	1.2
95.01279	0.5
96.95907	0.2
98.19814	0.3
99.00751	0.4
101.02335	2.0
102.40152	0.2
113.02318	1.9
119.03423	0.6
144.39627	0.2
145.69624	0.2
161.04468	1.0
179.05469	0.2
216.55635	0.2
261.72745	0.2
399.23801	0.3
427.31909	0.2
441.25128	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	441.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.8
57.03313	3.4
57.56392	1.3
58.00468	4.1
59.01250	100.0
61.98693	1.8
69.03337	1.3
71.01250	77.1
71.48669	1.3
71.49163	1.8
71.71564	1.2
72.77853	1.3
72.99188	7.2
73.02808	5.2
83.01259	5.8
85.02814	20.4
87.00758	3.6
89.02315	72.6
93.03323	1.5
95.01263	5.2
96.95875	7.2
97.02833	2.2
101.02322	48.7
107.04890	2.0
109.02831	10.0
113.02318	27.4
114.67641	1.4
118.13920	1.4
119.03387	35.4
121.06444	2.4
122.03613	2.3
124.05191	2.3
125.02319	1.7
130.08607	2.3
131.03374	2.0
132.02063	1.6
133.02818	3.7
133.06468	15.1
134.02541	1.4
134.03627	5.9
135.04422	9.8
137.05988	2.5
139.07542	20.3
143.03387	4.6
149.04549	1.9
149.05992	4.8
160.01569	8.5
161.02361	21.3
161.04459	11.1
169.08635	2.7
175.03935	16.9
177.05373	2.2
179.03421	13.0
179.05533	7.2
187.11234	2.0
191.05563	1.9
193.05029	4.9
194.75670	1.5
202.09988	1.8
204.11519	1.7
205.12289	3.9
212.09044	1.6
217.12346	5.0
221.04468	2.4
235.13387	4.1
237.03384	1.8
251.05623	2.3
261.11224	2.2
281.06638	3.7
282.14212	1.4
323.07648	16.4
330.13120	31.0
331.13901	16.3
341.09009	1.6
397.18643	6.1
441.17703	84.5
442.18060	10.7
451.11322	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	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.3
56.47230	1.6
58.21255	1.4
59.01247	37.4
70.78065	5.0
71.01250	29.6
72.99152	2.6
73.02821	9.3
83.01251	4.2
85.02826	13.3
87.00733	2.9
89.02312	11.9
96.95889	3.1
99.00753	5.4
101.02317	28.4
111.00764	3.0
113.02341	7.8
119.03347	1.8
119.13798	1.5
121.02939	1.5
125.02392	1.7
128.03409	2.0
128.05365	1.4
129.10242	2.6
130.08603	2.1
131.03404	8.9
149.04466	1.8
161.02315	2.0
161.04477	6.7
175.11113	1.7
191.05525	2.3
219.10272	2.5
249.13377	28.9
250.13744	1.7
381.17621	100.0
382.17841	10.0
397.24374	2.6
407.12817	1.6
441.18259	1.6
442.26547	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	64.2
59.95523	2.5
60.99171	6.6
69.03328	3.0
69.16556	28.8
69.21650	2.3
70.49319	2.4
71.01255	64.7
72.99177	17.0
73.02843	4.1
78.32938	2.3
83.04920	3.6
84.02049	4.7
85.02846	4.1
88.98676	90.3
89.02298	6.9
99.08047	3.2
101.02312	4.0
111.08054	2.6
115.00253	24.8
123.08014	3.5
125.09621	7.5
127.07582	7.0
133.01318	20.6
135.08035	2.8
137.02425	2.8
139.07614	3.3
139.11084	2.9
152.07088	8.8
153.09093	17.1
155.10773	3.8
161.04466	3.9
163.11221	2.9
165.12755	11.7
171.10170	36.7
185.11769	8.8
193.08337	13.5
197.11745	11.0
207.09982	2.6
209.11778	46.1
211.13300	3.1
221.11565	5.8
231.10086	5.9
233.11569	50.0
238.12029	4.4
249.11023	7.7
251.12578	10.5
263.65399	2.8
289.18027	10.8
307.19165	100.0
308.19464	8.7
325.20193	93.1
326.20560	8.4
329.23401	5.4
351.21481	36.1
352.21866	4.4
395.15350	3.0
423.19962	6.2
441.21194	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	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51714	1.1
58.21929	1.0
58.39531	1.0
59.01246	2.3
69.93053	2.1
69.93473	3.7
93.03357	1.8
121.02847	3.0
122.03613	4.8
137.02374	3.0
149.02348	16.1
150.03134	36.3
151.03644	1.8
164.04703	4.3
165.01845	15.8
165.05478	48.5
166.05833	3.1
167.03392	1.4
180.04201	18.3
181.04829	1.3
186.51964	1.2
195.06546	100.0
196.06903	4.2
207.05794	1.0
227.73077	1.2
243.08713	3.0
301.07181	1.6
331.11871	8.9
391.13873	15.6
392.14099	1.9
439.16385	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	439.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42265	2.7
59.01241	3.7
78.03709	3.0
78.91245	2.1
78.95771	6.7
81.95404	2.1
85.02820	5.5
131.03384	3.6
142.16052	2.7
152.99464	2.9
154.99887	5.1
161.04460	17.7
194.43935	2.4
277.21744	100.0
278.22040	8.1
403.95490	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	440.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12396	0.6
59.01251	29.1
60.01585	0.9
61.98703	100.0
69.52637	2.1
69.53060	2.1
71.01247	3.1
73.02819	1.7
78.24692	0.6
83.01231	0.6
85.02834	0.7
101.02345	2.2
113.02353	1.5
131.44798	0.5
251.30016	0.6
291.18201	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	440.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	6.9
70.02824	2.6
71.01257	3.0
71.04888	2.3
71.50172	2.4
74.02346	2.4
78.95765	2.3
82.02831	1.6
84.04417	11.6
88.00340	1.3
96.95883	5.1
97.06470	1.9
98.02355	64.0
99.00794	1.4
101.07108	2.8
108.02070	1.8
109.03952	8.1
109.06477	2.5
111.04407	9.5
114.09171	2.0
115.07516	10.5
125.03474	3.7
127.05025	40.1
128.03439	16.8
128.10675	1.7
130.08658	7.9
133.02893	1.5
145.06088	100.0
146.06419	2.5
146.08116	1.8
152.01048	3.4
152.07048	1.5
156.10229	13.5
158.11789	9.3
159.48947	1.4
160.01556	1.3
161.02357	7.3
162.02690	4.7
162.05591	1.4
185.16737	1.5
209.05615	2.1
217.27367	1.3
227.06732	3.2
249.13809	1.4
255.91624	1.2
294.17203	2.8
342.16797	2.9
411.09125	1.3
422.23160	2.3
440.11389	3.1
440.24023	84.1
441.14346	2.0
441.24295	11.8
441.30734	3.3
457.55884	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	438.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00225	1.5
57.03312	2.9
58.00446	1.3
59.01253	36.4
65.06573	1.3
65.99723	1.4
66.03350	3.6
67.01743	1.8
68.01285	48.4
69.03325	1.4
69.19759	14.1
69.49458	1.3
71.01254	26.0
72.99190	3.3
73.02802	2.1
80.01283	1.7
80.04926	5.1
83.01262	2.9
83.04894	2.2
85.02817	8.3
87.00756	25.9
89.02315	16.5
94.02837	2.1
96.95887	3.0
98.02357	51.3
98.95451	2.4
99.00743	3.0
101.02317	18.9
103.13963	1.5
106.06535	2.2
108.04427	17.3
110.02350	14.5
111.00747	6.8
112.03941	1.3
113.02338	11.0
116.51202	1.2
119.03384	5.9
119.08536	5.6
122.02373	2.1
123.08051	8.4
128.03418	11.4
133.06442	2.1
133.10112	2.6
139.96140	1.4
140.03415	1.7
145.06523	2.0
149.09633	22.3
158.04483	6.2
158.07248	7.1
159.08058	7.9
160.08855	21.9
161.09622	33.6
171.41861	1.5
173.09622	5.5
174.09148	2.9
175.11208	43.4
176.11530	3.1
187.11176	4.8
191.10696	10.9
198.09230	6.4
199.09935	4.2
214.12315	65.7
215.12622	4.6
219.10213	37.5
220.10490	1.9
237.11247	3.8
258.11337	67.0
259.11508	3.8
352.06262	2.2
369.61392	1.5
438.17657	100.0
439.17935	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	439.1069
Annotation	Hallactone B
Peak:m/z	Relative Intensity
52.31198	0.3
59.01259	1.9
61.98695	0.6
69.03320	0.4
71.01244	1.5
71.49434	0.3
73.02800	0.7
79.95607	54.2
80.96407	0.5
85.02802	0.3
89.02316	0.7
92.32779	0.3
95.95106	14.7
96.95888	95.2
101.02320	0.6
108.02048	0.6
110.97473	5.2
114.05463	0.9
121.83704	0.3
122.75114	0.3
135.04448	0.4
137.02345	1.9
141.95676	2.8
144.54695	0.4
149.04538	0.4
149.99759	1.5
160.01558	0.7
160.05247	0.4
161.02374	0.9
161.06027	0.3
163.03848	0.6
164.98521	0.4
175.03911	0.7
175.07532	0.7
177.05489	0.9
177.99301	0.3
178.06250	0.4
181.98834	0.5
235.09904	0.3
257.01190	0.4
259.02802	2.8
269.08365	0.3
273.04276	0.6
307.17767	0.5
314.11380	0.4
315.05280	0.6
329.13907	1.3
421.20026	0.4
424.08185	2.8
430.77567	0.4
439.10641	100.0
440.11008	11.8
440.17117	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	437.2027
Annotation	glas#1
Peak:m/z	Relative Intensity
57.03314	3.5
58.00463	1.8
59.01250	88.6
60.01566	1.7
60.91757	0.8
64.95708	0.9
69.03316	1.0
71.01257	26.0
72.99167	3.8
73.02818	1.2
83.01276	1.3
85.02827	5.5
87.00734	1.6
89.02314	20.5
91.10616	0.8
95.01257	2.8
98.20575	2.0
101.02331	12.9
102.02678	0.8
111.00759	2.3
113.02338	8.6
119.03382	7.5
143.03423	1.3
153.12761	20.9
154.13132	1.3
161.02415	0.8
161.04581	1.0
165.05528	1.0
175.03918	1.3
177.12715	1.3
179.05577	1.3
195.13831	12.1
196.14191	0.9
197.11768	30.4
198.12135	2.1
201.11243	1.5
213.14903	14.5
214.15335	1.0
215.12791	1.3
229.21988	1.3
239.12811	2.0
250.79567	0.9
257.13931	84.4
258.14322	6.5
275.15076	2.5
310.36346	1.1
358.87653	1.0
377.18311	1.0
437.20270	100.0
438.20755	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	437.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03305	0.5
59.01250	100.0
60.01582	1.4
61.98716	0.4
67.00558	0.3
71.01256	5.4
71.50450	0.9
73.02817	2.3
79.95625	1.0
80.96403	0.8
83.01276	1.0
85.02815	3.3
89.02321	1.2
94.09920	0.4
95.01289	0.6
96.95889	4.0
99.00761	0.7
101.02316	4.4
111.00737	0.5
113.02345	2.4
120.08178	0.4
128.03448	0.4
128.86349	0.4
130.64854	0.4
130.75467	0.4
135.04466	0.4
143.03381	0.6
159.02950	0.4
161.04526	1.1
173.15430	0.6
212.67659	0.5
215.10840	0.5
238.43144	0.4
272.84396	0.4
291.18149	0.9
317.19766	1.3
335.20728	10.3
335.24585	0.6
336.21130	1.1
340.07919	0.4
377.21802	1.6
395.13867	0.4
421.71356	0.4
437.15039	1.7
437.23904	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	435.9576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97540	0.5
57.03318	5.8
61.67992	0.6
67.01762	4.0
67.02062	0.6
69.80215	1.9
69.80620	1.3
71.01259	1.0
74.95303	0.6
77.63146	0.6
85.02817	3.8
87.00734	0.9
87.92403	14.8
87.98879	0.6
103.91908	24.1
104.92689	13.9
105.93475	3.8
106.94244	1.4
111.00761	100.0
112.01105	1.1
114.94804	0.8
118.44897	0.6
123.94538	3.4
129.01869	1.0
144.95845	8.6
145.96608	7.4
147.94481	0.8
154.99759	1.6
155.01486	0.6
156.95840	10.8
158.93747	1.0
161.96123	13.5
163.97667	1.1
167.98709	1.4
172.92720	0.9
173.00789	4.4
173.92513	1.0
173.96109	1.5
181.85175	0.6
185.99802	2.4
189.95731	2.0
191.01915	1.2
198.96924	0.7
199.94028	9.3
199.97581	0.7
200.94856	12.1
213.99231	2.3
217.95134	2.3
227.21027	0.7
227.94725	1.3
228.94365	3.3
239.97174	0.8
244.93767	0.7
257.98297	25.0
258.98645	1.4
261.94193	1.6
283.96286	13.8
284.96573	1.2
287.95828	0.8
301.97278	3.5
331.94724	2.0
356.06641	0.6
404.04904	0.8
405.04776	2.1
436.07788	17.8
437.07425	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	436.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20236	0.4
56.37127	0.4
57.03302	0.4
59.01250	18.3
60.01591	1.7
61.01669	1.1
61.98702	100.0
69.03338	0.7
69.14220	0.4
70.31266	1.0
70.31632	0.8
71.01254	2.4
73.02818	0.6
78.95752	0.6
79.83099	0.4
83.01234	0.4
85.02867	0.5
89.02325	1.0
96.95882	4.8
98.95486	0.8
101.02332	1.6
104.04955	1.2
107.03702	0.6
108.04434	1.5
112.56972	0.4
113.02363	0.7
122.05994	6.2
123.06348	0.4
132.04451	13.0
132.05438	0.8
133.02721	0.4
133.04785	0.6
134.05981	0.6
135.04427	0.4
148.03989	1.4
149.04442	0.6
150.05518	0.7
152.07072	19.0
153.07440	0.7
160.01552	0.5
161.02397	1.7
161.04474	0.6
175.03947	0.8
176.03485	1.7
188.03561	0.4
208.06273	0.5
211.13425	0.5
241.00267	1.2
269.12955	1.0
273.12460	1.0
297.12402	6.7
305.16370	0.4
313.12012	1.0
341.11389	18.5
342.11655	2.4
350.06363	2.3
351.06082	0.7
373.14005	21.3
374.14313	3.4
392.07458	2.0
436.06638	1.2
437.14886	0.6
437.24426	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	435.2515
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
62.96268	0.3
65.68806	0.2
69.33638	1.8
78.95775	55.4
92.02303	0.2
96.96838	6.1
100.99944	0.2
120.43989	0.2
150.97926	1.9
152.99490	100.0
153.99834	1.5
160.95250	0.2
164.51340	0.2
171.00568	3.8
187.80473	0.2
260.02136	0.2
281.24899	1.0
435.25180	6.1
436.25714	0.6
451.90494	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	433.2356
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.45690	0.2
55.59988	0.2
58.36288	0.2
66.46391	0.2
66.73539	0.3
70.99237	0.6
71.47484	0.2
78.95771	49.8
96.96842	6.1
137.80347	0.2
148.90886	0.2
150.97914	1.4
152.99483	100.0
153.99821	2.1
171.00572	4.5
215.04623	0.2
279.23215	1.2
291.80426	0.3
433.23611	5.6
434.24036	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	435.06
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	17.6
69.11269	0.5
69.55419	1.4
69.55816	3.3
71.01251	3.7
72.99199	0.8
73.02808	1.1
79.95605	5.8
80.96388	2.1
83.01259	1.0
85.02826	1.9
87.00726	0.8
89.02323	1.7
95.01226	0.7
96.95888	89.0
101.02321	4.0
103.00250	8.3
108.02085	1.0
109.02858	1.6
113.02353	1.5
115.91941	0.6
116.92738	2.5
123.00728	0.8
124.01547	1.1
132.02049	1.8
134.03650	1.2
136.47517	0.6
137.02304	1.5
138.97006	0.6
139.03891	2.1
139.64261	0.6
145.02843	3.7
147.04321	0.6
148.03922	2.1
149.04683	0.6
150.05508	3.2
150.96985	1.0
151.00252	4.1
151.03859	0.8
152.01057	1.1
153.01787	1.1
160.01578	7.4
160.03905	0.7
161.02283	2.7
162.03069	0.9
164.98572	3.1
165.01826	3.0
166.02632	9.4
167.03329	0.7
173.02406	1.2
175.02518	1.3
175.03931	11.2
176.04451	1.0
177.01886	0.7
177.05447	0.7
179.03371	1.4
180.04205	1.7
180.98032	2.6
181.04997	11.9
188.04689	1.2
189.05438	0.6
190.06252	0.8
190.50029	0.6
190.76411	0.6
191.07008	0.8
193.04974	2.4
194.04472	1.9
195.06516	3.1
201.57545	0.6
205.08615	1.1
207.06435	0.9
220.69254	0.6
225.07574	1.8
241.00175	4.8
241.04979	0.9
253.04990	0.8
269.04514	1.6
283.04419	0.6
284.06958	1.3
297.04141	3.9
310.38522	0.7
312.06491	3.7
326.10114	0.9
327.08694	11.0
331.04776	1.8
342.11078	8.6
349.05969	100.0
350.06262	7.1
357.13443	31.4
358.13766	1.8
375.14337	6.7
391.07037	43.8
392.07349	3.5
405.15466	1.8
417.05020	2.0
417.15652	1.0
435.05878	22.1
435.22617	3.9
436.06192	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01588	1.0
70.93678	0.6
71.01247	4.0
71.62303	0.3
72.99191	0.4
73.02821	1.2
74.02356	0.6
78.95776	1.7
80.96396	0.2
83.01264	0.5
85.02818	1.6
87.00774	0.4
89.02313	2.3
95.01269	0.3
96.95921	0.5
96.96865	1.1
101.02319	2.8
108.36382	0.2
113.02331	1.6
114.84856	0.2
114.93318	0.4
115.08741	0.3
119.02677	0.2
119.03358	1.1
123.04414	0.6
129.10289	0.3
133.02936	0.4
152.99490	1.2
153.05518	0.3
161.02347	0.6
161.04443	1.2
179.05577	0.5
211.13492	0.5
249.13464	0.3
253.14484	0.5
373.18527	0.7
391.19730	0.4
433.20090	4.1
434.20804	0.5
457.82721	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37848	0.2
53.44745	0.2
56.87115	0.2
59.01251	100.0
60.01590	1.3
61.98677	0.3
71.01252	2.3
71.49415	0.3
72.99183	0.3
73.02836	0.7
74.02351	0.4
78.95775	0.6
83.01270	0.3
85.02827	1.2
89.02322	1.6
96.95898	0.2
96.96806	0.9
101.02316	2.2
113.02332	0.9
115.08664	0.2
119.03423	0.7
123.04434	0.3
149.04549	0.3
153.05547	0.3
161.04492	0.6
164.07121	0.3
214.12836	0.2
238.88220	0.2
294.37317	0.2
299.98962	0.2
331.17630	0.3
340.92371	0.2
373.18741	0.4
419.87183	0.2
433.04434	0.2
433.11414	0.2
433.20795	2.1
433.24988	1.8
434.20996	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01592	0.9
70.97958	0.6
70.98303	0.6
71.01241	2.2
73.02839	0.8
80.05398	0.3
83.09489	0.3
85.02843	0.6
89.02313	2.0
99.00735	0.3
101.02342	1.1
107.01244	0.3
113.02332	1.3
119.03405	0.6
124.93739	0.3
143.03398	0.5
151.00278	1.4
157.54555	0.4
163.00262	0.5
175.04176	0.4
178.99864	0.8
179.05586	0.4
243.03056	0.7
255.02980	3.0
269.14023	1.3
271.02438	4.3
272.02951	0.8
300.02740	8.4
301.03497	8.0
302.04129	0.5
373.18546	0.4
386.60272	0.3
433.07599	4.0
433.15869	0.4
433.20303	1.5
434.08490	0.5
457.88257	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	433.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01580	1.0
60.28380	0.7
71.01250	3.1
71.04881	0.8
71.49545	1.0
71.49931	0.8
73.02814	1.6
75.00740	4.6
78.95795	1.1
83.01259	1.0
85.02808	1.2
89.02316	0.8
90.30310	0.7
96.95886	1.2
101.02338	2.3
101.19712	0.8
106.96422	0.8
113.02317	1.1
161.04506	1.4
229.18181	0.8
239.81055	0.7
299.99142	3.9
301.00012	3.8
301.03296	1.1
331.17627	1.3
373.22507	1.0
391.23492	1.6
433.04199	2.7
433.24060	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.5
59.01250	100.0
60.01568	0.9
62.71432	0.4
70.98083	0.4
70.98399	0.6
71.01253	4.2
73.02830	3.3
83.01276	1.2
85.02857	0.9
87.00764	0.3
89.02322	1.9
101.02325	5.6
107.69073	0.3
113.02337	1.8
119.03426	0.4
124.06174	0.4
143.03413	0.6
151.00339	0.6
161.04457	2.7
169.12274	0.6
203.05637	0.4
208.60042	0.4
231.73933	0.5
271.06088	1.0
292.48047	0.4
313.16553	3.5
331.17657	7.3
331.21405	0.6
332.17590	0.5
373.18689	7.1
374.19089	0.5
440.68994	0.4
451.56445	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.5
59.01249	100.0
60.01584	0.8
69.34688	3.1
71.01248	6.2
73.02818	6.9
83.01260	2.3
85.02844	1.3
87.00752	0.5
89.02322	2.2
95.01286	0.6
97.02863	0.4
99.00721	0.5
101.02321	8.3
113.02327	3.5
114.38557	0.4
119.03405	1.3
125.02361	1.3
128.76607	0.4
131.03395	0.5
143.03438	0.8
149.04488	0.9
152.99527	0.8
161.04469	3.4
175.02403	0.5
197.11884	0.5
223.05627	0.4
238.05630	0.4
313.16629	1.7
331.17627	4.8
335.41684	0.4
342.54648	0.4
348.69547	0.4
373.18652	4.4
374.19116	0.5
433.11340	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	433.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.7
55.11677	1.0
57.03323	15.6
58.00464	2.9
58.46425	1.1
59.01250	100.0
60.01597	1.6
71.01253	57.2
71.49231	1.7
72.99163	8.4
73.02814	5.3
75.00757	9.2
78.95800	1.7
83.01242	3.9
85.02828	14.4
87.00759	5.7
87.04397	1.2
89.02316	41.2
95.01249	2.6
97.06496	1.5
99.00745	5.5
99.70900	1.3
101.02326	32.5
107.04910	7.7
109.06450	4.0
113.02325	15.7
119.03394	14.6
121.06454	3.3
123.08023	7.1
129.01787	3.2
135.08002	1.4
137.05998	1.4
143.03413	1.4
151.03918	11.7
151.07552	2.5
151.11163	2.8
152.99460	3.1
159.02980	1.2
161.04445	2.2
163.02350	1.7
163.11218	1.3
165.05479	7.7
173.09641	2.2
175.03918	1.5
175.11137	1.9
179.05486	4.0
179.10609	3.3
182.05753	1.4
191.10718	14.1
195.04991	9.8
195.06586	3.0
195.13855	11.5
221.11746	1.5
235.09805	2.3
239.12857	21.8
240.13246	1.6
253.10812	1.2
255.12262	2.6
261.19345	1.4
279.08508	1.6
281.13803	1.7
299.99048	5.3
300.99820	3.5
301.12863	2.6
345.11920	15.0
346.12158	1.4
357.15631	1.5
385.14856	1.7
389.18787	1.3
395.26730	1.3
415.15851	3.6
416.16867	6.3
433.03937	3.8
433.16888	37.7
434.10730	1.2
434.17496	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	433.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30283	0.5
57.03316	0.8
59.01251	12.4
59.82479	0.6
71.01247	3.9
71.21681	0.8
72.99184	1.6
73.02785	0.7
78.95779	1.2
79.16228	0.5
79.95134	0.7
79.95603	13.3
80.96384	22.0
85.02818	9.5
87.00726	0.6
89.02295	0.5
95.95106	1.4
96.95885	100.0
97.02805	1.3
99.00767	1.1
101.02310	1.4
113.02326	3.9
114.90788	0.5
119.04900	0.6
122.15121	0.5
125.02340	2.1
127.11166	1.6
136.95325	0.5
136.99020	0.7
138.62035	0.5
138.96957	0.8
143.03380	2.4
152.99460	2.0
153.52844	0.6
164.98538	30.2
165.98688	0.5
204.98059	15.3
222.99133	25.9
223.06139	1.2
223.99557	1.3
271.06128	2.1
299.99139	0.9
335.11661	2.9
353.12729	88.5
354.13150	7.3
379.15082	0.6
433.08411	44.3
433.24023	4.0
434.08795	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	433.1144
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
59.01251	62.5
60.01577	1.0
61.98717	0.8
62.26461	0.6
63.02259	1.9
65.00191	6.0
69.03329	3.1
71.01247	4.3
71.45583	1.0
72.99171	0.7
73.02822	1.7
73.98847	0.5
78.95754	0.8
83.01264	3.8
85.02831	2.5
87.00747	0.7
89.02306	2.1
93.03337	7.9
95.01232	0.7
96.95885	0.6
97.02812	0.7
99.00765	1.4
100.96889	0.6
101.02321	3.5
107.01266	9.3
112.98717	0.7
113.02328	1.8
114.98486	0.6
115.08480	0.6
119.03505	1.2
119.04917	31.7
120.05259	1.4
121.02856	1.0
123.00736	0.7
123.08038	0.7
125.02336	2.0
130.08630	0.9
141.01842	0.7
145.02840	1.0
149.58954	0.6
151.00272	34.5
152.00664	2.0
152.99492	1.0
161.02409	0.7
164.07066	0.8
165.01839	1.6
169.01299	1.3
173.00899	0.9
175.00253	0.9
175.02539	0.7
177.01820	3.9
179.05582	0.7
181.04948	0.6
185.00806	1.8
185.05963	1.3
185.08095	0.7
187.03886	0.8
191.05486	2.9
191.10754	0.6
193.01259	0.8
197.11801	6.0
206.99561	0.9
211.03955	1.7
227.07083	0.8
229.04993	5.4
255.02919	1.0
259.12497	0.6
268.03729	1.9
269.04413	2.6
270.04666	3.2
271.06110	100.0
272.06476	10.0
274.94440	0.6
295.06082	1.1
300.02725	2.2
301.03381	0.8
313.07104	1.3
373.12787	0.8
373.18616	0.7
387.27411	0.7
418.12604	0.8
433.07162	1.5
433.11093	1.1
433.15375	1.4
433.20572	1.7
433.25150	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73649	0.7
55.01757	1.6
57.03324	1.1
59.01250	46.4
59.96154	0.7
60.01573	1.2
60.06243	0.6
61.98713	1.0
68.99668	1.3
69.03333	1.5
71.01256	21.2
71.49464	0.7
72.99161	2.0
73.02814	5.4
75.00751	0.7
77.84451	0.6
78.95771	1.5
82.96352	0.6
83.01248	4.0
83.33616	0.6
85.02825	7.2
87.00748	4.4
89.02318	2.9
95.01256	1.5
97.02818	1.3
99.00756	2.7
101.02313	8.2
106.08613	0.8
111.00788	1.3
113.02330	4.4
119.03370	1.1
124.01559	1.3
125.02345	2.5
142.02470	0.7
161.04443	1.0
181.15921	1.5
205.42677	0.8
209.15359	1.1
227.16481	22.7
228.16850	1.1
231.95805	0.7
239.16399	1.2
269.17465	0.9
297.16971	0.8
306.73892	0.7
323.71863	0.7
371.20734	18.3
372.21075	2.4
389.21817	45.5
390.22134	4.6
431.22821	100.0
432.23315	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	431.2284
Annotation	Radiosumin
Peak:m/z	Relative Intensity
53.34576	0.5
54.44089	0.5
55.01750	1.6
57.03311	1.8
58.00467	1.1
59.01250	46.8
61.98699	0.5
68.99685	0.5
69.03330	1.1
70.25655	1.0
71.01255	19.9
72.01577	0.8
72.99183	1.7
73.02820	8.7
75.00751	0.5
78.95781	1.0
81.03294	0.5
83.01259	4.4
85.02825	9.4
85.99977	0.7
87.00764	3.5
87.01205	0.5
89.02309	1.9
95.01268	1.3
97.02825	1.5
99.00772	2.6
101.01707	0.8
101.02327	10.5
111.00726	1.0
112.01498	0.7
113.02345	5.1
124.01559	1.3
125.02330	2.1
134.29199	0.6
145.11795	0.6
148.33772	0.6
152.99516	0.7
160.74957	0.5
161.04445	1.0
181.15915	2.5
195.17441	0.6
227.07138	0.9
227.14333	1.0
227.16493	13.1
306.25388	0.5
345.23022	0.9
364.77307	0.5
371.20709	22.5
372.21039	2.3
389.21793	53.6
390.22128	5.8
431.22818	100.0
432.23215	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	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
57.03324	0.8
59.01249	100.0
60.01586	1.1
71.00850	0.7
71.01252	11.2
71.06880	0.3
71.07219	0.6
72.99180	0.4
73.02814	3.4
83.01250	1.4
83.20067	0.3
85.02821	4.2
85.30215	0.3
89.02311	3.0
95.01270	0.9
97.02850	0.4
99.00784	1.2
101.02323	9.2
113.02323	4.5
119.03445	0.8
143.03488	0.8
145.84961	0.3
159.02869	1.4
159.31508	0.3
161.04463	9.5
177.91812	0.3
179.05592	0.3
179.73679	0.3
205.03644	0.3
209.15468	1.0
214.43700	0.3
280.24884	0.3
362.21030	0.3
371.20731	20.8
372.21097	2.5
382.66269	0.3
431.17978	0.6
431.23059	1.0
432.24554	0.3
446.16653	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	431.2284
Annotation	Radiosumin
Peak:m/z	Relative Intensity
50.05149	0.3
55.01756	1.2
56.59870	0.3
57.03326	1.5
58.00472	0.8
59.01250	34.1
60.80901	0.2
65.93501	0.3
68.99699	0.3
69.03336	1.2
69.78370	1.2
71.01253	15.7
71.06583	0.3
72.99182	1.1
73.02814	4.8
75.00745	0.4
81.03332	0.4
81.85040	0.3
82.56738	0.3
82.73635	0.3
83.01250	2.6
84.48841	0.3
85.02821	5.9
85.99954	0.7
87.00738	2.5
89.02333	1.2
95.01263	1.6
97.02837	1.3
99.00744	1.5
101.02319	6.5
101.02938	0.5
111.00778	1.1
112.01552	0.8
113.02313	3.7
124.01528	1.5
125.02354	2.1
143.03421	0.4
171.80678	0.3
181.15907	1.5
209.15356	0.9
227.16475	22.5
228.16808	1.8
239.16508	0.7
241.18103	0.6
269.17563	0.9
325.03815	0.3
327.25369	0.5
371.20718	24.0
372.21216	2.2
389.21786	51.0
390.22113	5.8
413.21643	0.4
431.22815	100.0
432.23148	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	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03336	1.0
58.00458	1.5
59.01250	100.0
60.01577	0.8
61.98720	0.9
66.57201	0.6
69.03339	2.5
69.22968	6.5
71.01250	45.6
72.99187	3.0
73.02818	50.1
74.14594	0.7
75.00775	1.0
78.95780	1.0
81.03353	0.9
83.01256	16.2
83.01721	1.2
85.02815	4.5
87.00775	1.7
89.02314	11.4
95.01296	1.4
96.95891	1.1
97.02859	1.5
99.00780	2.8
101.02321	50.6
102.02709	1.3
102.20405	0.6
113.02326	12.2
119.03384	4.1
125.02359	2.0
131.03386	3.3
143.03387	4.6
149.04428	4.4
155.03421	1.3
161.04478	11.7
165.12796	2.2
165.58690	0.7
179.05612	2.2
185.00883	1.3
187.51559	0.6
191.05624	0.8
203.05580	1.1
209.11790	3.3
221.06610	0.7
227.16684	1.1
371.16943	1.1
371.20990	1.2
389.18112	2.0
389.22125	1.9
431.19370	16.2
431.23947	4.5
432.18985	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	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01256	2.6
62.96285	0.3
64.86005	0.2
71.50203	0.2
72.08854	0.2
76.77541	0.2
78.95776	54.7
96.96839	6.7
101.02364	0.2
106.96846	0.2
109.75581	0.2
116.92737	0.7
117.01830	0.2
145.02859	0.5
150.97903	1.8
152.99489	100.0
153.99843	1.4
171.00563	3.8
271.22693	0.2
273.42453	0.2
277.21741	0.6
431.21997	4.2
432.22305	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	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01246	0.4
59.58466	0.2
62.96279	0.3
70.30651	0.2
70.79872	0.6
78.95773	64.3
96.96841	5.7
126.15299	0.2
150.97917	1.2
152.99486	100.0
153.99809	1.3
171.00551	3.1
229.64743	0.2
277.21677	0.9
289.25980	0.2
308.41522	0.2
407.08026	0.2
431.22000	10.4
432.22351	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	431.2201
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.62409	0.2
55.86098	0.2
62.96271	0.2
69.37461	0.4
69.37881	1.3
78.95774	50.7
89.88319	0.2
94.56336	0.2
96.96840	6.2
150.97914	1.7
152.99487	100.0
153.99820	1.6
171.00551	3.9
213.95636	0.2
239.70218	0.2
277.21729	0.9
280.75967	0.2
332.11380	0.2
431.22003	4.5
432.22424	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	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96289	0.2
67.89304	0.3
69.37350	0.5
69.37749	1.8
75.78535	0.3
78.95775	59.5
86.43602	0.3
96.96846	7.5
122.85198	0.2
150.97934	1.8
152.99490	100.0
153.99843	1.4
155.67801	0.3
157.88557	0.2
171.00558	3.6
197.91809	0.2
240.04216	0.3
277.21896	0.6
347.45035	0.3
363.73315	0.3
431.22006	3.6
432.22263	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	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39640	2.5
57.03303	3.4
59.00964	2.9
59.01252	49.0
60.61130	2.4
61.98697	2.9
62.27132	2.4
68.01684	2.6
69.03344	2.9
70.62838	5.4
70.63175	4.7
71.01254	23.2
72.99165	6.6
73.02822	3.2
75.00742	5.4
83.01233	3.4
85.02816	9.2
87.00748	10.2
89.02312	17.5
99.00758	5.3
101.02314	16.3
109.02824	6.7
109.06477	2.9
111.00769	3.9
113.02320	9.3
116.07108	2.4
119.03391	7.5
123.04426	3.3
125.05895	3.3
130.08676	2.9
137.02304	2.5
137.05952	3.7
141.01828	3.0
147.08078	22.1
149.06039	6.6
151.03859	2.9
151.07538	8.8
161.04512	2.6
163.11191	2.5
164.04698	9.8
164.08299	3.7
165.09126	29.1
172.10809	2.8
179.10655	4.6
185.00729	3.9
187.95827	3.8
189.09143	25.6
191.07018	6.5
191.10687	7.6
195.04936	4.0
205.67444	2.6
206.09529	3.4
207.10219	88.7
208.10500	8.3
209.11757	8.5
233.08130	23.0
239.32730	2.9
251.09229	17.8
252.09499	2.8
253.10759	21.7
343.53580	2.6
387.22058	3.3
410.05838	2.7
413.14453	12.0
413.19849	4.6
431.15494	100.0
432.16058	15.1
439.13400	2.8
452.23349	3.0
456.50098	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	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90265	0.8
57.03342	1.0
58.00471	2.5
59.01251	65.5
59.98400	0.9
60.05045	0.7
69.79698	1.9
69.80099	2.5
71.01254	28.5
72.99204	2.5
73.02830	1.4
83.01279	2.0
85.02812	6.8
87.00721	1.2
89.02319	26.1
90.02728	0.8
95.01254	1.7
98.19838	0.8
99.03738	1.8
99.04393	30.1
100.04781	0.9
101.02328	12.8
111.04388	1.2
113.02332	9.7
119.03391	10.6
119.04182	1.3
124.43312	0.9
142.55067	0.7
143.03368	1.4
161.04459	1.8
179.05511	1.2
189.12810	5.4
190.13109	0.7
191.91753	0.9
207.13844	32.7
208.14215	2.1
227.03424	1.0
251.12862	100.0
252.13199	8.4
255.02979	0.9
269.13910	1.2
357.18793	0.8
409.42856	0.7
431.19122	46.5
432.19464	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	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11249	0.7
59.01249	100.0
60.01585	1.2
69.24347	8.2
69.73813	0.7
70.76615	0.6
73.13820	0.7
77.15568	0.8
78.95789	5.5
89.02335	1.3
91.03882	1.6
107.42532	0.8
113.13798	0.9
152.99501	9.4
166.66110	0.7
171.00603	0.9
175.65649	0.8
195.13889	1.4
218.82146	0.8
277.22040	1.1
295.22757	11.4
295.25546	1.0
374.07666	0.8
379.73221	0.7
414.10031	0.8
432.69885	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51508	0.9
57.20686	0.9
59.01249	100.0
60.01566	1.0
70.00018	4.7
78.95771	16.5
89.02383	1.0
91.03891	1.9
96.96848	2.1
112.65942	0.9
139.27232	0.9
152.99478	28.4
171.00548	4.0
172.40033	1.0
172.41589	1.1
252.30429	1.0
295.22662	9.1
314.27689	1.3
358.91068	1.1
390.64966	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	431.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.9
55.97279	1.0
57.03316	6.4
58.00455	2.3
59.01253	100.0
69.03321	2.1
71.01255	58.9
71.49208	1.4
72.98785	1.5
72.99180	23.6
73.02828	8.7
75.00746	24.8
81.03314	3.8
83.01252	5.9
83.04894	4.0
84.20946	1.1
85.02824	17.7
85.99963	1.9
87.00748	38.2
89.02319	45.2
89.68850	1.1
93.03333	2.4
95.01244	3.9
95.04883	4.2
97.02824	1.7
97.06452	1.5
99.00771	9.4
101.02326	44.4
105.06975	1.5
107.04906	8.4
108.02037	2.1
109.02820	3.6
109.06437	3.3
111.04364	1.1
111.08021	3.6
113.02339	17.3
114.05457	2.8
117.01808	1.8
119.03394	16.8
119.04832	1.9
119.08565	1.5
121.02782	1.5
121.06462	4.0
122.03589	1.4
123.04404	2.9
123.08045	10.9
125.05921	2.3
127.00335	1.0
129.01820	1.8
131.03419	1.5
131.34729	1.1
133.06464	4.2
135.04372	3.6
135.08054	7.6
137.05957	3.4
137.09584	4.8
138.03098	4.2
138.06734	1.2
139.03897	1.3
139.07539	10.0
143.03377	2.1
144.05650	2.4
145.06429	1.1
147.08075	15.6
149.06001	6.4
149.09619	37.6
150.09924	1.6
151.03873	2.8
151.07541	7.7
159.02908	1.3
159.04381	2.6
159.08096	6.9
161.04431	3.9
161.05827	1.4
161.09644	7.7
163.02367	5.9
163.03787	2.0
163.07532	5.2
163.11230	6.6
164.04645	4.4
164.08247	2.2
165.05380	2.2
165.09138	15.6
167.06966	4.2
173.05983	1.5
173.09676	1.8
174.06741	3.8
175.03897	3.5
175.07585	11.5
175.11174	3.9
176.04674	1.2
177.09143	7.1
179.05487	10.7
179.07027	11.5
179.10675	8.1
180.07600	1.3
181.04933	1.7
181.08646	1.3
183.06534	7.1
189.05412	1.5
189.09140	25.2
190.06288	1.3
190.09732	4.4
191.07089	15.7
191.10683	10.9
192.07623	2.2
192.11060	1.1
193.05006	6.2
193.08553	2.3
199.22964	1.1
203.07047	3.0
205.08653	5.5
206.09235	2.5
207.06851	1.7
207.10211	36.4
208.10506	3.1
209.11707	1.3
217.05080	2.3
217.08501	1.4
219.10204	3.3
221.08061	2.5
223.09644	1.3
225.11116	1.3
231.10248	1.9
233.08153	33.8
233.11694	1.3
234.08838	8.7
235.09740	5.7
236.10356	1.5
237.11183	4.2
238.85779	1.1
251.09224	19.3
251.12024	1.1
251.12970	1.3
252.09624	3.4
253.10767	4.6
271.11768	1.9
383.13556	2.6
387.16660	1.9
393.38806	1.2
398.16364	1.3
399.12744	2.5
413.14444	2.9
431.15445	66.7
432.15652	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.7
57.55844	1.0
58.00465	4.1
59.01252	100.0
59.98373	1.2
60.01609	1.5
69.34345	9.5
69.34673	2.0
69.36087	0.9
71.01256	51.7
72.99181	2.9
81.06978	2.2
83.01262	3.0
85.02839	7.0
86.47816	1.1
87.00772	2.6
89.02322	68.0
95.01262	4.4
99.04420	7.6
101.02325	31.6
107.70460	1.1
111.04388	1.5
111.68229	1.0
113.02331	20.5
119.03392	32.7
125.34080	1.0
131.03389	3.0
143.03407	4.7
146.68816	1.1
149.04497	2.5
149.05769	1.2
161.04453	5.7
161.13283	28.3
179.05547	8.3
187.11209	2.6
205.12292	61.7
206.12636	3.2
229.18866	0.9
249.11313	83.8
250.11606	6.4
277.28104	1.4
390.89252	1.1
429.17676	24.8
430.18277	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70598	0.8
57.03321	3.5
58.00457	1.8
59.01249	100.0
60.01569	1.3
61.98703	1.2
69.40468	3.1
69.40900	3.5
71.00851	1.4
71.01249	20.5
72.99168	1.8
73.02816	2.3
83.01255	2.7
83.04889	2.4
85.02824	5.5
87.00752	7.5
89.02316	16.1
95.01267	1.2
96.95895	2.4
97.06464	7.5
101.02319	10.6
107.04905	14.3
107.08532	2.5
113.02320	7.8
119.03383	6.0
119.04882	1.0
120.05698	2.3
125.60042	0.9
131.03342	1.4
135.04462	3.8
143.03403	1.5
152.04649	1.6
159.08150	1.2
161.04489	1.9
161.09639	12.0
161.13258	7.2
163.11177	2.6
164.30215	0.8
179.05525	1.7
187.11206	16.3
188.11598	1.0
189.09151	5.8
203.08167	0.9
203.10709	1.9
205.12277	11.0
207.10243	4.9
216.09077	0.8
223.13347	77.6
224.13655	6.1
229.12280	3.3
231.10052	1.1
249.11298	14.2
250.11606	1.0
267.12363	84.1
268.12711	4.7
309.13416	2.8
342.73242	0.9
343.10663	2.0
359.52820	1.0
369.15503	1.1
429.17505	12.1
430.18069	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
55.28547	0.5
59.01252	100.0
60.01583	1.2
69.03327	3.0
71.01251	19.4
71.49585	0.5
72.99198	1.6
73.02819	21.5
83.01261	5.4
85.02820	2.5
87.00758	1.3
89.02333	5.4
95.01273	0.7
96.95886	1.4
97.02829	1.1
99.00773	1.4
101.02328	15.7
113.02323	5.7
119.03400	2.0
119.63257	0.5
125.02308	0.8
128.03458	0.6
130.08597	1.0
131.03372	0.8
132.02026	0.6
133.02869	1.3
134.03664	0.9
135.04420	0.8
136.01544	0.7
143.03400	1.0
145.02812	0.7
149.05933	0.5
150.05498	0.9
151.03905	0.5
155.03421	0.9
161.02339	2.3
161.04440	2.4
163.11224	5.0
174.66145	0.5
175.03932	2.0
180.10281	0.6
185.00917	1.4
193.04964	0.8
203.01865	1.0
207.10210	12.7
208.10378	0.5
246.04015	0.6
369.15640	3.1
387.16510	9.0
388.17093	0.6
429.17664	75.1
430.17841	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	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06033	0.2
55.80492	0.2
59.01257	0.4
66.66364	0.2
69.30875	2.3
71.95683	0.2
98.20631	0.4
99.92462	5.2
100.93244	2.8
115.91966	100.0
116.91975	4.6
116.92752	5.6
117.92352	0.4
132.92249	1.3
155.95111	0.4
172.95406	4.1
173.95470	0.5
211.30473	0.3
255.23268	0.5
355.15799	0.4
379.60028	0.3
381.17563	0.8
395.90091	0.3
429.19489	3.7
430.19934	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	429.213
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
50.40087	0.6
55.01746	0.7
55.71040	0.6
57.03321	1.9
57.53866	0.7
58.00470	1.8
59.01250	100.0
60.01582	1.3
61.98700	0.6
62.13972	0.7
66.10090	0.7
66.82201	0.6
69.03333	3.1
71.01253	27.4
71.50088	0.9
72.99197	2.3
73.02820	13.0
73.03199	1.0
75.00756	0.8
83.01257	6.2
85.02826	8.4
87.00766	2.5
89.02322	11.5
95.01287	2.2
96.95882	1.6
98.95445	0.8
99.00764	2.1
99.04391	1.0
101.02328	21.6
113.02324	11.3
114.27664	0.7
116.07044	0.9
119.03395	5.1
125.02367	1.4
129.01808	0.6
129.10245	0.9
130.08633	4.2
137.09610	1.2
143.03429	1.6
149.04703	0.6
152.90067	0.7
161.04466	3.1
161.13382	0.9
179.05618	0.7
181.12398	0.8
185.00925	0.9
185.16606	0.7
195.13896	0.7
197.15294	0.9
203.10860	0.8
205.12375	2.0
207.13933	2.3
225.14912	8.1
249.11296	1.5
359.35165	0.7
369.19153	23.0
370.19592	2.1
387.15262	1.6
387.20248	34.4
388.20651	3.7
399.26300	1.6
410.43637	0.7
429.16727	1.1
429.21582	9.0
429.27164	2.5
430.21756	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69964	1.0
55.01740	1.7
57.03318	1.0
58.00459	4.0
59.01247	100.0
60.01606	1.0
70.80227	1.8
70.80540	1.7
71.01253	54.2
72.99182	3.9
73.02804	1.7
83.01257	2.1
85.02821	11.2
85.56274	1.0
87.00750	3.3
89.02315	78.3
90.02679	1.2
93.06967	2.4
95.01264	2.6
99.04392	6.8
101.02318	31.2
113.02334	23.0
113.15419	1.1
114.02601	1.3
119.03389	31.4
131.03392	2.5
143.03424	5.8
149.04453	3.6
155.83099	1.3
161.04478	4.4
161.13272	9.6
179.05524	11.5
187.11244	1.5
205.12245	12.5
228.35901	1.0
249.11295	97.9
250.11688	7.1
280.47778	1.3
370.27808	1.1
429.17691	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.3
55.35868	1.1
57.03324	1.6
58.00463	4.7
59.01250	100.0
59.98404	1.2
60.01571	1.1
69.57730	2.4
69.58153	5.8
71.01252	52.0
72.91971	1.0
72.99177	5.1
73.02819	2.2
74.14629	1.3
81.04689	1.0
81.06954	1.5
82.73132	1.2
83.01251	1.8
85.02824	10.2
87.00732	3.1
89.02317	61.5
92.90015	1.1
95.01270	3.7
96.95882	2.3
99.04424	6.0
101.02319	29.7
102.02717	1.3
111.04390	2.2
113.02328	20.9
119.03387	30.1
119.37730	1.2
131.03326	1.5
143.03342	5.5
149.04471	2.0
161.04468	4.8
161.13286	19.5
179.05484	7.3
184.48711	1.1
187.11224	3.7
198.04791	1.4
205.10318	2.8
205.12277	59.5
206.12589	2.9
249.11299	57.2
250.11668	3.5
297.76480	1.1
311.35501	1.2
429.17603	17.3
430.17764	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	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49079	0.9
57.03317	1.8
58.00445	2.7
59.01249	100.0
69.25017	9.5
69.38435	0.9
71.01250	39.9
72.99163	2.5
73.02802	2.2
81.06953	2.1
83.01257	2.4
83.04897	0.9
85.02817	8.2
87.00732	1.8
89.02316	48.0
95.01234	4.0
95.83107	0.8
96.95879	3.1
98.95462	2.5
98.96298	1.1
99.04404	6.2
99.77487	0.9
101.02322	22.5
111.04375	1.3
113.02326	16.8
113.05959	0.9
119.03382	20.7
131.03357	1.3
143.03398	3.0
149.04430	1.9
161.04474	2.5
161.13263	22.4
162.13614	2.9
179.05521	6.4
187.11241	2.8
205.12280	44.5
206.12639	2.8
214.78593	1.0
223.13461	1.1
247.55331	0.8
249.11290	73.1
250.11659	5.7
267.12329	1.2
298.79358	1.0
343.09174	4.1
385.10263	1.6
429.17606	57.2
430.17896	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98691	2.6
69.19434	13.2
71.01244	11.4
72.99181	2.3
78.95790	1.6
101.40794	1.2
115.00282	3.7
147.31894	1.1
152.99510	1.5
171.10179	1.6
181.12260	1.8
275.20224	3.2
293.21317	7.9
311.22299	49.6
312.22696	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01566	1.1
61.98697	7.3
71.01256	6.9
71.16392	1.4
78.95777	1.8
89.02283	0.9
91.03889	1.8
115.00232	1.1
167.10643	1.2
171.10205	0.9
223.12944	1.0
242.60527	0.8
249.22186	1.0
271.74603	1.0
275.20218	1.6
293.21252	10.8
294.21393	2.3
311.22269	23.7
312.22491	2.7
436.13577	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	429.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75115	1.1
54.91969	1.4
55.01749	3.1
57.24987	1.3
57.38083	1.2
59.01255	31.9
61.45232	1.2
67.01734	1.7
69.03327	100.0
70.03655	1.7
71.01255	15.5
71.02583	2.3
71.02905	1.7
72.99182	10.4
73.96963	1.4
75.00750	2.3
79.01770	2.8
80.02517	1.4
83.01240	1.6
85.02820	5.6
87.00746	4.8
89.02309	5.2
93.03333	1.5
95.01254	5.4
95.04925	3.1
96.00813	1.6
96.95871	2.3
97.02831	34.7
98.02422	1.5
98.03132	2.0
99.00755	27.1
101.02308	5.1
105.03311	1.6
108.02036	2.1
109.02843	8.4
113.02313	4.8
115.00246	2.8
119.03416	2.4
121.02831	10.3
122.03633	1.7
123.00739	4.8
123.04394	5.0
129.01820	2.1
134.03654	2.0
135.04443	1.4
136.01576	2.8
137.02351	9.0
138.03122	7.1
141.01852	12.3
148.01535	8.6
149.02344	8.4
150.03050	1.4
151.03918	2.6
153.05458	7.3
161.02347	1.9
161.13249	1.3
163.03964	6.9
165.01819	1.7
165.05399	2.0
166.02646	8.5
167.03369	2.6
175.03877	1.5
181.04915	5.5
185.00842	49.2
185.02490	2.7
186.01399	3.0
193.04984	1.5
194.02092	2.2
203.01915	60.5
204.02156	2.4
205.12265	4.7
223.13300	3.5
249.11230	4.2
267.12469	1.5
379.06683	12.7
396.07275	1.3
429.06668	3.0
429.12668	1.8
429.17926	3.1
433.24286	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	427.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72002	1.2
59.01255	11.2
61.98695	3.7
64.26228	1.2
70.14194	1.1
71.01252	28.5
71.50088	1.6
72.99179	10.6
92.07359	1.1
99.00771	1.3
115.00256	16.9
115.07579	1.3
121.02842	10.0
124.74182	1.1
133.01323	11.0
156.78096	1.2
167.14400	1.8
195.13799	7.0
202.70009	1.3
211.13187	1.5
283.46887	1.2
293.21167	9.7
295.50693	1.1
311.22260	100.0
312.22672	7.4
313.07184	3.1
409.22189	5.8
427.10245	2.3
427.23129	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	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.9
57.03317	1.4
58.00465	3.6
59.01247	89.2
61.98694	1.7
68.41493	1.3
69.03323	14.0
71.01249	44.5
71.04882	1.9
71.07565	2.7
72.99191	5.2
73.02814	7.0
73.03941	3.6
76.70106	1.3
78.95795	3.0
79.95635	1.4
83.01266	7.1
85.02815	9.4
85.44823	1.1
87.00745	4.5
88.31157	1.4
89.01759	2.0
89.02316	41.2
89.02847	2.5
90.02625	1.2
91.05400	1.5
95.01263	2.0
96.95884	18.2
97.02837	7.7
97.06483	3.4
98.10080	1.3
99.00764	4.6
99.03760	1.8
99.04393	25.8
99.05009	2.4
101.02318	27.9
102.02637	1.4
103.04996	7.1
108.02037	2.7
109.02808	1.7
109.49994	1.2
111.04384	2.3
113.02324	19.7
114.05489	13.7
119.03384	18.9
123.07928	1.3
129.07042	3.2
131.03397	1.5
137.09415	1.1
143.03358	3.8
143.08563	1.4
149.04474	2.2
152.01053	5.7
153.09146	1.7
157.10025	1.3
159.11694	48.8
160.12042	4.8
161.02347	2.7
161.04456	4.5
161.05750	1.3
161.09529	1.6
165.09177	6.8
175.07579	3.8
177.12825	6.3
178.06288	1.3
179.05501	5.3
179.10674	2.1
185.00787	10.3
187.11191	1.8
203.10706	100.0
204.11086	7.3
205.12276	46.3
206.12675	2.0
223.13335	16.9
229.14388	2.1
247.07153	2.3
247.09715	46.1
248.09998	3.0
251.30843	1.3
341.09082	16.3
342.09586	1.5
383.10187	10.4
390.49490	1.4
417.83673	1.3
427.12003	2.2
427.16241	4.4
427.24869	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	427.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13647	0.7
59.01250	43.1
61.98701	4.2
61.98974	0.9
70.48145	0.8
71.01250	23.6
72.99177	5.3
84.00806	0.8
98.19798	2.4
99.00745	1.1
103.37908	0.7
105.03280	0.9
111.08128	0.9
115.00253	3.8
125.09575	1.0
127.11185	1.2
133.01297	1.2
144.45941	0.8
152.99408	1.2
153.12747	2.1
169.12238	1.9
171.10072	0.9
173.56224	0.8
175.11543	1.0
181.12259	10.8
228.13583	1.3
249.22031	0.8
265.21796	1.3
275.20093	1.8
293.21198	6.9
309.20731	1.3
311.22269	100.0
312.22647	10.3
409.22366	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	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67234	0.6
53.67912	0.7
59.01234	1.7
71.01253	34.1
72.99180	8.9
97.06474	1.3
102.40426	0.6
113.09625	1.7
115.00242	13.5
117.36977	0.6
123.04470	0.7
125.05916	0.7
133.01309	7.0
139.11246	1.0
141.09125	1.4
165.12779	2.4
167.14325	1.0
181.12250	1.3
190.36023	0.6
193.12289	1.3
195.13751	1.2
211.13319	2.0
221.15451	1.3
240.13608	1.3
247.20634	2.6
273.18616	2.4
291.19647	21.6
292.19977	2.5
309.20703	100.0
310.20969	9.9
334.49225	0.7
345.20789	0.8
363.22089	1.2
365.04254	0.6
407.20779	3.4
425.21591	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	425.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88109	0.4
57.03315	0.6
59.01253	2.5
61.98703	0.6
62.26001	0.4
62.62024	0.4
70.30350	0.8
71.01252	23.6
72.01611	0.6
72.99180	6.5
79.30226	0.4
87.00732	0.7
98.20576	0.5
99.79385	0.4
101.98267	0.4
111.08029	1.4
115.00250	4.9
125.09622	0.5
127.11201	0.9
129.09129	0.6
133.01323	1.0
138.49361	0.5
151.11171	0.9
153.09169	0.7
153.12749	3.2
155.10574	1.2
165.12715	0.7
167.10667	1.1
169.12257	0.6
179.10628	0.7
179.14316	1.6
181.12218	2.1
193.15952	0.8
197.11781	2.3
199.13365	1.4
207.13779	1.4
215.12804	1.1
226.11882	0.5
227.12775	0.7
228.13515	0.6
247.20619	3.8
263.20093	0.6
265.21774	1.3
273.18542	1.7
281.21198	1.0
291.19659	20.7
292.19775	2.3
307.19104	1.1
309.20697	100.0
310.21014	12.4
330.40521	0.5
363.21765	0.5
407.20636	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	427.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34866	0.3
58.00439	0.4
58.54547	0.3
59.01249	27.6
65.20371	0.3
67.87653	0.3
69.03302	0.4
69.70518	2.3
70.63867	0.4
71.01252	6.4
72.99148	0.4
73.02814	4.9
77.66304	0.4
79.95600	6.0
80.96385	2.7
83.01250	1.6
85.02817	1.8
87.00759	1.3
89.02315	2.6
95.55204	0.3
95.95140	0.8
96.95884	100.0
97.15841	0.3
97.95830	0.4
99.00750	0.5
101.02318	4.9
103.00241	8.1
113.02356	2.0
119.03400	1.0
122.97476	0.4
130.08624	0.7
131.03413	0.5
138.97009	0.5
152.98495	0.9
161.04446	1.0
161.09662	0.4
164.98553	2.4
180.98022	2.6
187.11293	1.9
190.09912	0.5
205.12311	3.6
215.10614	0.5
233.11795	1.2
241.00156	3.5
242.99330	0.6
259.13394	0.5
277.14340	0.4
323.08005	2.0
325.07193	0.5
341.09076	97.5
342.09357	6.7
383.10132	35.5
384.10373	3.0
409.08096	1.6
427.09094	19.6
427.29083	0.8
428.09534	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	425.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94221	0.6
59.01252	2.4
61.98689	2.2
70.88811	1.0
71.01260	1.2
78.95801	0.7
79.95609	4.0
80.96399	1.9
82.13985	0.5
95.95104	68.2
96.95889	72.0
101.02290	0.5
105.33901	0.5
107.04916	0.7
119.03316	0.6
137.10939	0.6
138.96980	0.6
158.92451	0.5
164.01381	7.4
183.10172	5.3
194.99573	0.5
196.00433	1.2
219.06924	12.9
220.07321	0.7
220.58754	0.5
245.04941	2.5
259.01230	1.7
263.05930	100.0
264.06232	6.4
271.57919	0.6
394.35947	0.5
398.05215	0.5
425.11218	66.1
426.11588	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	425.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.1
61.19037	1.1
61.98697	6.1
69.03320	3.2
69.94910	1.1
71.01250	3.4
71.49326	1.8
78.95754	1.6
79.95618	1.7
85.37565	1.2
89.02321	1.3
95.95100	55.6
96.95883	44.9
99.00757	1.7
103.54593	1.4
114.68073	1.1
137.02380	1.7
139.11230	1.2
148.03972	2.3
161.02399	1.7
164.01405	7.3
165.09117	1.5
183.10179	9.4
196.00444	1.6
203.01936	1.4
219.06847	5.5
241.30794	1.3
263.05927	100.0
264.06256	4.9
425.11172	62.8
426.11349	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	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22430	0.4
59.01250	100.0
60.01584	1.5
60.36339	0.4
64.66513	0.4
71.01256	1.0
71.50491	0.8
78.95759	2.6
96.95885	2.1
101.02372	0.5
127.05087	0.9
128.03419	0.7
134.04651	1.2
145.06125	1.1
161.05992	21.1
162.06371	0.8
170.03734	0.4
258.00589	0.4
425.22964	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	423.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79709	0.3
55.01763	0.3
57.03314	0.5
59.01250	100.0
60.01590	1.2
61.98693	0.7
66.97301	0.3
67.94530	0.3
69.44364	2.3
71.01251	3.5
71.01569	0.3
72.99179	0.5
73.02835	1.0
83.01258	0.3
85.02829	1.2
88.78378	0.3
89.02345	1.0
98.19810	0.6
99.00770	0.4
101.02320	1.9
113.02357	0.9
120.04559	0.3
152.99484	0.5
161.04520	1.3
219.17517	0.5
289.18173	0.7
307.19318	0.3
343.97110	0.3
381.23022	0.9
416.47830	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08496	0.4
53.58032	0.3
59.01249	100.0
60.01583	1.1
61.98706	0.5
71.01252	1.5
72.00794	0.4
73.02820	0.7
76.06803	0.4
78.95785	0.6
85.02836	1.1
89.02322	0.8
96.95885	2.3
96.96829	0.4
98.20573	0.9
101.02354	1.3
113.02344	0.6
154.79446	0.4
161.04538	0.3
164.07089	0.4
278.01062	0.4
321.19159	2.3
372.67484	0.4
422.99948	0.4
423.16602	0.5
424.22205	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	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43896	0.3
54.41334	0.3
54.75032	0.3
59.01248	100.0
59.53083	0.3
60.01612	0.9
61.98702	1.6
69.03316	3.4
71.01263	1.6
73.02816	0.7
73.47301	0.4
78.95770	0.7
85.02837	0.8
96.95937	0.8
97.02837	0.6
99.00774	0.8
101.02341	1.1
104.97922	0.4
113.02353	1.0
128.03537	0.4
130.08661	0.6
147.62985	0.4
185.00812	0.8
245.17574	0.7
302.36990	0.4
321.19360	1.0
423.22150	1.9
424.22189	0.5
445.69888	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	423.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89041	0.4
55.01759	8.1
57.03319	6.7
58.00465	3.9
59.01249	89.4
60.01584	1.1
66.07255	0.5
69.03326	2.2
69.03979	0.4
69.35155	3.4
71.01250	100.0
72.01582	1.2
72.99181	5.6
73.02818	29.9
75.00766	1.0
81.03351	1.1
83.01250	22.0
84.02042	0.6
85.02818	41.8
85.99987	2.0
86.03168	1.0
87.00747	4.8
89.02316	44.9
93.03365	0.6
95.01266	4.7
97.02831	4.5
97.84985	0.5
99.00757	12.6
101.02320	85.4
102.02668	0.9
109.02808	0.7
111.00771	8.9
113.02328	30.2
114.02641	1.0
115.03874	2.3
119.03397	2.3
125.02334	7.3
127.11195	1.0
129.01811	1.9
131.03392	33.1
132.03781	1.1
143.03406	5.2
149.03310	1.0
149.04449	11.6
149.05641	0.7
159.02890	4.8
161.04460	25.0
162.04706	0.7
176.89447	0.6
191.05582	1.4
191.63957	0.5
199.13321	0.7
215.05545	1.6
230.24852	0.5
233.06648	5.9
273.17117	1.5
291.18118	93.4
292.18494	7.9
423.22333	70.0
424.22693	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.3
57.03321	3.4
58.00470	1.5
59.01252	30.0
68.99690	0.5
69.03320	1.5
71.01253	56.6
71.49584	0.6
72.01597	1.1
72.99178	3.4
73.02821	20.1
75.00754	0.9
76.11903	0.4
78.95794	0.7
81.03349	0.5
83.01258	12.6
83.01721	0.8
85.02822	28.4
85.99976	1.2
86.03217	0.7
87.00768	3.0
89.02317	12.7
95.01261	3.5
96.95901	0.7
97.02854	1.9
99.00753	11.2
99.66513	0.5
101.02322	50.9
102.02699	0.9
109.03973	0.5
111.00756	2.7
113.02329	22.1
114.02711	0.6
115.03925	0.8
119.03423	1.1
125.02373	1.8
125.07103	0.8
127.03996	0.5
127.05036	2.1
127.11224	0.7
128.03400	0.5
129.01830	2.1
131.03404	5.4
141.01872	0.6
143.03471	2.2
145.06102	2.5
149.04465	2.0
155.08214	0.5
159.02911	4.6
161.04463	23.2
162.04845	0.8
199.13405	0.6
205.03516	1.6
219.13791	0.8
233.06699	1.3
291.18134	100.0
292.18469	8.0
335.17252	1.0
423.22183	15.7
424.22375	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	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38305	2.9
59.01254	47.3
61.98684	4.0
62.05835	2.7
66.81327	2.9
69.40792	27.1
71.01234	10.7
73.02807	12.6
81.83311	2.7
82.64152	2.7
83.01247	5.0
85.02818	6.4
87.00752	3.0
93.03249	3.1
98.20538	6.6
101.02303	12.2
105.42054	3.5
119.05015	3.1
135.04413	8.1
137.02277	4.1
142.02916	21.7
142.04999	3.7
145.02838	4.4
150.03091	5.0
161.04482	3.4
163.03880	7.5
164.04733	16.2
165.05472	4.3
170.02351	20.0
176.04692	8.5
178.02669	3.6
182.69487	3.0
190.29817	3.0
202.05038	100.0
202.06903	5.0
261.13333	4.4
287.06369	3.9
312.06277	6.2
330.10956	6.0
342.11163	4.0
345.13361	6.6
357.13501	6.3
375.14487	56.0
376.14536	4.9
412.03461	3.1
423.17447	9.9
423.22372	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53704	0.4
59.01250	10.1
70.74154	1.5
71.01249	0.7
72.49468	0.4
78.95779	0.7
91.30247	0.4
96.95908	0.7
109.62512	0.4
113.02258	0.7
128.03430	0.4
133.80142	0.4
181.95392	0.5
184.19806	0.4
203.36980	0.4
220.60789	0.5
250.11131	0.4
254.99455	0.8
257.00891	0.7
269.00842	0.7
269.98022	9.5
285.00409	10.4
286.00800	0.8
297.97543	37.6
298.97906	3.9
299.01297	0.6
312.99899	63.0
314.00211	5.8
327.01245	0.6
328.02234	64.9
329.02588	5.4
343.04572	100.0
344.04929	10.6
363.23956	0.9
423.00299	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	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99746	0.6
59.00957	1.3
59.01252	18.5
69.03341	0.5
69.46539	2.4
69.46969	2.3
71.01282	3.0
73.02808	0.9
83.04939	0.6
84.19484	0.5
85.02837	1.1
85.59216	0.5
85.74708	0.6
85.96255	0.5
86.61716	0.6
87.08694	0.5
89.02318	0.9
94.23913	0.5
95.01228	0.6
101.02312	1.3
109.02832	0.9
113.02341	1.2
127.11198	1.2
135.58070	0.5
137.09618	6.9
153.01854	0.8
155.10690	76.2
156.11035	3.4
161.02368	0.9
165.05475	0.5
169.12206	0.7
171.10184	18.8
172.10524	0.7
179.10704	0.6
181.08633	2.1
185.11754	1.2
197.11789	1.7
199.09698	29.2
200.10034	1.5
213.11270	2.4
215.12820	0.9
217.10765	70.6
218.11032	3.4
223.09708	0.8
241.10799	2.7
259.11862	100.0
260.12195	5.7
270.29190	0.5
301.12863	3.4
361.15088	0.9
372.12878	0.6
388.98688	0.7
421.17111	8.6
422.17422	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	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01579	0.9
66.23802	0.3
69.54203	2.7
71.01266	0.9
71.26480	0.4
79.33173	0.4
83.17041	0.4
85.02866	0.4
93.87575	0.3
98.19891	0.8
113.02338	0.6
183.15904	0.3
197.15320	0.5
213.48099	0.4
228.29314	0.3
235.09702	0.4
241.14337	0.4
252.39417	0.4
351.32007	0.4
392.72238	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20494	0.3
59.01249	100.0
60.01579	1.2
61.72783	0.4
61.98714	0.8
65.74226	0.3
66.98083	0.3
71.01250	5.0
71.50237	0.4
72.99181	0.4
73.02815	1.6
83.01234	0.6
85.02811	1.8
89.02307	2.9
95.01279	0.4
96.95898	2.4
99.00758	0.5
101.02322	4.7
113.02338	2.2
119.03405	1.2
121.02857	0.6
125.02366	0.4
125.03411	0.3
141.09111	0.4
143.03458	0.6
144.07695	0.4
150.03084	0.5
161.04477	2.0
165.01920	0.5
166.05702	0.3
181.74292	0.3
199.13455	0.4
213.68802	0.4
217.34250	0.3
241.14409	0.4
257.88647	0.4
259.15527	0.8
301.16537	3.8
319.17609	13.6
320.17957	1.0
334.21979	0.4
334.25885	0.4
361.18646	9.9
361.22977	0.7
362.19235	1.3
421.04385	0.8
421.20706	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	421.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01896	1.9
57.03326	3.3
59.01250	35.1
71.01251	21.5
72.99190	3.9
73.02803	4.8
74.02347	2.1
79.63540	1.5
83.01258	3.3
85.02826	8.6
85.06440	1.8
89.02324	7.5
95.01248	2.0
95.04828	1.8
96.95885	5.1
101.02329	9.6
107.02856	2.0
113.02306	11.0
113.05968	1.8
119.04898	1.8
121.02854	2.0
123.00723	4.1
124.37698	1.9
133.02885	2.5
135.04398	16.6
136.01563	2.2
136.05191	2.6
137.09627	8.2
138.03101	8.9
138.37730	1.7
146.04010	1.8
146.77440	1.8
148.03947	3.4
149.02284	2.1
150.05502	8.7
153.05452	5.4
155.10689	35.9
161.02393	12.1
161.04448	2.4
162.02986	2.9
163.03923	35.2
164.04720	23.5
165.01895	2.5
171.10152	6.0
176.04733	4.9
178.02626	3.0
178.06259	4.7
179.07027	4.0
191.03430	6.6
192.04199	12.4
194.04480	5.4
196.03694	2.7
197.11725	2.7
199.09703	17.3
204.04185	2.0
206.05795	2.2
207.06575	63.9
208.06909	3.3
210.05278	7.1
215.12849	7.5
217.10744	24.7
219.06606	11.8
229.83939	2.4
231.06870	2.1
241.10802	6.8
255.06221	2.1
259.11853	58.3
260.12244	3.8
301.12921	13.0
313.07257	3.0
325.07092	5.5
328.09561	4.3
339.85083	2.0
340.09601	4.5
341.09164	4.2
343.11795	4.6
355.11810	7.3
356.11804	2.2
373.12897	54.8
374.13318	7.1
377.18155	100.0
378.18515	8.5
403.14001	3.9
420.61484	4.1
421.16531	12.7
421.21698	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	421.164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	6.9
59.01252	38.4
68.05033	1.9
69.03323	12.9
69.28945	14.0
70.02861	12.4
71.01247	11.8
71.04884	14.0
72.99190	9.8
73.02807	2.1
74.02312	2.5
85.02813	4.1
87.05512	7.7
89.02311	8.6
97.02816	5.9
98.19843	3.9
99.00739	4.5
99.04384	7.9
101.02312	7.8
111.00729	1.8
113.02326	3.6
116.07050	2.5
117.03291	1.8
119.03423	2.0
128.03455	1.8
130.03210	8.3
133.02873	2.7
135.04401	3.8
143.04517	2.8
145.02876	7.2
146.08133	89.3
147.04434	3.6
147.05829	4.1
147.08440	2.3
148.03928	2.6
148.28282	2.2
150.05565	2.6
153.01791	2.7
155.10760	4.1
161.02318	6.5
174.05492	4.8
175.04004	2.1
175.82034	2.4
185.00819	9.6
190.02629	2.6
191.03181	1.8
199.09682	4.4
203.01900	6.6
205.04997	4.0
217.12181	14.4
223.06064	2.4
226.05998	2.1
236.05612	6.1
259.09286	2.5
259.11810	9.4
260.09335	2.8
277.12274	100.0
278.12515	8.4
292.91513	2.2
305.44818	1.9
377.18155	14.7
403.51642	2.3
421.16699	19.8
421.21878	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	420.2753
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
51.33165	0.4
56.23062	0.4
59.01260	0.8
61.98708	0.5
64.14225	0.3
69.78419	1.2
69.78832	1.0
88.98678	0.6
121.02844	100.0
122.03191	4.2
146.04924	0.4
214.85309	0.5
249.39972	0.4
395.30420	0.4
420.27545	54.8
421.22284	0.6
421.27930	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	421.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11868	0.5
54.81831	0.5
57.03321	3.8
67.01749	2.0
69.40519	2.5
69.40948	2.4
85.02817	20.5
86.03163	0.6
87.00743	34.5
111.00761	100.0
112.01102	3.5
113.19524	0.6
116.70943	0.6
119.55437	0.5
128.39780	0.6
129.01855	4.8
130.99709	1.0
154.99751	1.4
173.00909	3.3
191.01895	83.9
192.02229	2.7
232.82448	0.6
315.94748	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	421.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34315	4.2
55.01763	4.5
57.03335	4.3
59.01250	59.6
61.98696	6.9
62.87258	4.1
68.99673	4.0
69.03320	6.4
69.08256	4.5
69.45397	26.0
71.01257	46.8
71.96017	4.4
72.99193	7.5
73.02827	11.1
75.00748	19.0
81.03338	20.1
83.01274	6.2
85.02818	32.5
87.00782	12.2
89.02314	15.4
93.03344	20.6
95.01271	7.4
96.95901	8.1
98.20603	7.6
99.00762	11.0
101.02337	15.2
103.00206	4.1
108.02086	23.2
109.02837	80.4
110.93394	4.0
111.00777	4.6
113.02333	32.5
121.02840	11.9
127.03840	4.3
128.03357	4.1
129.01852	4.8
137.02350	41.7
137.09586	4.8
145.02859	6.0
150.05502	5.0
153.01843	100.0
155.10666	15.7
163.03912	9.2
164.04695	6.4
164.07065	4.9
171.02899	14.3
179.96140	4.0
194.04466	6.0
199.09715	5.5
207.06613	16.0
217.10759	12.4
241.69121	4.5
249.06136	42.3
259.11859	15.9
267.07162	40.6
301.12680	4.5
341.09088	4.1
371.09625	7.9
373.12994	12.8
377.18097	19.2
387.09332	16.6
421.09543	13.2
421.21201	34.1
445.89832	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	419.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71322	0.5
59.01254	1.3
62.73929	0.5
63.53532	0.5
71.49841	0.6
71.66422	0.5
78.95776	53.2
82.35413	0.5
82.41039	0.5
96.96846	6.6
124.49119	0.5
128.82645	0.5
146.04501	0.6
150.97948	1.6
152.99487	100.0
153.99849	1.5
166.16057	0.5
168.64961	0.5
171.00546	5.4
185.02161	0.8
265.21683	1.2
334.99261	0.6
363.44403	0.6
419.22009	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	420.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80130	0.3
55.76437	0.3
58.95228	0.3
59.01249	5.1
61.98700	100.0
71.01251	1.5
71.50105	0.3
71.50462	0.3
84.49582	0.3
85.02805	0.5
89.02327	0.9
95.83549	0.3
96.95878	0.6
101.02335	1.0
109.02827	5.4
113.02335	0.4
121.02847	0.3
125.02350	0.3
128.03368	0.3
147.04391	2.1
150.03046	0.4
159.04417	7.2
160.04822	0.5
161.04535	0.3
176.79501	0.3
197.15317	0.3
241.14398	0.5
269.08197	3.3
313.07245	0.4
357.06110	0.4
419.22739	0.5
420.05841	0.5
420.23273	0.4
421.20840	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	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70731	1.2
54.12894	1.1
59.01249	39.8
61.61256	1.3
61.98703	100.0
69.03320	7.1
69.83995	1.2
70.95298	1.1
71.01247	4.8
73.02835	1.5
85.02804	2.7
87.00768	1.6
90.09033	1.1
97.02808	1.9
99.00760	1.6
101.02330	3.8
113.02332	3.7
114.46507	1.4
143.07007	1.2
148.04008	2.6
160.01505	1.2
161.04407	1.5
175.03932	2.9
185.00806	4.0
234.50502	1.2
266.06943	5.6
269.10297	3.4
281.09308	14.4
299.10388	1.6
311.11487	1.3
387.08173	2.1
418.17871	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
57.03316	1.6
58.00460	1.1
59.01252	48.2
60.01589	0.7
61.98681	0.8
66.04318	0.5
66.79305	0.7
69.03339	1.4
71.01255	26.1
72.99180	2.2
73.02820	12.1
75.00755	1.0
83.01274	5.5
83.04912	1.0
85.02821	8.8
87.00750	4.9
89.02314	5.0
95.01248	2.3
96.95902	1.3
97.02818	1.2
99.00761	1.1
101.02322	14.4
111.00705	0.6
113.02329	6.8
118.94107	1.2
119.03401	1.8
124.01512	1.1
125.02312	1.9
143.03403	0.8
155.10707	1.2
161.04411	2.1
164.62006	0.6
166.02679	0.6
195.13860	5.7
196.14131	0.9
213.14917	25.4
214.15222	1.7
224.76903	0.5
225.15007	0.7
227.16518	0.7
237.97081	0.6
240.04292	1.4
250.07259	0.6
255.06628	2.6
255.15941	1.3
268.98499	0.6
329.23102	0.7
357.19193	22.9
358.19540	2.3
375.20230	54.6
376.20584	5.8
399.19952	1.0
417.21262	100.0
418.21646	11.4
421.45853	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	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99370	1.3
57.03320	2.1
58.00465	5.2
59.01248	100.0
62.18196	1.6
69.63679	1.9
71.00846	3.0
71.01251	59.4
71.49995	1.5
71.50474	2.4
72.99183	3.9
73.02834	3.3
83.01253	3.5
85.02831	9.3
87.00744	3.9
89.02315	73.3
95.01302	3.4
99.00739	2.3
99.04402	16.3
101.02320	34.3
109.02821	4.3
113.01554	2.0
113.02320	27.0
119.03386	39.5
125.02342	2.4
129.22057	1.9
130.08615	1.9
131.03392	5.0
133.12140	1.6
137.02306	3.5
143.03409	6.3
149.04356	3.5
151.00237	3.3
159.04410	2.0
161.04468	6.2
166.02632	8.4
171.10266	1.8
179.05504	14.5
181.04962	15.3
192.65198	1.6
193.12137	2.6
195.10339	1.8
206.01036	1.8
237.14915	68.9
237.36691	1.9
238.15193	6.6
255.03094	2.1
284.03424	2.6
326.63705	1.8
387.10947	2.0
402.13150	2.7
408.75537	1.9
417.16028	3.9
417.20886	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48451	1.7
52.11263	2.1
55.53451	2.1
57.03320	34.7
59.01250	69.5
65.24216	2.0
69.45176	6.6
69.45593	11.5
71.01257	27.1
72.99181	5.1
73.02824	4.8
74.02331	2.3
75.00723	4.4
85.02827	12.2
87.00738	3.4
89.02311	27.1
101.02328	17.8
105.01817	2.4
113.02338	16.8
114.01858	3.5
119.03400	11.8
123.08028	5.9
129.01837	4.9
135.08029	5.1
151.11197	18.5
161.04417	12.6
175.11171	6.3
177.09126	4.1
179.05550	4.4
193.12309	12.2
237.11284	18.1
238.11487	2.6
357.15588	14.3
379.56891	2.4
399.16528	10.4
417.17673	100.0
417.22980	5.3
418.18036	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03308	0.7
58.00451	0.8
58.96562	0.5
59.01247	100.0
60.01587	1.3
70.80730	1.2
71.01251	18.5
72.99207	1.1
73.02815	13.5
83.01236	3.8
85.02819	4.1
87.00752	1.7
89.02322	6.2
95.01272	1.2
96.13957	0.5
99.00739	0.5
101.02318	12.4
109.17249	0.5
113.02316	6.2
119.03371	2.4
125.02333	0.9
161.04443	1.1
195.13841	8.3
196.14246	0.6
213.14870	3.1
255.06458	0.9
260.99475	0.5
292.64679	0.4
335.07297	0.6
356.50513	0.5
357.19193	6.9
358.19186	0.6
375.20200	16.8
376.20514	2.4
407.33936	0.5
417.21252	48.2
418.21643	6.5
436.84015	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	417.1765
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
55.01757	2.2
55.88765	0.8
57.03319	7.1
58.00464	1.0
59.01252	46.1
61.49480	0.8
64.65298	0.8
69.03328	2.5
71.01254	33.8
71.49707	1.2
72.01632	0.9
72.99188	4.6
73.02811	6.4
74.27229	0.7
75.00745	19.1
75.38263	0.8
83.01262	3.2
85.02819	11.6
85.99988	0.8
87.00748	8.1
89.02311	18.4
95.01269	3.4
97.02827	1.2
99.00753	7.2
101.02321	20.0
109.06483	1.0
113.02328	10.3
119.03391	8.4
121.58998	1.0
123.08044	3.1
127.05003	1.2
129.01843	12.8
130.08678	2.1
137.09608	1.1
143.11755	0.9
151.11189	2.1
151.71490	0.9
153.01820	1.5
159.02898	2.5
159.45737	0.7
160.08815	0.8
161.04500	3.3
162.10941	0.9
166.02626	1.2
167.03375	1.1
173.52759	0.8
175.11194	1.8
177.04044	1.1
179.05443	1.6
181.05066	1.3
181.12291	1.1
182.05765	1.9
191.05516	2.3
192.63152	0.8
193.12296	4.7
195.05037	46.2
195.13829	3.0
196.05368	1.8
211.13319	1.9
219.10175	1.5
237.11203	2.4
239.12834	13.0
240.13167	1.3
373.18649	4.1
387.22333	1.2
399.16556	4.2
417.17657	100.0
418.17972	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
59.00957	0.4
59.01250	7.7
63.26624	0.2
67.01738	0.3
69.03301	0.5
71.01249	3.1
71.49911	0.4
72.99196	0.3
73.02808	1.1
80.09818	0.3
81.03323	0.6
83.01235	0.7
84.02027	0.4
85.02811	1.2
89.02319	1.7
93.03348	0.5
95.01258	1.3
95.04900	0.5
101.02309	1.2
107.04885	0.4
108.02070	0.4
109.02839	4.2
111.00736	0.5
113.02320	0.9
118.38548	0.2
119.03403	0.5
121.02840	1.3
121.06430	0.4
123.00766	4.6
123.04401	0.7
124.01548	0.7
125.02336	1.9
133.02866	0.4
135.00780	0.5
136.01588	0.4
137.02345	15.5
138.02737	0.5
139.00267	0.5
139.03879	0.9
145.02820	0.3
147.04401	0.3
149.02365	2.2
149.05956	0.6
150.03104	0.6
151.00276	26.5
151.03874	1.9
152.01073	2.7
152.04689	2.7
153.05522	0.3
158.03534	0.3
159.04486	0.4
161.02324	0.7
163.03929	0.8
164.04691	0.5
165.01837	1.2
166.02626	68.8
167.03300	5.7
173.02383	0.5
175.03923	1.2
176.01099	0.4
177.01848	4.4
177.05455	0.6
178.02560	0.5
179.03375	1.0
179.07011	0.5
181.04980	100.0
182.05330	4.7
184.03712	1.1
189.01897	0.3
189.05490	0.7
190.02617	0.7
190.06210	1.2
191.03421	0.9
192.04181	1.3
193.04980	1.2
195.02898	0.7
203.03441	0.6
205.05064	1.5
205.08485	1.6
207.06566	1.5
209.04468	0.6
217.05078	0.4
219.06578	0.7
224.03076	0.3
235.06154	0.4
301.06915	0.5
304.21774	0.3
311.08963	0.3
328.09506	0.3
329.10294	0.6
341.10535	0.4
356.12589	0.4
357.09906	0.6
359.11447	2.1
369.09866	0.3
371.15137	0.6
387.10846	17.3
388.11218	2.3
390.33350	0.3
402.13196	13.5
403.13455	1.3
417.15598	31.0
417.21066	2.1
418.15952	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	417.1554
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
59.01251	6.6
67.01760	0.3
69.03323	0.4
69.38484	0.5
69.38889	2.2
71.01260	2.1
73.02822	0.6
81.03339	0.7
83.01237	0.4
84.02049	0.4
85.02824	1.2
89.02316	1.0
93.03347	0.3
94.02246	0.3
95.01263	1.0
95.04902	0.6
96.95905	0.5
97.02808	0.5
101.02341	1.9
107.04916	0.3
109.02839	3.9
111.00770	0.5
113.02332	0.9
115.03876	0.5
119.03386	0.6
119.33952	0.3
121.02882	0.8
121.06462	0.3
123.00772	4.3
123.04446	0.6
124.01532	0.7
125.02338	1.3
133.02820	0.6
135.04395	0.5
137.02345	16.6
138.02820	0.6
139.00259	0.7
139.03896	0.8
145.02794	0.3
149.02333	1.6
149.05948	0.5
150.03168	0.8
151.00276	28.2
151.03830	1.8
152.01102	2.3
152.04697	2.6
153.01685	0.3
153.05385	0.6
154.02541	0.5
159.04370	0.6
161.02301	0.6
162.03009	0.3
163.03987	0.6
164.04668	0.7
165.01845	1.2
166.02629	70.5
167.03300	5.6
173.02301	0.4
175.03894	2.0
176.01068	0.4
177.01871	3.6
177.05481	0.5
178.02586	0.5
179.03342	0.7
181.04987	100.0
182.05325	4.6
184.03764	1.6
189.05476	0.7
190.06259	1.1
191.03456	1.4
192.04260	1.4
193.04941	1.1
193.08324	0.4
193.12334	0.4
195.02939	1.2
196.38564	0.3
203.03426	0.4
205.05034	1.7
205.08676	2.1
207.06583	1.2
209.04529	0.5
217.05093	0.3
219.06461	0.6
220.07153	0.5
237.11223	0.5
237.14955	0.4
255.06720	0.3
301.07233	0.7
314.07977	0.4
316.09497	0.4
341.10199	0.4
357.09631	0.8
359.11307	3.0
371.14981	0.7
383.56973	0.3
387.10855	18.8
388.11105	2.2
402.07700	0.4
402.13165	12.6
403.13434	1.5
417.15579	26.1
417.20819	1.2
418.15881	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	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05165	0.4
57.28735	0.3
59.01248	100.0
60.01584	1.7
61.98701	3.7
65.44946	0.4
69.03337	0.7
70.35458	0.8
70.35845	0.8
71.01252	5.2
72.96475	0.4
72.99191	0.5
73.02818	1.4
73.03928	0.4
81.03326	0.4
83.01275	0.8
85.02820	1.4
87.00750	0.9
89.02325	2.0
94.25002	0.5
96.96849	1.0
98.19769	0.6
99.00764	0.7
101.02323	2.9
105.01839	1.0
108.45047	0.4
113.02299	2.1
119.03445	0.7
123.00770	4.2
125.02364	0.6
130.08644	0.5
137.02393	0.5
138.03125	8.9
138.04134	0.8
138.34392	0.4
139.07579	1.8
147.02901	0.9
152.64226	0.4
153.05470	8.2
161.04480	2.7
169.09760	0.6
175.11108	0.4
183.25534	0.5
191.05469	0.5
223.60358	0.4
344.48083	0.5
417.17783	5.1
417.22989	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	416.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02502	4.3
59.01258	32.4
60.01580	6.6
61.98706	11.7
64.26079	3.7
66.34113	5.3
70.38275	16.2
71.01236	16.9
75.07686	4.0
80.71645	3.9
85.02802	15.0
87.00777	5.2
89.02313	15.7
97.15201	4.6
101.02368	10.7
109.02808	4.5
113.02340	7.6
119.03373	6.8
127.03864	5.1
191.05542	100.0
191.10637	4.8
192.05829	6.4
192.11101	8.1
406.17093	5.1
416.16492	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	417.0827
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.02547	0.3
53.35708	0.3
59.01254	2.9
65.00186	0.4
85.02808	0.5
89.02305	0.6
101.02316	0.6
107.01266	0.6
119.03452	0.6
121.76281	0.4
125.02328	0.5
132.02074	0.5
135.00758	0.6
151.00296	1.6
163.00307	0.7
174.03159	0.4
178.99831	0.5
183.04393	1.1
187.03911	0.5
210.07755	0.5
211.03951	1.2
227.03448	58.5
228.03873	4.8
229.05011	1.4
239.03391	0.6
255.02975	79.2
256.03525	12.6
257.04385	1.5
284.03259	93.8
285.03915	25.7
286.04343	1.6
327.05045	0.8
417.08261	100.0
418.08646	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61538	0.4
59.01252	100.0
59.37788	0.4
60.01594	1.5
69.03326	0.6
71.01252	2.7
72.99200	0.4
75.17062	0.4
81.42224	0.5
83.01262	0.5
85.02843	1.0
87.00775	0.9
89.02340	1.7
96.95947	0.6
98.19794	1.6
98.87266	0.4
99.00749	0.7
101.02350	1.4
102.05513	1.3
113.02361	0.7
119.03418	0.8
123.00765	2.5
128.03412	4.7
138.03133	4.5
146.04463	0.7
149.09608	0.6
153.05478	4.9
154.05814	0.6
160.08960	0.5
162.33052	0.4
175.11320	0.9
181.04959	0.6
184.86894	0.4
185.00888	0.5
191.10991	0.5
193.12253	0.7
289.12372	1.1
314.46573	0.4
387.10864	0.5
399.15829	0.6
407.40891	0.5
417.17184	5.1
418.16409	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81178	0.5
54.81308	0.5
56.23103	0.4
56.63439	0.6
57.03326	0.6
58.00460	0.7
59.01250	100.0
60.01594	1.1
61.98708	0.5
69.03314	1.1
69.14920	1.0
69.15318	5.2
71.01254	13.2
72.99184	1.2
73.02815	5.0
83.01275	1.6
85.02818	3.2
87.00776	0.9
89.02319	10.5
90.47929	0.5
95.01282	1.4
96.95912	2.1
99.00742	1.2
101.02322	9.1
113.02334	5.8
119.03370	4.1
124.60480	0.6
125.02354	0.6
128.91830	0.5
131.03403	0.8
143.03397	1.0
148.05194	0.9
161.04514	1.4
173.13344	2.9
174.25359	0.5
179.05513	0.6
185.00926	0.6
235.13499	1.1
283.02792	0.8
342.13333	0.6
355.17767	1.0
415.19632	10.0
416.20239	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00962	5.6
59.01252	100.0
61.21043	4.3
71.50646	5.5
130.05469	3.7
225.03699	4.8
341.19199	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	415.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17699	8.6
59.01251	100.0
65.76688	6.7
66.78737	9.6
69.91401	25.7
77.57481	8.0
90.01909	7.9
96.00219	9.6
101.97509	7.3
119.94454	8.6
220.21220	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35865	0.7
59.01237	1.4
69.93127	1.3
69.93536	2.0
71.01238	0.6
74.98969	6.7
77.00535	75.4
77.70798	0.5
78.00874	0.8
87.94276	0.7
89.02307	0.6
98.20531	0.7
131.32632	0.6
147.08057	1.6
149.09596	0.9
161.09633	1.2
163.11185	2.3
187.11188	2.7
270.94400	0.8
280.14618	0.8
309.22336	3.2
327.69016	0.6
337.21722	100.0
338.22076	12.7
415.23096	13.2
416.23401	2.6
419.48715	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	415.1971
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.02561	0.3
55.52182	0.3
59.01250	100.0
60.01593	0.9
66.65337	0.2
69.74326	0.6
69.74748	0.8
71.01267	1.0
71.62401	0.2
73.02850	0.3
85.02833	0.6
89.34967	0.2
98.20462	0.5
101.02339	0.6
105.46505	0.3
109.31533	0.3
113.02377	0.5
125.12173	0.2
132.21295	0.2
134.31239	0.2
141.01593	1.3
196.33293	0.3
233.69579	0.3
267.07129	0.3
291.18283	0.5
373.18326	0.5
375.93542	0.3
415.23669	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	415.1972
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
54.50189	0.7
55.01740	2.6
57.03313	2.4
58.00456	0.9
59.01250	71.6
69.30190	3.4
69.30621	3.4
71.01253	26.1
72.99171	1.7
73.02821	8.3
75.00753	0.8
81.12568	0.7
83.01252	5.8
85.02347	1.4
85.02818	14.6
85.99983	0.9
87.00748	2.4
89.02318	8.0
89.65733	0.6
95.01266	1.7
97.02859	0.8
99.00740	3.1
101.02323	17.7
113.02324	10.5
119.03397	3.5
125.02274	0.8
139.03876	0.8
143.03384	1.0
146.54184	0.7
151.04027	0.7
161.04451	4.0
165.12793	1.0
167.14328	13.8
168.14705	0.9
179.05579	1.1
193.12291	12.1
211.13333	62.6
212.13680	4.1
293.92422	0.7
329.19604	3.5
332.87103	0.9
355.17603	26.9
356.17947	2.4
373.18658	45.2
374.19025	4.3
415.19714	100.0
416.19998	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	415.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01584	1.1
64.40321	0.3
71.01259	1.5
73.02816	0.4
85.02826	0.6
87.00760	0.3
89.02314	0.7
91.41611	0.4
96.95909	0.5
98.20543	1.4
101.02338	1.3
113.02357	0.5
136.10037	0.4
229.28426	0.4
258.91183	0.4
263.56064	0.3
313.16559	0.6
348.73477	0.4
369.09863	0.5
382.85562	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	415.1971
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.06127	1.1
54.64161	1.1
55.01746	1.3
57.03306	2.6
58.00449	4.0
59.01250	100.0
60.01565	1.8
63.34983	0.9
66.18934	0.9
70.68262	3.5
71.01252	43.8
72.01572	1.1
72.99161	4.9
73.02818	9.1
81.03367	0.9
83.01244	4.7
83.65730	0.9
85.02805	12.1
87.00732	3.0
88.03902	3.4
89.02316	34.3
90.80494	1.1
95.01231	2.9
96.95883	2.3
97.06462	2.0
99.00732	3.3
99.04400	8.4
101.02318	30.1
111.00700	1.9
113.02332	16.4
115.00217	1.6
119.03380	13.8
125.02287	1.5
131.03410	1.8
134.39626	1.0
143.03333	2.3
149.04530	1.8
150.16304	1.2
151.00134	1.0
152.00984	1.0
161.02353	1.5
161.04434	4.0
167.14311	1.9
167.55432	1.1
179.05525	2.9
188.35916	1.1
191.14226	1.1
193.12283	14.5
209.05997	2.7
211.13348	30.4
212.13597	1.6
235.10927	1.8
235.13351	38.6
236.13736	1.7
237.05521	7.3
251.06984	1.1
252.07729	1.5
261.27890	1.0
265.05118	5.9
266.05621	1.1
267.06348	2.6
279.06558	3.4
280.07373	13.5
281.04526	1.8
281.07672	1.3
295.06042	6.6
295.09335	2.0
296.10114	1.0
300.19217	1.5
307.05917	2.2
310.08344	3.4
312.06277	1.2
325.07040	5.6
325.10745	9.6
326.11069	2.0
340.09454	5.6
351.09833	1.5
355.11795	19.9
355.17477	24.3
356.12097	2.1
356.17786	3.3
367.08005	2.5
373.18628	62.1
374.18979	5.8
382.10522	4.5
397.13031	4.9
415.14871	2.8
415.19629	67.4
416.19861	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.1
56.06940	0.5
57.03317	1.2
58.00451	1.1
59.01250	31.9
59.04995	0.5
67.54519	0.5
70.79917	0.9
70.80272	1.3
71.01254	20.2
72.01569	0.6
72.99181	1.2
73.02809	2.4
81.03335	0.6
83.01262	2.5
83.04895	1.8
85.02829	6.7
87.00758	0.9
89.02316	14.3
91.44228	0.4
93.03404	0.5
94.04128	0.7
95.01250	2.2
95.04884	0.6
99.00742	0.9
101.02319	12.0
107.04907	1.8
109.06470	1.7
111.04401	0.8
113.02335	8.7
119.03416	3.9
122.03638	1.1
124.05209	3.5
125.06017	2.8
133.06479	2.0
137.05966	1.7
138.03107	1.3
138.06767	13.1
139.07556	20.9
140.07892	0.8
149.09587	1.3
151.07550	6.4
158.07295	0.9
161.04488	0.6
161.09645	1.7
162.93602	0.6
169.11517	0.6
173.09657	1.3
175.07587	5.5
176.08311	0.9
182.05800	1.8
191.10698	47.1
192.11044	3.4
196.21260	0.5
209.11765	1.3
233.11815	0.9
235.09723	3.3
253.59775	0.5
254.00764	0.5
280.47617	0.6
369.57620	0.6
415.16080	100.0
416.16425	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.3
56.30485	1.3
58.00460	5.2
59.01250	87.7
69.29245	2.1
69.29639	11.8
71.01254	68.7
72.99181	7.0
83.01251	3.9
85.02827	11.6
87.00743	2.2
89.02316	59.4
95.01261	5.5
98.44351	1.2
99.00750	2.0
101.02320	44.4
108.84075	1.5
113.02330	26.2
119.03387	24.9
125.05958	5.3
158.07257	5.3
163.25032	1.3
173.09616	10.0
191.05623	2.1
191.10703	74.2
192.11095	6.2
217.08737	1.9
235.09723	26.0
236.10075	1.9
388.82999	1.4
415.16071	100.0
416.16473	11.8
428.31744	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	1.4
59.01252	44.1
60.01591	0.8
63.88345	0.4
64.10667	0.4
69.40310	3.2
71.01256	21.5
72.01615	0.6
72.99184	1.8
73.02826	0.6
83.01257	1.2
85.02830	4.4
87.00772	1.0
89.02321	22.1
91.05408	9.9
92.05794	0.5
95.01279	1.5
95.04908	4.4
96.95880	5.3
97.02876	0.4
99.19320	0.4
101.02327	13.2
107.04950	0.5
109.02881	0.4
113.02341	7.3
119.03391	10.7
125.05965	2.9
131.03432	0.9
131.08511	0.7
133.06535	0.5
135.04420	10.1
143.03365	1.1
147.11642	1.0
149.04527	0.7
149.05919	0.6
149.09627	12.7
150.09982	1.3
151.07529	2.7
161.04469	1.2
161.05940	1.0
162.06769	6.8
163.07500	1.6
163.11279	0.5
165.09122	2.2
173.09631	2.6
175.07553	0.9
176.08344	1.2
179.05525	2.5
188.42966	0.5
189.09105	0.5
191.10718	100.0
192.11073	7.5
193.08661	0.5
208.07393	0.5
209.11720	0.6
235.09726	61.4
236.10051	5.7
253.10788	0.5
329.09113	5.9
339.45303	0.6
371.10257	2.3
371.17108	1.1
415.09875	1.3
415.16034	23.7
416.16479	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	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51643	1.1
52.07560	1.2
52.17557	1.2
58.00459	1.9
59.01252	62.4
69.62058	8.7
71.01250	34.9
72.99162	3.9
73.02828	2.1
75.00729	3.7
83.01265	2.7
83.04919	1.4
85.02828	9.2
87.00748	12.0
89.02317	27.1
93.03313	1.7
95.01296	1.8
98.19803	1.6
99.00748	3.0
101.02324	22.2
107.04894	1.5
113.02319	10.7
117.71178	1.2
119.03392	9.6
119.08552	3.7
121.10131	1.3
123.04452	2.2
123.08030	3.5
133.82817	1.4
139.07521	3.3
149.09619	30.8
150.10036	1.6
155.63306	1.4
157.06435	1.4
158.07201	3.8
160.08846	2.7
161.09607	6.0
163.11143	2.4
167.03407	2.5
167.06992	3.6
170.74866	1.5
173.09590	6.9
175.07513	3.8
175.11226	6.3
176.08359	2.7
179.05550	1.9
179.07053	1.8
182.05879	1.4
191.10706	40.0
192.11028	2.2
195.05019	3.8
205.08633	1.7
217.08636	2.7
219.10179	4.9
222.61792	1.4
230.47430	1.2
235.09705	28.3
237.05504	2.3
237.11304	9.8
265.05084	2.1
279.08752	2.6
280.07419	5.2
295.06039	1.7
310.08591	1.5
319.82800	1.4
325.10776	3.9
340.09406	1.7
355.11713	7.1
382.10754	1.6
397.14780	4.2
415.16077	100.0
416.16321	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52428	0.4
55.01757	0.8
57.03315	0.9
58.00461	0.6
59.01252	17.5
69.55683	3.1
71.01254	11.9
72.99197	0.6
73.02814	1.1
74.73988	0.4
83.01250	2.0
83.04891	1.1
84.96294	0.5
85.02833	3.4
89.02321	8.8
95.01257	0.9
98.20545	0.7
99.00749	0.6
101.01717	0.6
101.02330	8.0
107.04918	1.1
109.06478	0.8
111.04385	0.5
113.02341	4.7
119.03391	2.4
122.03648	1.0
124.05208	2.0
125.05962	1.7
126.00880	0.4
133.06506	1.1
137.05981	1.8
138.03114	0.6
138.06757	6.8
139.07547	13.9
145.17049	0.4
149.09621	0.6
151.07539	4.7
152.07869	0.4
161.04556	0.6
162.06812	0.5
173.09671	0.9
175.07590	3.5
182.05739	1.0
190.06082	0.5
191.10706	25.9
192.11028	1.6
209.11629	1.0
235.09743	0.7
252.52226	0.5
309.88962	0.4
358.93011	0.5
386.31622	0.5
415.16086	100.0
416.16443	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65384	0.5
58.00467	1.4
59.01251	35.5
60.01566	0.5
65.70987	0.5
71.01251	15.7
71.26393	0.8
72.99174	1.4
73.02779	0.6
83.01276	1.3
85.02833	4.3
87.32172	0.5
89.02317	12.4
94.98566	0.5
95.01259	1.6
97.23405	0.5
101.02322	8.7
107.05548	0.5
107.59949	0.6
108.16460	0.5
113.02345	4.7
119.03403	6.3
125.06020	0.9
151.07558	9.1
152.07893	0.6
158.07300	1.7
165.05473	0.6
167.03374	0.8
170.60622	0.5
173.09663	4.2
175.07515	1.2
179.05621	0.7
191.10695	51.0
192.11063	3.2
207.10173	1.1
217.08618	1.1
235.09711	19.6
236.10054	1.2
248.65707	0.7
346.63135	0.6
371.16882	1.2
415.16089	100.0
416.16464	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23257	1.1
57.03306	1.6
58.00456	1.2
58.17266	1.0
59.01248	47.2
61.28905	1.2
71.01251	34.6
71.49181	2.4
72.99175	3.5
73.02815	2.2
81.03339	1.4
83.04893	5.1
85.02824	6.3
85.12646	1.2
87.00736	1.9
89.02310	26.4
91.05405	8.5
95.01257	2.0
95.04890	4.4
96.95885	12.6
97.02817	1.2
100.07524	1.1
101.02309	18.9
113.02326	10.5
119.03389	12.6
122.06077	1.5
125.02319	2.0
125.05968	2.7
130.08638	1.6
135.04424	10.3
135.44540	1.2
143.03395	2.5
144.03592	1.1
149.04514	1.2
149.09590	12.5
151.07526	2.6
152.07083	1.3
157.62363	1.1
161.04431	2.3
162.06767	4.5
165.09177	2.1
173.09660	2.1
175.07532	1.3
179.05536	3.0
191.10689	100.0
192.11003	5.1
209.11696	1.2
235.09714	51.5
236.10027	2.5
243.17070	2.7
282.20898	1.1
329.09058	3.9
353.20740	1.9
371.21594	1.9
380.18329	1.4
415.15472	18.4
415.19943	5.1
415.24652	4.4
416.16034	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.4
56.88897	0.7
57.03327	1.9
58.00485	4.0
58.44950	0.6
59.01250	100.0
60.01588	2.0
61.95232	0.6
71.01254	52.6
71.04419	1.6
71.04795	1.0
72.01620	0.9
72.99189	5.3
72.99570	0.8
73.02815	1.0
83.01251	4.1
85.02834	10.7
87.00768	2.0
89.02318	33.3
95.01268	3.6
99.00764	1.1
101.02324	24.0
113.02327	15.1
114.02676	0.7
119.03384	10.9
125.05957	4.1
135.04387	0.8
149.45206	0.7
151.07570	1.1
158.07268	7.7
163.11150	1.0
173.08266	1.4
173.09624	13.8
174.10062	1.1
175.07622	1.4
176.08249	1.0
191.10703	38.3
192.11032	2.5
217.08713	2.1
235.09698	4.4
307.16959	0.8
327.96320	0.7
415.16071	83.2
416.16479	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	415.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.4
57.03322	2.7
58.00476	5.0
59.01249	100.0
60.01593	1.4
63.69510	0.6
68.99721	1.0
69.03014	0.6
69.03316	3.4
71.01252	76.9
71.20725	1.1
71.55844	0.6
72.01598	1.2
72.99172	6.2
73.02820	8.0
75.00745	1.6
81.03336	2.9
83.01255	7.5
85.02823	16.4
87.00748	15.5
89.02315	79.8
90.02654	1.3
91.03851	1.3
93.03340	0.6
95.01279	4.0
97.02823	9.1
97.68489	0.7
99.00771	4.7
99.04446	0.8
101.02319	63.3
102.02686	1.6
103.00270	0.7
111.00770	1.7
113.01529	1.3
113.02327	26.2
115.03853	1.0
119.03387	25.4
121.02798	1.1
123.00834	0.7
125.02333	14.1
126.02686	0.6
131.03398	4.0
139.03888	0.6
143.03387	12.2
143.04440	1.1
149.04472	2.7
161.03146	0.4
161.04440	12.7
179.05530	24.3
180.05832	1.5
185.04504	1.7
192.31233	0.6
208.74908	0.6
221.06618	7.3
235.08182	12.0
253.09291	8.2
263.07758	4.1
287.07690	2.5
305.08807	2.9
323.09824	0.8
397.13718	0.9
415.14548	98.0
416.14920	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67524	1.0
59.01247	100.0
80.11203	1.0
98.20608	1.6
101.71210	1.0
118.95811	0.9
155.00043	1.1
170.01659	1.0
195.98381	1.1
230.68927	1.1
260.07269	1.0
309.06311	1.1
316.74631	1.1
333.92953	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38026	1.7
53.16645	1.8
58.86419	1.9
59.01247	100.0
60.53359	1.6
71.30040	4.3
74.05468	1.8
87.86646	1.6
137.98451	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	414.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.7
61.98701	100.0
71.01250	1.0
71.50591	0.4
73.86839	0.3
83.01271	0.7
85.02836	0.9
89.02332	0.4
96.95894	0.7
105.21954	0.4
107.30070	0.3
113.02344	1.1
121.02952	0.3
130.83722	0.4
171.10164	0.7
174.48351	0.3
183.13820	0.4
211.13461	1.2
217.85706	0.4
222.26472	0.4
229.14523	0.9
298.87500	0.3
327.19934	0.4
329.23352	4.9
330.23581	0.5
341.23407	0.6
414.20947	10.2
415.21530	1.1
415.27185	1.2
415.73199	0.3
427.66357	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	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03316	0.9
59.01249	100.0
60.01594	0.7
60.46070	0.2
66.37093	0.3
69.03320	0.3
69.79749	0.8
69.80148	0.6
71.01252	8.1
72.99171	0.3
73.02819	2.4
83.01278	1.5
85.02821	4.7
85.99991	0.3
87.00732	0.4
89.02298	1.5
90.43740	0.3
94.40765	0.2
95.01269	0.8
99.00766	1.0
101.02322	5.9
113.02325	3.4
119.03413	0.3
149.09540	0.3
154.88673	0.3
159.02954	0.6
160.01619	0.3
161.04453	2.9
199.13481	0.4
209.11923	0.3
209.15349	1.5
210.15834	0.4
221.15446	0.3
231.70445	0.3
262.21448	0.3
353.16110	0.3
353.19769	1.8
371.20731	9.6
372.21185	1.0
379.10202	0.3
412.23935	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65929	0.7
55.01762	1.1
56.84954	0.6
57.03323	100.0
58.03660	1.7
59.01249	82.5
59.49909	0.6
60.01595	0.7
68.85149	0.7
69.03326	0.9
69.15853	7.5
71.01250	19.0
71.01624	1.3
73.02821	6.4
76.29765	0.6
78.55605	0.6
78.95779	0.9
81.03322	1.4
83.01247	3.9
85.02827	10.2
87.00758	1.3
87.05554	0.7
89.02317	1.7
94.89116	0.7
95.01279	1.1
96.95877	2.0
98.19798	1.5
99.00775	2.9
99.04395	80.3
100.04759	2.6
101.02319	27.3
102.02672	0.7
106.90660	0.6
113.02327	7.4
116.06935	0.8
125.02331	22.8
130.08630	1.3
143.03413	2.2
151.03963	1.3
152.99565	1.2
159.02908	1.6
160.01511	1.3
161.04491	9.2
175.03972	1.4
184.16685	0.6
209.11852	0.7
263.97784	0.7
269.10287	25.6
270.10721	2.7
311.11493	2.1
349.45081	0.7
413.14261	3.7
413.27811	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	411.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	6.4
61.98697	2.2
67.89158	1.3
69.26025	3.6
69.26441	8.0
71.01246	2.1
71.04873	1.1
78.95762	1.2
80.91532	1.8
83.04901	1.8
84.02042	1.2
96.95908	2.1
99.08018	3.4
99.92447	3.2
125.09610	1.4
127.11195	2.8
134.67776	1.1
137.09596	1.2
139.11195	5.1
147.11665	1.5
149.09515	1.2
163.11136	2.0
165.08899	1.3
165.12764	16.5
167.10616	1.7
171.10168	11.6
180.09615	1.3
183.13829	4.1
191.06802	1.6
193.08391	20.7
193.12122	1.8
194.08766	1.4
205.08499	1.4
209.11746	1.7
211.13307	20.4
219.09897	2.7
221.11543	10.3
229.14398	11.6
231.10039	10.1
233.11542	100.0
234.11880	5.6
249.11198	12.0
251.12564	25.2
293.21231	1.9
329.23285	51.8
330.23544	5.0
351.21487	69.8
352.21817	7.7
376.92175	1.3
411.22849	2.0
429.65894	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	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
63.25807	1.0
67.07478	1.0
71.21310	1.7
71.61140	0.9
75.39691	0.9
78.95779	3.2
87.80571	1.1
95.43984	1.2
110.83327	1.1
111.85481	1.0
120.73936	1.2
123.04403	1.7
139.53900	1.2
152.99463	4.6
153.99858	1.5
154.99980	2.4
354.77499	1.0
395.51398	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76846	2.5
58.95059	2.4
59.01250	100.0
63.00009	2.8
70.52058	6.2
70.52395	3.1
78.95755	5.5
82.08929	3.2
98.19818	3.0
125.46835	3.7
152.99469	4.0
154.99879	3.4
172.50627	3.1
191.97353	3.1
324.07150	3.1
387.43475	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	412.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.0
61.09839	0.3
61.98702	0.5
71.01248	0.8
71.29391	0.8
74.40781	0.4
87.00749	0.4
94.52673	0.3
96.95891	1.5
113.46339	0.4
120.01136	100.0
120.46929	0.3
121.01440	1.4
165.12776	0.5
245.17500	0.8
291.19717	3.1
292.19965	0.4
348.05551	0.4
380.18747	0.4
412.21457	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	411.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01250	3.2
69.03324	3.6
70.40963	0.8
70.41355	0.7
71.01254	2.7
72.99180	0.5
74.73618	0.3
75.00732	0.9
79.00430	0.3
79.95602	7.4
80.96401	0.6
85.02816	1.5
86.49951	0.3
87.00741	0.9
89.02323	1.1
92.89945	0.3
95.01231	0.4
95.95105	100.0
96.95888	26.6
97.02842	0.8
99.00751	1.3
100.40728	0.3
101.02319	1.0
110.48152	0.3
113.02319	1.5
126.80703	0.3
148.04018	0.7
150.03128	0.4
162.05563	0.9
163.00597	1.2
164.01395	8.0
181.04955	0.4
185.00868	1.3
195.06642	0.4
196.00407	1.3
203.01881	1.0
231.06885	5.8
231.10309	0.6
232.07408	0.4
233.08492	19.2
234.08746	1.0
249.05884	0.5
249.08055	1.3
267.07214	2.7
399.05386	0.4
411.13281	91.3
412.13638	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	409.2361
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
52.74273	0.2
70.81071	0.6
78.95773	55.0
82.97797	0.2
96.96842	6.1
150.97911	2.0
152.99487	100.0
153.99825	1.6
171.00565	3.5
255.23283	1.4
267.57346	0.2
324.84839	0.2
380.52722	0.3
388.30939	0.2
409.23608	8.9
410.24072	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	409.2359
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
51.16436	0.2
55.63218	0.2
56.47576	0.2
56.59523	0.2
68.72655	0.2
70.81608	0.4
70.81928	0.4
78.95774	70.4
96.96843	5.8
150.97937	1.9
152.99489	100.0
153.99829	1.7
154.77663	0.2
157.38792	0.2
171.00580	2.5
193.74980	0.2
229.60420	0.2
255.23280	2.5
256.23596	0.3
409.23602	12.8
410.24075	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	410.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	31.4
60.01596	2.4
61.98703	100.0
65.05480	1.4
66.37307	1.1
69.03324	2.6
71.01250	5.9
73.02815	3.9
89.02320	3.4
96.95881	9.6
97.66811	1.2
101.02323	6.4
113.02340	2.7
115.08698	1.4
116.38133	1.3
119.03382	1.7
128.03387	1.4
161.02362	2.2
161.04504	2.5
178.36852	1.3
185.00868	1.7
248.12892	2.1
312.74988	1.2
410.20065	1.3
411.13120	2.5
411.20712	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.2
57.03339	1.3
59.01250	100.0
60.01582	1.3
69.03327	19.5
69.28330	10.4
71.01256	25.6
72.99169	1.6
73.02822	2.9
74.57293	1.1
83.01257	2.2
85.02813	6.9
87.00764	1.4
89.02314	21.1
94.39604	1.0
95.01250	2.4
97.02827	3.9
97.35805	1.1
99.00768	6.0
101.02315	15.7
102.70752	1.1
113.02333	10.3
119.03382	10.6
119.48080	1.3
143.03398	2.6
152.99525	1.7
159.02927	1.2
161.04443	7.8
162.03093	1.1
179.05563	6.8
185.00839	5.1
189.04283	1.2
222.67183	1.0
260.28671	1.1
265.51389	1.1
312.23337	1.2
349.18704	14.8
361.86517	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68813	0.4
56.94106	0.3
59.01249	100.0
60.01600	1.0
64.47837	0.3
69.03332	1.8
70.18150	0.4
70.44441	0.6
70.44830	0.6
71.01253	3.5
73.02845	1.1
78.95789	0.5
83.01240	0.6
85.02831	1.9
89.02345	0.4
96.95891	0.4
97.02872	0.6
99.00757	0.8
101.02316	2.9
113.02341	1.5
141.01836	0.3
150.18192	0.3
151.76817	0.3
161.04500	1.9
161.45482	0.3
170.63390	0.3
185.00894	0.6
203.01985	0.3
289.16663	0.8
307.17618	8.4
308.18079	0.6
349.18765	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
59.01248	100.0
60.01585	1.1
69.03339	0.7
69.57825	1.7
71.01251	4.5
73.02824	1.1
78.95772	0.3
83.01253	0.5
85.02824	2.0
89.02309	0.4
96.95905	1.4
98.95470	0.7
99.00755	0.7
101.02317	3.8
113.02320	1.4
121.75913	0.2
125.02395	0.4
140.27867	0.3
143.03445	0.3
152.99561	0.4
159.02927	0.4
161.04480	2.1
185.00861	0.3
186.27957	0.2
190.99660	0.2
241.00226	1.1
243.00002	1.0
283.01355	0.3
289.16626	1.2
307.17612	10.3
307.21112	0.5
308.18005	0.5
323.90530	0.3
327.00156	1.3
329.00150	0.9
330.01175	0.3
349.18652	1.4
358.49319	0.3
409.18777	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48846	1.8
58.00462	2.0
59.01248	100.0
64.67522	1.8
69.03310	2.4
69.61131	13.0
71.01254	22.0
72.99155	2.2
82.33309	2.0
85.02802	3.8
89.02318	28.3
101.02322	11.2
101.06889	2.0
113.02329	10.3
119.03388	11.5
121.04065	1.9
126.72999	2.5
136.90610	1.7
141.15285	1.9
143.03392	2.7
144.98657	1.9
152.98276	1.9
161.04469	6.1
166.88142	2.0
179.05522	10.7
182.70604	1.9
187.13283	2.3
292.99002	1.8
349.18558	7.1
386.18298	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01592	1.0
61.98713	0.7
63.18810	0.3
69.03326	4.4
70.98592	0.9
71.01257	0.8
73.02844	0.4
85.02835	0.4
95.01323	0.5
96.95890	2.4
97.02836	1.0
99.00774	1.2
101.02328	0.9
103.03691	0.3
113.02324	0.4
141.01793	0.8
143.42670	0.3
148.03960	0.4
152.60500	0.3
160.49396	0.3
167.18642	0.3
180.82137	0.3
185.00891	1.4
307.17578	1.4
324.65961	0.3
348.20377	0.3
349.18771	0.5
399.30588	0.3
409.19223	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	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
56.91188	0.4
59.01249	100.0
60.01580	1.3
60.60407	0.3
61.98702	1.7
69.03320	4.0
69.75899	1.9
71.01239	2.3
72.99172	0.5
73.02824	0.9
78.95788	0.7
83.01289	0.5
85.02835	1.2
89.02322	1.1
95.01246	0.3
96.95882	3.0
97.02840	1.0
98.95483	1.4
99.00759	1.4
101.02322	1.8
113.02338	1.0
126.03619	0.4
135.04425	0.4
152.99504	0.5
159.02968	0.4
161.04495	1.0
185.00859	2.8
186.01222	0.3
191.33218	0.3
241.00209	2.0
242.00621	0.6
243.00104	1.5
248.12921	0.6
250.19740	0.3
283.01361	0.8
285.01166	0.6
289.16818	0.7
307.17578	3.9
314.00998	0.4
327.00317	2.0
329.00021	2.4
349.18872	0.9
401.99707	0.4
408.95990	0.4
409.11578	0.5
409.20175	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	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
57.03319	1.1
58.00468	0.7
59.01250	100.0
60.01571	1.1
70.36630	1.8
71.01253	10.4
72.99194	0.6
73.02821	5.6
83.01253	3.8
83.98924	0.4
85.02818	6.7
85.99937	0.5
87.00758	0.5
88.89003	0.4
89.02335	0.6
95.01270	1.1
96.95881	2.7
99.00742	2.1
101.02322	12.1
111.65865	0.5
113.02350	4.4
159.02892	0.8
161.04456	1.8
180.94955	0.5
185.15369	0.5
233.35583	0.5
241.00163	3.4
255.16035	0.4
283.01312	1.3
327.00232	3.4
328.00595	0.6
347.20639	3.6
389.21783	1.1
407.22836	88.6
408.23187	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02277	0.4
55.01757	3.7
59.01252	11.0
62.98043	0.4
67.01763	0.6
69.03326	100.0
70.03664	2.2
71.01254	1.4
71.25925	0.7
71.26260	0.6
72.99180	1.9
78.06725	0.3
79.01747	2.8
79.28490	0.4
81.67173	0.4
83.67566	0.4
85.02835	1.1
85.55659	0.4
86.84617	0.3
88.40988	0.4
90.12433	0.4
95.01269	2.6
95.98042	0.4
97.02828	19.0
98.03193	0.5
99.00754	25.8
101.02384	0.4
121.02824	0.6
123.00785	1.1
141.01831	10.3
141.67230	0.3
142.25914	0.4
145.88466	0.3
149.02359	3.6
154.84589	0.4
159.30200	0.4
164.04733	2.3
167.24602	0.5
185.00839	41.1
186.01204	1.8
186.69997	0.5
200.88197	0.4
203.01903	1.1
208.03775	1.2
223.06071	5.2
243.85396	0.4
301.81039	0.5
409.07693	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	407.2203
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01255	0.3
62.96269	0.4
70.37816	1.1
71.23757	0.3
77.96759	0.3
78.95774	100.0
86.05821	0.3
96.96843	8.7
150.97919	2.1
152.99489	88.1
153.99799	2.0
171.00554	65.6
172.00902	1.3
184.26984	0.4
186.88283	0.4
298.97595	0.3
407.22098	3.6
408.22476	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	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.37189	0.2
59.01248	0.3
59.94470	0.2
62.36597	0.2
62.37331	0.2
69.92405	1.3
78.95773	47.5
96.96838	6.6
117.34700	0.2
133.82193	0.3
150.97928	1.6
152.99487	100.0
153.99809	2.0
171.00557	4.4
171.02005	0.2
253.21661	1.3
323.57675	0.2
407.21964	5.7
408.22397	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	407.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
59.01250	89.7
60.01597	1.3
61.98713	1.3
69.03325	1.5
71.01255	13.7
71.49581	1.1
73.02813	4.9
79.95625	1.1
83.01256	3.3
85.02820	7.8
87.00765	0.7
89.02321	2.2
95.01276	0.9
96.95883	22.6
99.00767	2.5
101.02325	12.3
101.06042	0.6
103.00243	1.3
113.02323	5.5
124.23214	0.6
143.03392	0.7
159.02898	1.2
160.97716	0.6
161.02365	0.8
161.04445	3.3
169.85016	0.6
180.95087	0.6
180.97977	0.8
185.11665	1.1
241.00192	26.9
242.00569	1.8
246.11340	0.8
275.28284	0.6
283.01315	10.7
284.01642	1.2
327.00256	23.2
328.00540	1.8
333.47272	0.6
347.20667	4.8
389.21811	1.4
406.95886	1.9
407.22830	100.0
408.23190	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05322	0.2
55.82704	0.3
59.01248	100.0
60.01580	1.2
61.98693	0.8
69.03310	0.4
71.01254	2.9
71.20834	0.6
73.02831	0.9
78.95787	0.5
79.48066	0.2
79.95608	0.4
80.96381	0.4
83.01269	0.4
85.02819	1.7
87.00751	0.8
89.02313	0.8
96.95889	5.5
97.02830	0.4
97.90675	0.2
98.26952	0.2
99.00760	0.6
101.02311	2.8
101.02821	0.3
103.00240	0.3
113.02328	1.3
119.03457	0.3
121.21259	0.2
138.24008	0.2
161.04463	1.2
180.98065	0.3
185.11771	0.5
208.27693	0.3
215.12889	0.5
227.16479	0.6
241.00215	6.7
283.01208	2.3
287.15039	0.9
305.16095	1.7
327.00290	5.3
328.00787	0.4
347.16986	0.5
347.20718	0.4
372.12204	0.3
406.96143	0.3
407.22763	3.4
408.23087	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.7
57.03313	1.9
59.01254	75.7
61.98704	5.8
69.03333	1.1
69.33173	1.0
71.01255	18.9
72.99180	1.7
73.02826	8.4
75.00757	1.2
83.01260	5.3
85.02812	11.6
85.99982	1.9
86.39145	0.9
87.00726	1.5
89.02303	5.3
95.01280	1.9
96.95867	3.0
99.00744	4.0
101.01708	1.8
101.02328	22.9
103.94922	1.0
111.00714	1.6
113.02326	7.7
119.03410	1.2
127.04922	1.2
140.27272	1.0
153.73288	1.0
157.12238	1.9
159.02843	1.5
159.06552	1.0
160.76888	1.0
161.04485	2.9
164.07056	2.1
171.10228	9.1
172.81946	1.1
203.12827	4.4
227.12885	1.3
238.14160	1.0
274.36267	1.1
347.17090	43.2
348.17474	3.2
363.20206	1.6
365.18124	92.2
366.18628	8.2
389.18878	2.2
407.19229	100.0
408.19705	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	407.1921
Annotation	Daumone 4
Peak:m/z	Relative Intensity
58.00491	0.6
59.01250	100.0
60.01585	1.4
61.62764	0.6
61.98706	5.3
63.71676	0.6
69.03327	0.8
69.57483	1.1
69.57890	3.6
71.01257	5.3
73.02829	1.8
75.00744	3.0
83.01308	0.6
85.02833	1.1
87.00760	0.9
87.28356	0.7
89.02320	3.4
90.31082	0.7
96.95893	1.5
101.02317	3.6
113.02328	1.8
118.48938	0.7
119.03395	1.2
129.71091	0.8
130.08612	1.1
135.04340	0.7
136.56487	0.6
161.04439	1.1
171.10185	22.5
172.10478	0.8
179.05504	0.9
187.65289	0.7
209.11916	1.1
216.07089	0.7
227.12819	1.0
245.13913	1.7
253.09393	2.1
305.15933	1.1
347.17133	1.5
366.41486	0.7
389.19226	0.9
407.19171	7.5
408.20206	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	407.1925
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.01780	0.6
57.03345	1.2
58.00468	2.3
59.01252	42.9
65.33239	0.5
69.03343	0.6
69.86594	0.4
69.86911	2.4
71.01254	22.2
72.99176	2.3
73.02815	0.8
82.94002	0.4
82.94490	0.4
83.01302	1.2
85.02830	4.4
85.03218	0.4
85.13266	0.4
87.00786	0.9
89.02319	25.1
90.68192	0.4
95.01292	1.9
101.02323	13.1
110.02375	0.9
111.08124	0.4
113.02339	8.6
113.03072	0.6
119.03400	8.6
119.31033	0.4
131.03409	0.8
141.23686	0.4
143.03343	1.0
149.04448	0.7
161.04413	0.9
165.12776	14.9
166.13052	0.7
179.05548	2.3
183.13838	64.7
184.14186	3.8
209.11885	0.7
227.12849	100.0
228.13208	6.0
245.14041	0.9
245.17764	0.5
407.19012	29.5
408.19394	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	407.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.9
57.03323	1.6
58.00454	0.8
59.01252	67.0
60.01601	0.6
61.98701	3.7
69.03321	0.8
70.89324	0.7
71.01254	18.7
72.99184	1.6
73.02819	8.7
73.03201	0.7
75.00723	0.6
83.01262	5.3
85.02825	12.1
85.99986	1.9
87.00759	2.1
89.02299	2.8
95.01288	1.4
96.95888	0.6
97.02857	0.7
99.00766	2.7
101.02320	23.1
105.61880	0.4
111.00778	1.6
113.02325	6.4
119.03406	0.7
125.02306	0.6
127.11186	0.4
129.01833	0.6
143.03487	0.4
157.12297	1.9
159.02905	1.1
161.04495	2.3
167.10651	0.5
171.10194	5.3
173.03052	0.4
183.13708	0.7
185.11769	1.3
200.49388	0.4
203.12833	6.0
208.62418	0.4
227.12807	0.8
253.09093	0.7
303.18082	0.6
319.17572	1.0
347.17093	40.1
348.17438	3.5
359.14014	0.7
363.20090	1.1
365.18137	88.8
366.18515	7.9
407.19217	100.0
408.19595	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	406.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14238	2.3
58.02851	13.7
61.13916	2.4
65.46546	3.2
70.78800	2.7
71.26011	3.5
71.26330	3.1
74.02342	28.4
74.51462	3.0
81.04458	4.4
82.02865	6.0
86.02356	14.2
86.05972	3.5
87.05530	6.1
94.33188	2.7
99.05503	27.1
101.07057	4.3
102.05492	4.6
102.85453	2.8
109.03925	6.8
111.05479	3.1
125.03442	5.9
127.05043	6.1
128.03433	69.2
133.06845	13.6
135.05544	6.4
141.06575	3.2
143.04523	100.0
145.06133	4.5
146.04514	9.2
153.06628	7.9
167.04561	3.0
167.08160	5.1
171.03963	3.9
179.04536	23.8
181.06082	3.5
185.05630	3.1
197.05646	9.9
210.08762	28.4
244.56714	2.6
254.07796	61.1
255.08334	3.5
272.08878	67.2
273.09103	5.0
277.12366	6.8
306.66617	2.7
328.41687	3.2
388.15454	11.1
406.11197	5.6
406.16492	89.2
407.16785	10.6
431.28027	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01751	1.9
57.03315	1.1
58.00468	1.4
59.01254	28.5
61.98720	0.6
65.20728	0.4
71.01252	21.0
71.30441	0.9
72.99171	1.3
73.02828	5.6
79.95612	6.0
80.96375	0.6
83.01264	3.8
85.02827	8.4
85.06460	2.1
87.00754	1.5
88.53671	0.5
89.02321	11.6
95.01279	1.4
96.95886	1.0
97.02802	0.5
97.06488	0.7
99.00755	2.4
100.05264	0.5
101.02325	14.3
113.02334	7.0
113.09618	0.7
119.03384	4.6
129.01750	0.5
155.14331	6.2
161.04485	1.4
168.53630	0.5
179.05560	1.2
181.15843	3.8
183.13864	0.6
199.13336	15.4
200.13622	1.5
225.14886	4.0
363.20346	0.7
387.20044	1.3
405.21304	100.0
406.21643	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25604	0.5
57.03333	1.0
58.00207	0.5
58.00491	2.0
59.01251	35.0
61.98706	0.9
71.01253	20.9
71.04911	0.9
71.45979	0.6
72.01584	0.6
72.99198	1.8
73.02812	4.9
83.01290	0.8
85.02814	5.8
87.00782	1.0
88.13524	0.5
89.02319	18.7
95.01290	1.7
95.04921	0.8
98.20574	1.4
99.00751	5.8
101.02307	10.5
101.02910	0.7
111.04391	0.6
113.02333	7.5
119.03389	6.6
125.02372	0.6
125.09650	1.4
128.03438	2.6
130.08638	3.8
136.57219	0.7
143.03427	0.7
161.04512	1.0
163.11194	6.1
164.07098	1.0
173.61795	0.6
179.05565	1.4
181.12262	37.2
182.12575	2.6
183.10216	1.3
195.06392	0.6
197.13008	0.7
199.13321	2.2
207.10211	9.1
207.11972	1.0
208.10458	0.7
209.17888	0.5
223.13295	1.0
225.11275	100.0
226.11589	5.6
229.12019	0.6
243.12344	47.3
244.12593	3.4
257.83908	0.7
267.12308	1.1
275.10287	0.7
322.34195	0.6
398.86111	0.6
405.17496	31.1
405.25885	1.3
406.18005	3.5
406.23318	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	61.2
60.01599	0.7
61.98684	2.0
69.19576	7.5
71.01244	7.8
72.99168	0.9
81.06429	0.6
85.02825	1.2
89.02305	7.0
95.01257	1.0
95.04893	0.8
99.04381	0.8
101.02337	3.7
109.02864	0.7
113.02320	3.7
117.03345	1.3
119.03372	3.5
119.04864	0.7
121.02834	0.8
122.03611	0.9
123.00764	3.8
124.01555	4.9
125.09600	3.6
127.05006	0.8
130.08615	1.7
137.02278	1.1
138.03110	2.1
139.03888	8.5
139.11180	2.5
143.03374	1.2
145.02817	6.3
146.03322	0.8
147.04424	3.1
149.02335	4.5
150.03130	7.2
151.00269	24.7
151.03874	1.9
152.01009	2.9
153.05493	2.1
154.58385	0.7
158.03525	0.7
160.01543	2.8
160.05217	0.7
161.02333	2.6
161.04492	1.1
162.03148	1.3
163.03894	2.8
164.04608	1.2
165.01846	1.5
165.05490	8.8
166.02617	40.5
167.03189	2.6
173.02361	4.8
174.03098	2.4
175.03944	7.8
176.04639	2.9
177.05499	2.4
178.04788	0.8
178.06328	2.2
179.03380	1.1
179.05385	1.0
180.04179	0.9
181.04982	38.8
181.12236	0.9
182.05283	1.8
183.10184	45.8
184.10486	2.2
188.04671	1.7
189.05482	3.5
190.06235	5.3
191.03427	1.1
191.07066	3.2
193.04996	1.9
194.05772	1.8
195.06471	4.6
197.11688	0.9
203.06984	0.7
205.08548	3.8
206.08937	1.0
207.06525	1.9
207.10175	2.5
208.07367	1.1
209.08107	1.4
213.05586	1.6
223.09639	0.9
225.05502	1.9
225.11446	1.7
225.14862	1.7
228.07907	1.8
239.06987	1.7
241.05026	5.3
243.12344	5.0
251.03398	1.5
253.05031	3.1
255.06567	3.7
256.07239	1.8
267.06595	0.9
269.04541	13.5
270.04871	1.3
279.03052	1.3
281.04553	1.2
283.06189	2.0
284.06863	4.3
294.05365	1.3
295.06094	1.2
296.06830	1.7
297.04056	19.7
298.04309	1.7
299.09247	2.7
309.07718	1.9
312.06378	26.4
313.06717	3.0
327.08710	43.5
328.09052	5.4
342.11053	34.7
343.11511	4.2
357.13406	100.0
358.13736	12.9
360.11929	0.8
374.53159	0.8
375.14435	15.4
376.14743	2.2
405.15549	1.1
405.20856	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	405.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58259	0.5
57.03324	4.1
57.30970	0.5
59.01217	0.5
67.01762	2.5
70.10625	1.1
70.11018	1.3
85.02823	19.9
87.00748	32.6
88.01071	0.6
93.79341	0.6
111.00763	100.0
112.01092	3.3
125.00848	2.5
126.98765	5.8
129.01846	4.8
130.99742	1.0
154.99709	1.0
157.25635	0.6
168.99828	2.3
173.00839	3.6
191.01895	96.4
192.02267	3.7
196.99344	5.6
197.99542	0.6
282.99323	0.8
355.42596	0.6
372.55872	0.5
405.04889	3.8
406.05472	0.6
419.09149	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	405.086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
59.01240	0.5
69.91588	0.9
71.01246	0.6
73.02818	0.7
76.13789	0.2
79.95605	3.4
79.96042	0.3
80.96387	1.8
83.01262	0.4
85.02812	0.5
87.00739	0.4
94.97954	0.4
95.95118	0.7
96.95886	100.0
97.95802	0.3
98.20490	0.2
101.02319	1.1
101.09893	0.2
101.41440	0.2
104.97021	0.2
113.02328	0.4
122.97486	0.8
138.97009	1.1
148.05176	1.4
150.96997	0.6
152.98531	5.8
163.07556	0.7
166.96452	0.2
180.98045	2.1
213.00655	0.3
221.81097	0.2
225.00958	0.2
233.77673	0.2
241.00200	25.9
242.00533	1.0
246.85344	0.2
320.58951	0.2
405.08569	38.2
406.08929	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	404.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
57.15232	0.2
58.02855	2.8
59.01253	3.9
61.98695	1.2
65.54898	0.3
67.29836	0.2
69.57826	0.3
70.02850	7.9
71.01250	1.8
71.40823	0.3
71.49272	0.4
71.49654	0.4
72.04417	4.1
73.02827	0.3
74.02345	100.0
75.02681	1.1
78.95788	0.6
82.48843	0.3
83.04910	0.3
84.04426	0.7
85.02832	0.5
89.02296	0.7
96.95894	2.6
98.02357	20.6
98.31175	0.4
99.02703	0.7
101.02335	0.9
113.02334	0.3
116.03423	85.4
117.03768	2.3
119.03449	0.3
129.09137	0.5
131.58337	0.3
160.02469	0.4
190.32443	0.3
225.14888	0.5
237.18517	0.4
241.00232	0.9
243.16023	0.8
255.19675	0.4
257.21237	0.7
287.22382	0.8
299.22235	2.0
299.35095	0.3
314.06088	0.3
324.25385	2.6
325.26056	0.4
360.27649	0.8
368.24329	3.2
404.26535	40.1
405.08505	0.9
405.21298	6.8
405.26889	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	404.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77245	0.2
57.03315	0.4
58.00466	0.4
58.02848	2.6
59.01247	4.4
60.99165	0.2
61.98701	1.6
70.02850	7.0
71.01255	1.9
71.49406	0.3
72.04414	4.4
72.99213	0.3
73.02829	0.5
74.02342	100.0
75.02682	0.8
78.19215	0.2
78.95775	0.6
83.01273	0.4
83.87824	0.2
84.04430	0.8
85.02831	0.5
85.06474	0.5
86.02361	0.5
89.02328	1.0
96.95888	2.4
98.02352	18.3
99.02690	0.3
99.08017	0.2
100.03916	0.3
101.02319	0.8
113.02349	0.6
114.01811	0.3
115.07572	0.4
116.03418	83.8
117.03770	1.8
128.03452	0.3
129.09035	0.3
134.04807	0.2
160.02440	0.6
193.13971	0.2
225.14981	0.6
237.18561	0.3
241.00201	0.9
243.16003	0.9
255.19688	0.3
257.21265	0.7
282.24304	0.3
287.22131	1.1
299.22198	1.9
306.08270	0.2
309.20389	0.2
324.25403	2.3
360.27475	1.1
362.25684	0.3
368.24368	3.1
369.24875	0.3
404.26520	38.6
405.08511	0.5
405.21289	7.6
405.26883	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	403.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
57.75991	0.8
59.01251	12.1
61.98702	100.0
69.54972	3.5
69.55396	2.0
71.01269	5.4
72.99180	1.4
74.02337	2.4
75.00745	2.0
77.50252	0.8
78.95764	1.8
79.95631	0.7
83.24667	0.7
85.02826	2.7
87.00753	1.0
89.02291	2.7
98.03643	3.9
101.02317	3.5
108.41167	0.8
113.02328	1.1
114.45750	0.8
115.00282	1.7
116.03439	2.0
119.03407	1.1
125.09624	1.0
130.08624	13.0
131.08989	0.8
131.10037	1.0
135.02867	1.3
137.81337	0.8
141.09045	0.8
146.01837	0.8
151.43201	0.9
159.71645	0.7
171.10184	2.0
179.14384	1.2
195.13855	1.2
197.11716	1.0
223.13365	4.4
239.12886	1.2
241.14413	24.7
242.14757	2.0
260.06357	0.9
283.11899	2.4
285.13391	5.7
340.21237	9.0
341.21393	1.0
403.15775	1.2
403.19638	34.4
404.19867	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	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88510	1.0
56.26432	0.9
58.02844	9.2
59.01245	2.4
60.44561	1.1
62.48049	0.8
67.55667	1.3
70.02850	1.4
70.78419	0.9
70.97682	2.8
71.01263	2.1
72.00792	1.4
72.99179	4.2
74.02345	22.6
81.04450	1.2
82.02842	2.6
82.06531	1.0
86.02331	6.2
86.06038	1.3
86.98957	1.7
87.05518	6.2
90.00078	3.7
97.03948	2.5
98.16902	1.1
98.20570	1.2
99.05520	20.5
101.07089	3.2
101.92421	1.1
102.05490	2.1
108.02000	2.2
109.03974	1.8
112.03928	3.5
123.04418	2.1
123.05501	2.1
125.03461	2.4
127.05053	4.6
128.03426	56.5
129.99631	1.1
131.04483	1.1
135.05510	5.6
136.01558	3.9
137.07077	1.5
141.06622	4.3
143.04527	81.6
144.04851	2.3
145.06126	3.4
146.04471	7.2
148.01530	1.1
149.07047	1.1
150.20258	1.0
151.03944	2.6
153.06577	6.4
153.85556	1.2
155.08185	1.3
160.00642	21.9
166.09779	4.8
167.04562	5.5
177.03319	7.7
179.04559	15.8
181.05002	3.5
185.05688	2.9
192.07607	1.6
197.05580	3.1
210.08748	17.0
210.50758	1.0
231.04305	1.4
242.07799	2.6
254.07791	28.2
272.08878	37.4
273.09109	2.5
288.06558	13.6
306.07632	100.0
307.07999	6.3
317.70691	1.1
404.15192	1.6
405.21066	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	403.1974
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01753	1.2
57.03326	1.1
57.39317	0.5
58.00444	0.9
58.84035	0.5
59.01251	36.7
60.01583	0.7
61.98686	1.6
69.03311	1.1
70.44473	1.6
71.01254	22.2
71.30962	0.5
72.99181	2.0
73.02814	4.5
74.02340	1.1
83.01253	3.3
84.93727	0.4
85.02824	7.0
85.99979	0.7
87.00748	3.3
89.02319	1.9
95.01270	1.4
97.02815	1.3
98.20628	0.5
99.00753	1.7
101.02326	8.9
111.00783	1.2
113.02349	3.5
116.03426	0.5
119.03406	0.8
124.01545	1.9
125.02321	2.2
153.12761	2.5
158.33720	0.5
178.02687	0.5
181.12299	1.0
193.04971	0.8
199.13332	31.0
200.13710	2.2
211.13298	0.6
241.04515	0.5
241.14420	1.3
273.11649	0.6
325.16760	0.8
343.17606	27.3
344.17886	3.1
361.18677	61.1
362.19022	7.7
403.19711	100.0
404.20081	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	403.1972
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01742	0.7
56.07377	0.5
59.01248	10.8
61.98698	1.7
69.03349	1.2
71.01253	7.0
71.04913	0.6
73.02816	1.5
74.02338	1.3
74.32455	0.6
78.95760	1.0
79.95579	0.6
80.02541	1.2
83.01242	0.7
85.02819	2.3
87.00776	1.4
89.02306	4.2
95.01263	0.7
97.02819	0.6
98.02374	0.7
98.03606	10.8
99.00734	0.9
101.02325	4.0
101.75758	0.6
113.02334	2.1
116.03465	0.6
119.03387	1.4
123.08030	2.3
125.09581	1.3
141.09106	1.5
163.11195	1.6
165.51436	0.5
179.14384	2.7
186.84935	0.7
187.29709	0.5
223.13310	11.7
224.13617	0.6
225.14923	0.6
241.14417	60.8
242.14725	4.7
361.18472	0.6
367.05481	0.5
403.19699	100.0
404.20117	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77895	9.3
53.49241	9.3
54.91201	8.5
57.90252	9.2
59.01249	100.0
61.98695	61.2
69.03292	10.5
70.54533	9.5
71.01263	27.0
78.95763	28.7
79.95602	12.1
85.60027	9.0
88.31921	8.8
91.03879	27.9
96.95904	31.0
98.19801	29.1
113.02312	10.0
121.02818	9.7
125.64363	8.9
139.11197	15.4
143.27396	10.6
171.10190	28.4
173.92830	8.5
211.13286	29.0
229.14369	20.9
241.45590	10.0
287.22498	12.0
311.22101	15.2
329.23279	97.2
330.23346	11.3
339.11749	12.6
348.13931	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.2
57.03313	2.9
58.00448	2.4
59.01250	45.5
60.41297	1.1
60.99181	8.9
61.98688	3.1
66.29211	1.0
69.03306	2.4
70.88738	2.4
70.89091	1.6
71.01255	33.8
71.04888	2.9
72.99176	4.6
73.02810	2.9
74.02346	1.5
75.00750	1.7
78.95786	2.5
79.95603	2.5
80.96380	2.5
83.01260	3.4
85.02818	8.1
86.44003	1.0
87.00749	2.0
88.98675	58.4
89.01768	1.6
89.02316	25.2
90.02660	1.6
93.03339	1.2
95.01222	2.1
96.95879	14.6
99.00730	1.2
101.02328	18.5
113.02320	9.7
119.03371	7.4
123.08079	3.1
133.01257	1.2
134.04585	1.4
135.04366	2.1
137.09630	1.4
143.03401	1.4
143.04485	2.5
148.05223	3.0
151.03955	1.6
158.00476	1.3
164.98555	4.7
177.03311	1.7
179.05504	1.7
179.10638	2.9
179.14294	3.7
199.09581	1.3
204.98035	1.4
222.99081	2.2
223.09724	3.0
223.13347	23.1
224.13680	2.5
225.30417	1.1
241.10719	1.7
314.10376	3.0
323.08054	10.0
325.07355	1.6
355.11963	1.8
359.16779	3.3
392.44934	1.1
403.03818	4.4
403.10764	2.5
403.19684	100.0
404.19904	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01737	1.2
57.03313	2.9
58.00448	2.4
59.01250	45.5
60.41297	1.1
60.99181	8.9
61.98688	3.1
66.29211	1.0
69.03306	2.4
70.88738	2.4
70.89091	1.6
71.01255	33.8
71.04888	2.9
72.99176	4.6
73.02810	2.9
74.02346	1.5
75.00750	1.7
78.95786	2.5
79.95603	2.5
80.96380	2.5
83.01260	3.4
85.02818	8.1
86.44003	1.0
87.00749	2.0
88.98675	58.4
89.01768	1.6
89.02316	25.2
90.02660	1.6
93.03339	1.2
95.01222	2.1
96.95879	14.6
99.00730	1.2
101.02328	18.5
113.02320	9.7
119.03371	7.4
123.08079	3.1
133.01257	1.2
134.04585	1.4
135.04366	2.1
137.09630	1.4
143.03401	1.4
143.04485	2.5
148.05223	3.0
151.03955	1.6
158.00476	1.3
164.98555	4.7
177.03311	1.7
179.05504	1.7
179.10638	2.9
179.14294	3.7
199.09581	1.3
204.98035	1.4
222.99081	2.2
223.09724	3.0
223.13347	23.1
224.13680	2.5
225.30417	1.1
241.10719	1.7
314.10376	3.0
323.08054	10.0
325.07355	1.6
355.11963	1.8
359.16779	3.3
392.44934	1.1
403.03818	4.4
403.10764	2.5
403.19684	100.0
404.19904	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	Glu-Ala-Trp
Peak:m/z	Relative Intensity
57.03328	2.1
58.00463	1.5
58.02825	3.4
59.01249	77.0
69.03314	4.3
71.01253	25.2
71.49181	1.4
71.49616	2.3
72.99171	3.0
73.02805	2.7
74.02353	9.8
78.95779	3.5
79.01234	1.3
80.08424	1.3
81.03334	1.6
82.02885	1.6
83.01241	1.4
85.02820	8.4
86.02348	3.0
87.00745	4.0
87.05482	1.7
89.02319	22.6
95.04849	1.3
96.05274	1.4
97.02825	2.9
97.06470	1.6
99.00731	1.8
99.05513	6.1
101.02324	14.6
101.07081	1.7
102.05491	1.5
109.06477	7.1
112.03910	2.1
113.02332	9.8
119.03379	8.4
120.03831	1.5
123.08040	35.7
125.05963	2.4
127.05014	1.5
128.03429	17.6
131.03394	2.1
141.05463	5.8
141.06540	1.4
143.03401	1.8
143.04506	21.9
145.06168	2.1
146.04500	2.0
149.04352	1.4
153.06589	1.5
160.00645	6.5
161.04459	3.4
161.09596	3.4
163.07553	1.8
165.09048	1.7
167.04546	2.6
167.07054	9.7
179.04475	4.4
179.10689	2.3
181.08710	2.0
185.00661	1.5
193.59708	1.4
195.10178	1.7
210.08827	3.3
215.28790	1.4
223.09702	16.9
225.11238	2.4
231.38885	1.3
254.07719	6.9
272.08899	10.0
288.06592	2.4
295.94052	1.6
306.07602	26.3
343.71661	1.4
385.14728	2.9
403.16040	100.0
404.16403	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	402.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41710	0.4
52.55795	0.3
55.00192	0.4
59.01251	0.6
71.50191	0.6
78.95776	100.0
96.96848	11.9
97.11932	0.4
121.02824	1.0
402.24069	23.7
403.24426	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	403.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98474	1.8
51.42702	1.8
59.01259	14.5
59.32032	1.7
59.56307	2.1
60.99166	2.5
67.01765	7.0
69.03336	3.4
71.01243	5.5
71.19890	2.3
71.20215	3.2
72.99175	27.1
78.95773	23.9
85.02827	11.9
87.00727	10.8
89.02315	3.5
93.03334	51.0
95.01257	3.0
95.79346	1.7
96.95870	2.3
96.96859	3.0
101.02341	2.5
109.02814	6.3
110.23296	2.1
111.04388	8.3
113.02350	2.8
115.03838	2.3
121.02834	7.7
121.06495	2.2
123.00766	2.8
123.04401	3.6
124.01576	2.5
125.67591	1.8
134.04602	8.8
136.01570	4.2
137.02333	52.2
139.03894	8.5
149.02338	8.3
158.92339	3.7
165.01830	2.1
167.03426	5.1
173.04468	35.5
191.05539	100.0
192.05859	3.7
193.01338	6.3
211.02324	4.5
247.04636	13.1
347.20157	2.0
403.08710	2.6
403.16098	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	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54729	0.8
55.01759	1.8
57.03321	1.6
58.00460	3.5
58.40470	0.9
59.01250	79.6
60.01600	0.8
64.41125	0.8
67.05378	1.1
69.03317	2.1
69.33300	4.8
69.33720	2.5
71.01252	44.8
71.04888	2.3
72.99189	3.2
73.02813	2.1
83.01259	2.4
85.02834	9.2
87.00764	3.0
89.02316	46.2
90.02730	0.9
95.01269	3.6
96.95918	1.0
97.02808	1.2
99.04407	4.3
101.02321	23.8
102.02676	0.8
111.04409	2.4
113.02336	16.5
119.03397	18.8
123.08051	1.9
124.05224	1.4
129.47534	0.7
131.03389	1.6
135.11713	2.6
143.03351	2.4
149.04530	1.8
161.04451	2.4
161.09608	2.7
179.05521	3.7
179.10695	31.7
179.14275	4.0
180.11127	1.5
194.85736	0.8
220.06247	0.9
223.09720	65.9
223.13196	22.0
224.10088	3.6
224.13680	1.9
241.10738	1.6
241.14468	1.9
276.27393	0.9
403.19803	100.0
404.15726	1.0
404.20248	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	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	32.7
59.01251	78.6
67.89132	2.6
70.01943	2.9
71.01254	52.7
71.49125	5.0
73.02818	7.4
73.48530	2.7
74.02343	3.2
83.01254	4.8
85.02817	19.9
87.00756	5.4
89.01904	2.5
89.02322	26.1
95.01229	7.4
99.00729	4.5
101.02320	23.2
109.06458	3.9
111.20527	3.0
113.02332	17.8
119.03391	10.5
123.04378	3.5
123.08067	13.4
128.03412	3.1
135.04456	14.0
151.07542	37.5
152.07057	3.3
161.04404	14.3
161.09605	13.1
163.07561	37.0
165.09116	16.8
168.07736	4.0
173.09688	4.0
177.09109	12.1
179.10750	27.5
188.08289	10.7
191.05598	3.6
196.06079	10.8
203.10719	91.1
204.11119	4.4
221.11801	100.0
222.12090	8.0
239.09221	6.9
251.05838	3.0
275.32516	2.8
284.70908	3.0
293.53177	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	401.1819
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
54.48236	0.5
57.03313	1.9
58.00458	1.9
58.36959	0.5
59.01252	45.2
61.98684	0.8
63.63970	0.6
69.03314	0.8
69.15491	0.5
70.79336	1.5
71.01256	30.2
72.99182	3.5
73.02827	1.9
75.00735	0.7
78.95798	0.7
81.03331	0.6
83.01250	1.9
85.02833	6.2
87.00745	1.7
89.02319	24.0
95.01257	2.2
99.00723	0.7
101.02325	21.2
108.45694	0.6
109.02843	0.6
109.06473	0.6
113.02325	10.7
113.65808	0.5
119.03394	10.2
125.02335	0.5
131.03413	0.9
135.04465	0.8
143.03395	0.7
151.03831	1.0
153.01836	3.8
161.04498	0.9
175.02452	1.1
175.11256	1.4
177.01869	0.7
177.12823	1.2
179.05496	0.9
188.07245	0.8
196.36688	0.6
236.94543	0.6
237.07700	1.1
239.12791	0.6
283.11060	0.6
320.51294	0.6
325.12094	0.9
328.09735	0.7
369.10910	1.3
373.39139	0.6
401.18155	100.0
402.18454	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	401.1451
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
54.65075	0.4
55.01760	5.5
55.47871	0.4
57.03320	5.9
58.00467	3.1
59.01250	60.6
60.01597	0.8
61.98696	0.5
68.99691	0.8
69.03319	2.6
69.52719	2.6
71.01253	100.0
72.01584	1.2
72.99179	6.4
73.02819	25.6
74.02341	0.4
75.00744	1.3
79.95511	0.4
81.03323	1.6
83.01255	16.0
84.02044	0.4
85.02820	38.1
85.99961	0.5
86.03159	0.7
87.00750	4.8
87.05527	0.4
89.02316	43.6
90.02650	0.7
95.01263	3.9
96.95897	0.7
97.02830	4.9
98.20493	0.8
99.00758	9.6
99.04398	0.4
101.02322	65.6
102.02648	1.7
107.04884	0.7
108.26841	0.4
111.00764	11.3
111.01494	0.8
113.02329	25.9
114.02680	0.9
115.03889	2.4
119.03395	1.1
121.02818	0.4
125.02341	7.6
127.03835	0.5
128.03421	0.5
129.01852	2.0
131.03395	24.3
132.03755	0.6
137.02310	1.0
139.03842	0.5
141.01865	0.4
143.03415	5.4
149.04462	11.8
150.04874	0.4
159.02899	4.2
161.04469	28.1
162.04802	0.9
180.04243	0.5
187.06068	0.5
191.05522	2.5
195.06549	0.7
203.05565	0.6
205.03462	1.2
215.05544	1.6
221.04488	0.6
233.06627	7.3
234.07013	0.5
251.09239	1.5
259.56058	0.3
269.10287	51.5
270.10626	4.0
293.08728	2.5
313.09439	0.7
315.07574	1.1
376.09766	0.4
383.34448	0.4
401.14517	45.8
402.14828	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	401.1815
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
51.79558	0.2
55.01755	2.2
57.03326	2.8
58.00456	1.0
59.01252	22.1
60.01594	0.3
64.06615	0.3
64.66796	0.3
66.61055	0.3
71.01252	17.6
71.36942	0.4
72.99175	1.0
73.02441	0.5
73.02818	4.6
75.00755	0.3
83.01262	3.7
85.02823	8.3
85.99992	0.3
87.00746	0.8
89.02316	7.6
94.78005	0.3
95.01264	1.6
97.02814	0.3
99.00761	2.0
101.02321	15.1
106.50506	0.3
111.00805	0.4
113.02328	6.6
119.03396	3.3
123.08034	2.8
125.02345	0.4
131.03339	0.4
159.02882	0.4
161.04445	1.6
161.09512	0.4
177.12740	4.2
195.13844	2.0
221.11777	4.1
332.35461	0.3
401.18137	100.0
402.18506	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	401.1815
Annotation	Spionoside B
Peak:m/z	Relative Intensity
50.38760	0.4
59.01251	12.0
61.30677	0.5
69.47287	1.5
69.47695	2.0
71.01254	5.6
72.99185	0.4
73.02808	0.8
76.51418	0.5
81.49223	0.4
83.01257	0.5
85.02818	1.9
89.02320	4.4
95.01244	1.0
97.06469	1.2
101.02338	2.5
106.04136	0.8
106.61463	0.5
113.02330	4.0
119.03358	1.4
120.73195	0.5
153.12679	1.3
161.04404	0.7
171.10152	0.6
177.12758	6.6
195.13828	100.0
196.14149	7.2
197.11555	0.5
203.10703	1.8
209.15482	0.5
219.13870	1.5
219.75716	0.4
221.11797	1.9
239.12851	87.1
240.13171	6.4
263.12851	3.5
280.18088	0.5
281.13913	3.1
327.21738	3.4
397.01550	0.5
401.18005	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91377	3.0
54.31536	3.1
54.54303	3.1
57.03321	3.1
58.00467	3.3
59.01250	81.6
63.83250	3.2
71.01254	32.3
71.36253	5.1
78.40443	3.1
83.04890	7.6
85.02835	11.0
89.02329	32.0
93.07010	8.6
101.02304	16.6
113.02320	11.5
119.04852	3.8
122.17286	3.1
133.10109	5.2
145.06465	15.6
159.08023	9.4
160.08846	81.3
173.09637	14.3
175.11217	100.0
176.11505	6.3
177.37164	3.3
184.13522	3.7
219.10194	47.6
220.10857	4.0
251.66508	3.6
270.09030	3.4
309.50833	3.8
399.16614	20.3
400.16931	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	400.9528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.8
58.26361	1.1
59.34372	1.1
71.01248	14.7
71.48180	2.1
72.99178	4.6
74.86089	0.9
77.48012	1.0
77.58027	1.0
77.99071	1.1
78.95766	1.6
80.16843	1.0
81.18009	1.2
84.69062	1.1
85.02818	11.8
87.00754	28.4
89.02345	2.0
93.23466	1.1
111.00769	65.1
112.01102	1.6
115.00257	38.7
129.01852	2.5
133.01328	100.0
134.01662	2.9
152.95834	1.6
173.00781	1.6
191.01907	65.1
192.02222	2.7
228.97537	1.2
248.49153	1.0
265.07162	1.2
296.94128	1.5
310.95779	1.1
400.95355	1.9
401.10983	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60661	0.8
58.00470	1.7
59.01249	33.4
59.88533	0.8
71.01253	17.1
72.99147	1.6
80.68224	0.8
83.04898	3.6
85.02814	3.1
87.00767	0.8
89.02316	20.4
89.20544	0.9
91.05394	1.0
93.06982	3.3
101.02319	9.8
113.02333	6.2
113.36096	0.7
119.03379	6.2
119.04941	1.1
131.86456	0.8
133.10107	3.6
135.23958	0.9
145.06500	3.8
157.10146	2.4
158.07228	0.9
159.08052	3.2
160.08839	43.8
161.04419	0.9
161.09161	2.4
173.09618	7.2
175.11200	73.7
176.11546	5.4
179.05559	1.0
183.05368	0.8
208.27567	0.8
219.10208	100.0
220.10574	8.3
268.28998	0.9
371.16513	0.8
399.16550	29.9
400.16858	3.3
403.99231	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.0
57.03321	1.8
58.00456	2.5
59.01253	52.2
60.01582	0.8
61.26854	0.5
69.03324	0.6
71.01255	30.7
72.99184	3.7
73.02827	1.5
76.10097	0.5
78.95755	1.5
83.01252	2.0
83.04898	3.4
85.02836	7.4
85.45101	0.5
87.00774	1.1
88.98685	2.0
89.02321	25.0
91.05415	1.4
93.06981	3.2
94.65932	0.6
95.01257	2.3
96.95885	2.0
99.00728	1.3
101.02325	19.4
113.02342	9.1
119.03398	10.0
119.04867	1.4
123.08050	1.8
123.20876	0.5
124.87537	0.5
130.08618	1.1
133.10118	3.6
135.04338	0.7
143.03426	1.0
144.05734	0.6
145.06508	3.9
157.10123	1.9
158.07379	0.8
159.08025	3.7
160.08849	36.0
161.04395	0.6
161.09166	2.3
173.09660	6.3
175.11201	64.9
176.11531	4.8
179.05524	1.0
185.00854	0.7
219.10217	67.4
220.10524	5.8
226.83472	0.6
253.00204	0.5
275.56839	0.5
304.39304	0.5
312.12201	0.6
361.14102	0.8
399.16592	100.0
399.25763	2.8
400.17026	12.8
411.96735	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	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16403	0.5
54.41982	0.5
55.01756	4.2
59.00988	0.9
59.01250	8.1
59.57117	0.6
68.35366	0.5
69.03325	100.0
69.18693	1.9
69.19118	4.0
70.03654	1.7
71.01250	1.5
72.99183	2.1
79.01773	2.4
85.02827	1.5
95.01270	2.3
97.02825	19.0
98.20592	1.1
99.00757	25.2
113.02330	0.8
123.00781	0.9
141.01828	9.0
151.11177	3.8
160.77814	0.5
165.71535	0.6
185.00839	62.8
186.01122	2.7
203.01917	1.2
213.11328	3.6
259.68344	0.5
399.12811	8.8
400.13257	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	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.5
55.43000	1.3
57.03320	2.9
57.25555	1.5
58.00454	6.2
59.01250	99.9
60.01606	1.6
68.58633	1.6
69.03325	5.5
71.01253	100.0
72.99175	8.8
73.02818	18.2
75.00736	1.8
81.03323	5.6
83.01240	13.0
85.02824	22.8
85.99954	1.8
87.00749	17.7
89.02314	73.9
91.03872	3.0
95.01259	5.8
97.02838	16.8
99.00753	6.1
101.02321	81.4
103.03896	1.7
107.04918	1.7
111.04443	3.5
113.02325	33.9
115.03884	2.4
119.03394	27.7
123.38618	1.8
125.02330	24.4
131.03406	2.3
133.04924	5.1
139.03935	4.1
143.03416	11.4
161.04457	10.5
169.04936	3.0
179.05563	7.5
185.04474	2.1
217.07162	3.9
221.06569	4.3
235.08203	23.1
245.06775	1.7
253.09315	3.3
263.07788	2.0
277.09241	2.2
305.08728	3.2
323.09833	2.5
328.98630	1.6
351.86688	1.7
397.13483	75.6
398.13647	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	397.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72316	0.9
57.03304	1.0
59.01250	23.4
68.66276	0.8
69.03328	3.1
69.68742	0.8
70.50792	2.1
70.51177	1.8
71.01254	12.1
72.99194	1.8
73.02822	6.9
75.00751	3.6
78.95744	1.6
83.01268	2.1
84.01547	0.7
85.02826	7.7
87.00750	2.6
89.02305	2.0
89.29768	0.8
94.70826	0.9
95.01251	1.1
96.95879	2.6
97.02845	1.3
99.00759	2.7
100.22713	0.8
101.02307	3.3
113.02330	7.5
117.01786	1.0
117.03355	1.2
121.02835	0.9
128.08946	0.8
129.01805	0.9
129.05521	1.5
132.02052	17.7
134.03629	30.2
134.04668	1.5
137.02319	1.0
138.49667	0.9
139.03938	1.0
145.02811	1.4
146.03505	0.9
147.04414	3.3
147.06554	2.6
148.03951	1.6
148.05150	1.2
149.02315	1.2
149.05952	4.1
152.99509	1.9
160.01566	78.0
161.01900	4.3
172.54385	0.8
174.03113	2.6
175.03925	100.0
176.04355	6.6
188.04784	0.9
189.05344	1.4
191.07091	5.7
191.08585	1.0
193.04991	30.4
194.05235	1.3
202.02676	4.7
203.01868	1.0
207.06609	2.0
217.05005	18.8
218.05345	1.2
221.08173	1.4
235.06081	5.7
247.05994	1.7
249.06129	6.2
267.07184	14.4
295.89780	0.8
337.09241	2.1
379.12360	1.3
397.07635	0.9
397.13232	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	397.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.8
58.28495	0.9
59.01253	19.9
63.40835	0.8
69.03326	1.3
71.01260	10.6
71.07539	2.1
71.07892	0.8
72.37302	0.9
72.99183	1.3
73.02816	5.3
75.00742	2.7
78.95793	2.4
83.01258	2.9
85.02823	6.1
87.00751	1.8
89.02353	1.6
92.30405	1.1
94.62018	0.8
95.01273	1.2
96.95890	3.0
99.00768	1.9
101.02332	3.3
109.02860	0.9
111.00816	1.5
113.02307	6.8
117.03389	1.2
120.25571	1.0
129.01848	1.1
132.02068	14.2
134.03630	25.9
135.04337	1.3
135.72702	0.9
138.72031	1.1
145.02840	1.8
147.04424	2.6
147.06488	1.7
149.02321	1.6
149.06006	3.0
152.99493	2.4
160.01567	66.4
161.02003	2.8
164.07106	1.1
174.03160	2.4
175.03922	100.0
176.04393	7.7
178.02637	2.2
185.00894	0.9
185.26483	0.9
188.04625	1.2
189.05527	1.0
191.07085	6.7
193.04996	35.0
193.06773	2.1
194.05284	1.5
202.02631	4.0
207.06644	2.2
217.05025	18.9
218.05521	1.6
235.06099	4.2
247.03320	1.2
247.06065	2.2
249.06107	6.0
265.07275	1.6
267.07220	17.1
268.07617	0.9
337.09344	3.1
379.12363	1.8
397.12930	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	395.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
69.03336	0.2
71.01247	1.4
71.50263	0.3
73.02831	0.4
79.95612	2.6
80.96387	0.3
85.02810	0.7
93.41865	0.2
96.95891	100.0
97.94586	0.2
97.95831	0.4
98.95495	0.3
99.00769	0.3
99.08850	0.2
101.02316	0.9
113.02333	0.5
113.26054	0.2
113.37694	0.2
118.81429	0.3
125.42313	0.3
161.04482	0.5
165.70004	0.3
225.40274	0.2
233.15648	0.3
238.98734	0.3
256.99835	1.3
395.13870	2.8
395.21078	36.6
396.14032	0.5
396.21423	3.7
408.71683	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	397.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84164	0.2
56.76468	0.2
57.03318	1.1
58.00487	0.2
58.41181	0.2
59.01252	2.5
60.99168	0.7
65.03835	0.3
67.01409	0.3
67.01759	4.9
69.03320	1.4
69.59927	0.5
69.60344	0.8
71.01250	4.0
71.04902	0.3
72.99182	0.2
81.03328	1.2
83.01244	0.3
83.04908	1.1
85.02825	2.0
87.00748	0.4
89.02351	0.3
91.92435	0.2
93.03333	30.3
94.03677	0.9
96.95889	0.6
97.02834	0.3
99.04407	0.7
101.02301	0.3
108.02053	0.3
109.02850	0.9
111.00813	1.0
111.04402	5.4
113.02319	0.9
117.03358	0.2
119.04929	0.2
119.57830	0.2
121.02833	2.8
127.03898	0.6
137.02341	4.9
144.89581	0.2
147.04454	1.0
149.02345	19.0
150.02689	0.7
152.01071	0.3
155.03394	5.0
156.03755	0.3
163.03899	0.2
164.04698	13.7
165.05028	0.7
173.04466	100.0
174.04814	3.6
175.03932	0.2
179.07037	1.4
191.05545	5.1
208.03711	0.5
215.21016	0.2
215.48608	0.2
223.06064	14.1
224.06438	0.8
231.37926	0.2
277.73315	0.2
309.08841	0.2
397.11517	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	395.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41045	0.4
55.01764	0.4
55.91381	0.3
57.03323	1.3
59.01254	3.3
59.06085	0.3
59.95706	0.3
62.17229	0.3
69.03358	0.4
71.01257	4.7
71.65501	0.3
72.99194	0.5
73.02814	0.4
75.00745	1.4
79.95610	5.2
79.96664	0.3
80.96400	1.7
83.01255	0.5
85.02821	4.9
87.00777	0.4
89.02326	1.4
89.76048	0.3
95.95125	1.3
96.95888	100.0
98.20650	0.7
99.00743	1.9
101.02326	0.8
115.03886	0.9
121.02843	0.5
122.47300	0.3
128.50871	0.4
129.01834	2.6
135.20398	0.3
138.96997	1.3
149.47728	0.3
150.96954	1.1
152.98535	1.0
159.02974	0.5
168.98055	1.6
176.98534	0.9
177.02510	0.6
177.03973	7.6
180.98085	0.6
194.99648	1.4
213.00717	0.5
241.00182	2.1
256.99713	39.9
258.00061	1.4
278.86993	0.4
302.25305	0.3
369.03766	0.4
395.13785	82.7
396.14145	8.4
396.19043	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	395.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30555	0.1
71.36330	0.2
79.95606	1.9
96.95886	100.0
97.95826	0.3
102.90590	0.1
112.81944	0.1
126.98705	0.1
134.25940	0.1
159.04808	0.1
163.27332	0.1
198.28012	0.1
329.95428	0.1
395.21048	32.1
396.21384	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	394.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
61.98702	1.5
65.48357	0.2
66.17309	0.2
67.29418	0.2
69.69805	0.5
69.70206	0.8
75.75502	0.2
78.95777	100.0
86.79563	0.2
91.02343	0.2
96.96836	3.2
98.20569	0.2
130.98750	0.2
191.38815	0.2
192.89554	0.2
193.18982	0.2
195.50607	0.2
234.61995	0.2
394.23608	22.5
395.24081	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	394.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41071	0.1
59.01245	0.3
61.98699	10.6
62.18559	0.1
62.96268	0.3
69.65749	0.2
69.66161	0.6
78.95773	100.0
85.12018	0.1
91.80010	0.1
96.96836	3.2
98.20518	0.3
137.58458	0.1
146.90422	0.1
171.18506	0.1
178.75058	0.1
312.22772	0.2
315.05145	0.2
370.55243	0.2
378.35315	0.1
394.23593	21.7
395.24002	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	393.2133
Annotation	JBIR-56
Peak:m/z	Relative Intensity
50.39145	0.5
55.01762	1.4
57.03317	1.0
58.00468	0.8
59.01253	15.9
71.01254	10.2
71.49515	0.7
72.99201	1.2
73.02830	4.1
83.01245	2.8
85.02816	4.9
87.00753	1.3
89.02310	2.5
95.01283	0.9
97.02883	0.6
99.00744	1.7
101.02322	7.4
108.71619	0.4
111.00781	1.1
113.02325	3.0
119.03419	0.6
127.11187	0.5
171.10207	1.4
213.14917	1.4
229.14319	0.8
231.15976	22.9
232.16315	1.5
375.20197	3.1
377.78128	0.5
393.21307	100.0
394.21655	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11088	0.3
57.03323	0.4
58.00478	0.5
59.01246	100.0
60.01579	1.7
61.01670	0.9
69.03343	0.3
71.01250	9.7
72.01571	0.7
72.99191	0.4
73.01685	0.4
73.02823	0.9
74.36838	0.3
75.00751	0.4
78.95805	0.4
79.95614	0.5
83.01265	0.4
85.02805	1.6
87.00743	0.7
89.02311	11.6
95.01277	0.7
96.95874	2.7
97.02861	0.4
98.20599	0.4
101.02319	4.7
109.01717	0.3
111.00768	0.3
113.02316	4.1
119.03381	4.1
131.03432	0.6
141.09126	0.6
142.09464	0.4
143.03438	0.9
149.04466	0.6
161.04453	1.5
179.05531	1.9
245.24467	0.3
274.27069	0.3
351.19171	1.7
393.12048	0.6
393.19595	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	393.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18377	0.8
54.51481	0.8
59.01239	2.8
59.10456	0.8
68.63647	1.0
71.01254	100.0
71.08780	2.3
71.09154	1.9
73.10533	1.0
79.58534	1.0
81.15150	1.0
82.11026	0.9
104.37236	1.1
115.00251	17.4
126.11807	0.9
133.01318	1.6
250.52029	1.0
251.22028	1.0
268.48788	0.9
277.21722	89.4
278.22055	8.2
323.56342	1.4
400.79785	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	394.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
61.98701	100.0
62.98407	0.4
67.94877	0.4
68.43950	0.4
71.49430	0.7
71.89031	0.4
77.90178	0.3
78.95753	2.4
79.65861	0.4
97.02851	0.5
119.31301	0.4
262.11807	2.0
291.19754	0.9
294.18607	0.4
294.21667	1.6
309.20639	3.1
312.22751	1.6
325.10214	1.5
330.28384	0.4
331.18890	1.7
334.20917	2.9
342.46906	0.4
345.65347	0.4
394.18448	3.8
394.23090	0.6
395.18677	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	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08335	2.0
59.01249	31.1
61.98703	100.0
67.68971	1.7
69.69386	12.3
78.95780	2.9
100.69921	1.9
105.89997	1.8
128.88947	1.8
161.50929	2.0
166.82381	2.2
222.11398	3.3
374.23343	6.5
419.52353	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
56.85035	0.3
56.88047	0.3
57.03313	1.6
58.00468	3.4
59.01250	74.8
59.72251	0.3
60.01592	1.1
65.63254	0.3
69.03322	3.2
71.01253	70.3
71.50140	0.5
72.01603	1.2
72.99179	5.2
73.02824	9.3
75.00735	0.5
83.01263	3.4
85.02825	10.6
85.99967	1.2
87.00752	8.2
89.02318	100.0
90.02665	1.6
95.01265	1.1
96.95820	0.4
97.02831	2.0
97.06451	0.4
99.00774	1.6
101.02322	41.4
102.02644	0.8
102.05518	0.4
111.00761	1.4
113.02332	13.0
115.03915	0.4
119.03387	7.6
121.02841	0.5
125.02321	3.0
131.03397	44.5
132.03738	1.0
135.04399	0.4
136.05243	0.4
143.03375	1.2
148.01440	0.4
149.04459	56.6
150.04816	1.9
153.05400	0.3
161.04408	1.3
163.03897	1.1
179.05524	2.1
185.00826	1.1
191.05542	21.3
191.57170	0.3
192.05908	0.5
231.06535	0.4
233.06512	0.9
251.07639	0.7
261.13440	0.3
278.19830	0.3
283.23380	0.3
393.12659	0.3
393.17645	5.4
394.18051	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	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88760	1.1
54.59171	1.2
56.56234	1.2
57.03321	2.0
58.00461	1.8
59.01251	61.0
67.25976	1.2
69.03323	1.6
71.01250	28.8
71.49374	1.2
71.49818	1.5
72.99183	4.5
73.02820	2.9
85.02825	7.8
89.02318	25.1
95.01284	2.6
96.95897	1.3
99.00723	2.1
101.02313	16.5
113.02306	9.6
119.03395	10.5
131.03439	2.5
143.03374	1.5
147.03107	1.2
148.03981	1.7
149.04492	1.7
150.03131	1.9
151.11191	11.2
161.04477	2.5
162.05525	2.0
165.05432	2.1
169.12250	70.3
170.12540	2.9
179.05547	2.1
190.05037	3.9
213.11263	100.0
214.11630	5.5
231.12326	2.6
231.15915	3.3
267.84698	1.3
290.85101	1.2
332.18185	1.8
334.84967	1.4
341.33755	1.3
376.21289	2.7
393.17139	29.7
393.21408	7.1
394.17972	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.6
57.03330	4.1
58.00450	1.3
59.01249	66.8
60.01563	0.6
69.03323	1.1
69.26564	4.6
69.26982	1.5
71.01251	63.1
72.01584	0.7
72.99170	2.9
73.02818	15.1
75.00723	0.7
83.01250	9.9
84.01961	0.6
85.02818	24.2
87.00729	4.7
89.02316	12.4
89.25871	0.7
95.01248	4.3
96.95918	0.6
97.02830	1.7
98.20634	1.1
99.00747	6.8
101.02322	42.1
102.02663	0.8
111.00763	1.9
112.01601	0.7
113.01534	0.9
113.02328	19.4
115.03853	0.7
119.03393	3.3
124.01543	1.2
125.02348	3.1
127.11163	0.8
129.09088	1.5
130.08597	0.8
141.12773	0.7
143.03406	2.3
159.02902	4.6
161.04465	19.4
165.07875	0.7
169.12204	2.1
183.13811	0.7
187.13315	38.1
188.13646	2.3
199.13249	1.1
201.14832	1.4
227.12991	1.2
229.14445	1.5
264.70462	0.7
268.62634	0.7
313.96133	0.6
331.13629	1.0
331.17609	21.6
332.17947	1.7
339.31305	0.6
347.20740	8.9
348.21118	0.9
349.18655	58.0
350.19043	5.4
391.19699	100.0
392.20087	12.3
394.74826	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.1
58.15526	2.1
59.01251	71.5
61.98685	2.1
63.90954	2.1
69.03334	6.9
70.02946	6.4
71.01231	3.1
75.00741	2.4
93.03329	4.8
107.08547	2.6
111.08069	2.2
119.08559	17.1
123.08027	2.3
125.09579	6.5
127.11150	3.9
137.09631	47.3
138.10007	2.1
139.11169	7.5
147.08058	3.5
147.17471	1.9
151.11150	2.4
155.10648	5.3
161.04472	2.6
167.10617	4.1
171.10178	85.2
172.10558	2.8
179.10428	2.3
183.10228	4.6
185.11757	19.9
193.08382	18.5
197.11821	5.2
201.11223	6.6
207.09953	100.0
208.10280	4.6
213.11279	7.0
219.09920	8.3
245.19019	6.2
247.20615	2.4
253.09341	7.3
267.10620	3.2
273.18613	5.1
285.97522	2.8
291.19617	31.2
292.19901	4.6
295.16748	5.8
309.20691	80.5
310.21143	11.5
313.17822	92.0
314.18198	6.5
331.18497	5.1
373.18872	3.1
383.54343	2.2
387.02957	2.5
391.20847	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01585	1.4
60.43182	0.6
62.76653	0.5
65.63622	0.5
71.01254	1.7
71.49704	0.6
78.95785	0.9
96.95911	0.8
101.02322	1.2
115.05042	0.9
130.08508	0.6
152.99501	0.6
164.07156	1.0
174.05148	0.5
231.61301	0.6
275.09430	0.9
391.22635	1.3
392.16071	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03325	1.9
58.00467	1.2
59.01248	100.0
60.01589	1.1
69.03323	0.8
70.84375	0.7
71.01250	36.0
72.01612	0.3
72.99169	1.6
73.02814	15.8
74.03191	0.4
75.00764	0.7
79.95615	0.6
83.01257	6.3
85.02820	13.1
85.99984	0.4
87.00748	9.4
89.02318	11.2
95.01258	2.5
96.95873	0.5
97.02808	1.3
98.03662	0.3
99.00743	3.2
101.02319	26.7
102.02663	0.6
111.00760	8.2
113.02325	12.9
114.02686	0.4
115.07548	1.0
119.03383	3.8
121.02795	0.3
125.02377	1.0
127.11211	0.5
129.01851	1.0
131.03400	0.7
131.30986	0.3
141.01848	1.7
141.09105	21.4
141.76335	0.3
142.09485	0.9
143.03363	2.2
143.10680	4.2
149.04526	0.8
153.12801	0.8
155.03419	0.4
159.02887	2.4
161.04454	13.8
162.04846	0.5
167.10780	0.6
169.12325	0.5
171.13916	0.4
179.05573	1.0
185.11708	0.3
187.09660	0.8
187.13353	1.1
189.14914	1.1
197.11815	0.3
203.05586	1.4
205.03453	0.5
216.43784	0.3
221.11885	0.3
258.60248	0.3
259.15350	1.4
263.38235	0.3
271.15475	0.4
272.73508	0.3
279.70978	0.3
301.16592	1.4
331.17606	4.5
332.18152	0.5
349.18640	29.4
350.18976	3.5
391.19580	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39936	0.4
50.66789	0.4
59.01250	100.0
59.75484	0.5
60.01588	1.0
61.98734	0.4
71.01256	2.3
71.49483	0.7
73.02837	1.0
83.01303	0.4
85.02879	0.4
89.02322	0.9
96.95900	1.2
101.02347	1.8
111.00844	0.4
113.02340	0.8
115.18327	0.4
141.50963	0.4
161.04460	0.7
175.70094	0.4
200.66130	0.4
241.63129	0.4
254.32314	0.4
275.29092	0.4
299.95978	0.5
333.83679	0.5
349.18869	0.7
391.19751	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	391.1974
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01737	0.6
57.03319	1.1
58.00466	0.9
59.01249	38.2
60.01592	0.5
69.24497	4.9
71.01251	14.9
72.99177	1.4
73.02821	3.7
78.95786	0.6
83.01257	2.4
85.02820	5.9
87.00754	1.8
89.02309	8.8
95.01244	1.5
96.00822	0.7
97.02921	0.6
97.10983	0.6
98.02381	1.1
99.00745	1.4
101.02322	10.7
111.00739	0.6
113.02316	4.5
113.03429	1.2
119.03388	2.8
125.09641	1.1
127.11127	0.7
129.10207	0.6
130.08606	0.6
147.04393	1.3
161.04408	0.7
164.07066	2.1
165.10326	0.5
166.08661	1.8
181.40396	0.5
186.06790	3.2
211.13318	5.4
229.14397	17.9
230.14784	1.4
243.15973	0.6
277.15488	0.8
307.25516	0.5
313.15448	0.5
331.17621	0.5
357.14587	7.3
373.18704	2.1
374.17050	2.3
391.19714	100.0
392.20114	11.9
402.07254	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42378	0.4
55.01759	1.0
57.03329	1.5
58.00469	1.7
59.01250	100.0
60.01591	0.9
63.13378	0.4
70.01893	0.5
70.97309	0.5
71.01253	38.2
71.05067	1.2
72.01575	0.7
72.34111	0.5
72.99202	1.4
73.02822	15.4
74.44652	0.5
75.00767	0.8
80.10043	0.5
80.67295	0.5
83.01252	5.8
85.02823	12.9
85.03297	0.9
85.99966	0.5
87.00749	11.3
87.04405	0.5
89.02319	12.1
89.02832	0.8
89.31130	0.5
95.01284	2.6
96.95886	0.9
97.02840	1.3
99.00761	3.2
101.02321	29.2
102.02695	0.7
111.00787	1.7
113.02327	14.3
115.07549	1.0
119.03387	4.6
125.02338	1.9
129.01828	0.8
131.03426	1.3
141.09116	22.8
142.09497	0.8
143.03432	2.4
143.10681	3.3
153.12833	1.2
159.02916	1.8
161.04465	12.8
167.10721	1.3
169.12206	0.5
170.89911	0.5
171.13844	0.5
179.05569	1.2
185.11766	0.7
187.09714	0.8
187.13431	0.8
203.05569	0.8
211.13297	0.8
217.94687	0.5
259.15582	2.1
283.15491	0.6
297.57602	0.5
301.16623	0.9
331.17563	8.5
331.21317	0.6
332.17935	1.1
349.18649	33.0
350.19016	3.1
391.19827	3.9
391.27008	1.6
391.59766	0.6
393.61954	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91246	0.3
55.01747	0.3
56.79807	0.3
57.03325	0.7
58.00475	0.7
59.01251	100.0
60.01588	1.0
65.25613	0.3
66.72501	0.3
69.03345	0.6
71.01253	13.4
71.49301	0.5
72.01621	0.4
72.99191	1.0
73.02824	6.4
83.01259	2.8
85.02820	4.3
87.00787	0.6
87.04399	0.7
89.02316	10.1
89.38340	0.3
95.01282	0.8
95.10204	0.3
96.00812	0.3
96.95901	0.4
99.00776	0.9
101.02325	11.2
101.05959	0.9
102.02658	0.3
111.00787	0.5
113.02338	6.2
119.03396	3.9
125.02377	0.9
129.10181	0.4
130.08662	0.7
131.03377	0.7
133.72534	0.3
135.04391	0.4
139.61040	0.3
143.03383	1.5
147.04468	0.3
149.04460	0.8
156.54706	0.3
161.04448	2.6
163.03943	0.3
164.07095	0.7
179.05533	1.9
187.13287	2.5
207.06679	0.4
226.11900	0.8
240.96358	0.3
270.05493	0.3
305.35284	0.3
312.20096	0.3
313.07318	0.8
331.17584	1.8
343.11758	1.9
349.18652	5.4
350.19186	0.5
391.19696	0.8
392.21857	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76727	0.5
57.93881	0.5
59.01251	100.0
60.01593	1.8
66.28084	0.6
71.01254	5.0
71.03715	1.4
73.02848	0.8
76.22137	0.5
83.01287	0.6
85.02835	1.0
89.02312	4.9
96.95913	2.2
101.02345	3.9
113.02357	2.2
116.74115	0.6
119.03377	3.3
128.01849	0.6
130.08650	0.6
138.62529	0.6
145.06102	1.0
145.65588	0.6
161.04478	1.4
179.05534	1.4
211.13292	0.8
229.14427	3.5
230.15013	0.6
300.78418	0.6
331.17587	1.1
349.06018	0.6
374.86810	0.6
391.07248	1.3
391.19446	3.8
403.00311	0.7
414.64108	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81619	0.8
59.01251	100.0
60.01597	1.4
61.98684	3.3
65.68261	0.8
69.76308	2.8
69.76726	3.3
70.44197	0.9
71.01257	7.6
71.07013	0.9
71.07420	0.9
72.99152	1.4
73.02802	1.0
85.02811	3.1
89.02341	7.6
95.01260	1.3
101.02303	5.4
109.01573	1.4
113.02345	3.8
119.03376	5.0
130.08600	1.2
143.03392	1.3
161.04492	2.9
179.05507	1.5
192.02715	0.9
210.07698	1.8
211.13301	4.2
229.14423	16.8
272.25922	1.1
374.17090	1.2
382.51633	1.1
391.19745	37.2
391.24890	1.9
392.19971	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30593	0.5
59.01249	100.0
60.01600	1.3
70.64857	1.8
71.01260	2.1
78.95773	2.8
89.02326	1.1
96.95920	2.3
101.02356	1.7
102.98589	0.5
104.20943	0.6
112.23543	0.6
113.02338	0.9
161.04509	0.6
273.07544	0.6
349.73752	0.6
391.18210	1.0
391.22519	2.4
401.73495	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21622	0.4
57.03323	0.9
58.00471	1.0
59.01250	100.0
60.01586	1.7
69.03326	0.8
71.01252	22.6
71.04887	0.5
71.49905	0.9
72.99170	1.2
73.02816	10.4
83.01263	3.5
85.02823	6.0
87.00774	1.2
87.04394	1.6
89.02318	10.5
95.01289	1.4
99.00774	1.6
99.04444	0.5
101.02322	14.5
101.05981	0.7
102.02695	0.5
113.01537	0.8
113.02328	14.3
115.00279	1.0
119.03400	5.1
125.02361	0.9
129.10226	1.1
140.33864	0.4
143.03360	2.0
149.04520	0.4
161.04468	8.2
161.05702	0.8
164.07088	0.7
167.54167	0.4
174.85565	0.4
175.03975	0.7
178.77254	0.4
179.05548	0.9
185.11850	0.5
187.13322	13.6
188.13615	1.0
203.05647	0.5
204.25287	0.4
227.56898	0.5
274.71091	0.4
276.17328	0.6
277.15298	0.5
277.41663	0.4
331.17654	9.6
332.18079	1.3
349.18658	18.5
350.19049	2.6
376.27142	0.6
391.14740	0.6
391.19785	4.6
392.18549	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.98702	94.2
71.01257	15.4
73.02837	5.2
75.00749	4.3
85.02852	6.0
89.02303	6.5
96.95898	12.7
101.02329	8.0
105.95352	3.8
113.02342	6.5
113.71047	5.0
124.00806	4.1
229.18068	6.5
242.61644	3.9
272.34027	4.3
391.23349	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23184	0.4
52.62525	0.4
54.08036	0.4
54.55939	0.4
55.87253	0.4
57.03318	0.9
59.41566	0.4
60.21799	0.3
67.01749	3.3
70.10207	2.1
70.10493	0.7
85.02818	5.3
87.00755	3.7
87.92406	0.6
91.14076	0.4
111.00765	100.0
112.01110	3.6
129.01863	3.2
137.00410	0.6
154.99725	2.2
155.01477	1.0
173.00819	1.0
176.36696	0.5
182.26482	0.4
191.01888	3.9
191.05547	0.5
199.00606	0.5
217.01555	22.4
218.01903	0.5
233.39792	0.4
259.02649	0.6
270.91678	0.4
272.96301	0.4
354.19330	0.4
356.74933	0.5
373.02136	0.5
391.03201	58.5
392.03516	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	391.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01764	1.2
59.01002	1.4
59.01252	19.0
61.98687	1.5
71.01265	6.0
71.20391	2.3
73.02811	1.6
75.15900	1.3
82.96439	1.3
85.02810	5.5
89.02283	2.1
91.12766	1.2
93.03339	10.2
96.95886	2.7
107.04909	1.3
108.02044	9.3
109.02812	2.4
111.00770	1.3
111.04397	1.4
113.02318	1.9
121.02831	2.0
122.03609	1.3
123.04427	7.1
129.10152	2.0
132.21452	1.2
135.04398	19.2
136.05212	2.9
137.02357	2.7
138.03166	1.9
145.02771	1.4
146.06013	1.9
147.04393	2.2
149.02304	3.7
150.03120	5.1
161.02324	3.1
161.04395	1.8
161.44582	1.2
162.03127	1.6
163.03920	34.8
164.04707	34.3
165.05246	2.0
167.93427	1.3
173.02310	1.5
173.04381	3.1
175.03853	2.1
176.04681	6.2
177.05463	3.5
178.02654	2.2
178.06224	4.9
179.03461	2.2
179.07025	5.3
185.08101	1.1
191.03490	8.4
191.05533	58.4
191.07054	2.2
192.04179	16.9
192.05847	3.9
193.06027	2.1
196.03703	4.9
204.04179	5.0
206.05759	2.8
207.06561	72.8
208.06934	3.4
210.05278	7.8
219.06558	11.0
237.07623	2.2
239.03391	1.4
240.04256	7.6
241.04921	2.7
252.04323	1.2
254.05760	2.5
255.03088	2.3
255.06607	2.3
257.04654	1.8
266.05972	1.7
267.06531	6.3
269.04724	2.3
269.08032	2.7
270.05264	5.4
270.08081	1.5
276.17120	2.4
283.06046	4.5
285.07642	2.4
295.06061	13.4
296.06424	1.7
298.04739	5.5
298.08411	7.6
299.09091	3.6
300.09924	2.7
305.80045	1.4
310.08481	7.4
311.08176	1.4
313.07132	14.1
313.10831	10.5
314.07465	2.2
317.95215	1.4
325.10831	11.5
326.11240	1.7
328.09442	11.2
329.09735	1.7
343.11856	100.0
344.12192	13.8
353.08762	14.0
361.12762	3.5
373.12805	4.5
391.06094	3.3
391.14233	2.1
391.19217	5.1
392.11008	1.3
392.17435	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.49722	7.2
60.55891	6.0
62.45633	6.5
65.79408	8.3
70.07563	29.1
113.83406	7.4
120.25191	6.9
134.03387	6.6
221.63594	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
65.06964	4.9
70.65286	16.6
73.68556	4.9
86.65456	4.4
96.37714	5.8
127.10017	5.4
155.67357	5.2
204.37971	5.9
205.44247	4.9
263.44141	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	389.2182
Annotation	Sedumoside C
Peak:m/z	Relative Intensity
55.11240	0.9
59.00961	1.1
59.01249	17.6
59.52652	0.8
61.98720	1.5
67.40126	0.8
71.01249	13.3
72.99180	1.6
73.02821	2.9
82.24897	1.0
83.01270	3.4
85.02841	5.3
87.00745	1.9
89.02289	1.6
93.57059	0.9
96.95865	1.0
98.20535	1.5
101.02328	7.3
113.02335	4.2
119.03306	0.7
125.02318	1.1
133.69565	0.9
147.83995	0.9
152.12157	0.8
161.04463	1.1
181.15921	1.3
218.08101	1.3
218.61578	0.8
219.83578	0.9
227.16481	20.1
228.16881	2.1
246.80768	1.0
286.47919	0.9
340.33594	1.2
371.20624	3.7
389.21747	100.0
390.22195	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	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
69.80936	23.4
70.72731	23.7
71.50399	32.2
77.74432	24.3
84.83191	22.3
89.69737	27.3
159.34384	25.7
167.34898	28.3
285.90955	26.4
347.67203	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
58.00480	2.1
59.01248	42.5
59.36006	0.5
61.98717	1.8
62.02644	0.6
69.03321	0.6
70.63267	0.9
70.63605	1.3
71.01268	2.1
71.12701	0.6
73.02812	5.5
74.02359	1.0
78.84174	0.7
78.95815	0.6
83.04911	0.9
85.02849	1.2
89.72439	0.6
96.95907	1.6
97.06465	0.7
100.03880	0.7
101.02383	0.6
111.08071	2.0
113.02334	0.7
113.09599	1.4
114.05495	0.8
114.47684	0.7
114.97466	0.5
117.45566	0.7
123.08083	2.0
125.09595	9.5
127.11177	7.2
137.09628	1.2
141.09111	4.2
151.07570	1.0
153.09120	2.9
155.10693	5.8
157.12248	14.1
159.97458	1.0
167.10764	1.1
171.13858	0.8
183.13980	0.6
185.06085	1.3
185.11703	1.2
186.12566	1.6
187.13333	12.4
201.14874	0.7
226.36253	0.6
237.04378	2.5
247.20592	0.7
251.20010	0.7
253.21649	0.7
263.19989	0.9
281.21143	3.7
283.22733	7.2
285.24326	5.8
299.22412	0.9
301.23813	2.6
329.23306	25.5
330.23529	1.7
347.24365	100.0
348.24686	10.8
389.25430	51.0
390.25281	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39684	0.5
54.46444	0.5
55.01745	0.8
57.03342	0.6
58.00458	1.6
59.01252	43.2
60.01577	0.9
61.49661	0.5
63.03930	0.5
66.39715	0.5
69.51869	0.8
69.52216	4.2
71.01255	25.6
72.99181	3.3
73.02826	1.2
82.69921	0.6
83.01253	2.0
84.43556	0.5
85.02821	5.8
85.63716	0.5
87.00733	1.1
89.02317	22.7
93.97239	0.5
95.01263	2.0
98.19736	0.6
99.00787	1.0
101.02323	17.0
102.02656	0.6
113.02323	8.2
115.00266	0.6
118.74902	0.5
119.03395	9.1
120.04415	0.7
121.42706	0.5
131.03362	0.6
134.03635	0.9
139.03871	1.4
143.03450	0.6
149.04422	0.9
150.03070	0.9
154.06288	2.2
155.01993	0.5
161.04440	1.2
165.05469	1.1
193.04984	1.3
209.11774	16.5
210.12073	1.4
225.95215	0.7
227.12914	0.6
361.18463	1.1
389.18146	100.0
390.18414	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
56.42226	0.5
57.03321	1.4
59.01247	28.1
62.26088	0.5
69.03311	0.7
69.28493	5.7
71.01251	6.3
72.99165	0.7
73.02818	1.4
79.95667	0.7
83.01239	0.8
85.02823	3.2
85.18522	0.7
89.02296	3.8
91.85358	0.6
94.94648	0.7
96.95889	1.2
98.19761	0.9
101.02316	2.1
111.08021	1.2
112.91390	0.5
113.02322	3.5
119.03412	1.2
165.12758	20.9
166.13092	1.4
183.13829	75.5
184.14163	5.1
189.29782	0.7
191.10866	0.7
197.15388	1.9
207.13815	1.8
209.11749	2.3
225.14902	1.9
226.69925	0.6
227.12836	100.0
228.13196	8.3
251.12810	4.1
263.85364	0.6
269.14050	1.3
293.13840	0.7
350.06601	0.6
355.28259	0.5
389.17990	2.1
389.25613	3.0
390.18930	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	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
57.03317	2.1
58.00462	2.3
59.01249	100.0
60.01581	1.8
67.84206	1.3
69.38779	10.1
71.01252	52.6
72.99178	6.9
73.02801	6.7
74.59058	1.1
75.00744	4.4
77.47665	1.2
79.56594	1.1
83.01259	2.8
83.04900	1.7
85.02822	15.8
87.00755	5.7
89.02313	44.7
90.02646	1.5
95.01263	5.5
95.04931	2.2
99.00749	3.2
101.01705	2.5
101.02320	30.8
113.02326	22.6
115.11416	1.2
119.03393	24.4
121.02856	1.4
125.02376	1.3
130.08638	1.3
131.03444	1.9
134.03633	8.8
137.02347	1.7
139.03899	2.3
139.07544	19.2
140.46648	1.2
143.03397	4.1
148.03932	1.4
149.02324	3.8
149.05994	1.6
150.03139	9.4
151.03908	2.3
161.04488	3.4
165.05466	11.2
178.02640	4.5
179.05490	3.7
180.06580	1.4
185.11786	1.6
193.05013	16.0
194.05421	1.7
195.06546	4.8
196.06255	1.3
198.58316	1.3
205.08670	1.7
209.11804	4.0
227.12854	4.0
228.91090	1.4
249.06148	4.1
313.11743	1.5
319.10104	1.8
329.16000	1.6
347.17157	2.3
357.11237	1.3
389.14609	8.2
389.18439	54.0
389.25867	3.8
390.19055	6.1
390.23730	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01747	1.5
57.03324	2.1
58.00463	0.9
59.01252	52.6
69.03323	1.8
71.01253	28.5
71.49363	1.4
72.99192	2.1
73.02821	10.1
83.01257	4.1
85.02826	11.3
85.99908	1.0
87.00740	4.3
89.02318	5.8
95.01270	2.3
97.02804	1.8
99.00751	3.7
101.02325	16.0
107.84438	0.8
113.02350	7.6
119.03364	1.7
124.01579	1.2
125.02351	1.3
129.10179	1.2
130.08653	1.3
141.09074	1.9
143.03403	1.4
148.05061	0.8
161.04491	3.3
164.07054	2.2
167.10667	5.7
185.11748	23.6
186.12172	1.3
199.13210	1.0
209.11607	0.9
227.12875	1.5
303.18015	1.9
329.15997	19.6
330.16245	2.1
347.17114	49.2
348.17273	4.3
374.12213	1.1
389.18179	100.0
390.18613	11.9
390.24039	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	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09383	45.0
58.12160	43.9
59.01245	96.6
60.61822	57.8
67.19119	44.0
71.01239	75.3
72.84886	52.3
78.69162	43.3
87.73267	49.8
89.02330	57.7
98.20589	100.0
101.02338	59.7
171.89940	52.2
225.14825	79.8
228.55135	50.0
238.36533	46.4
241.51479	52.8
255.95717	59.2
266.55542	48.1
278.88654	56.6
288.95630	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03389	6.5
59.01250	25.6
61.98702	100.0
64.93153	5.5
69.64185	15.6
69.64606	21.1
74.02343	50.2
91.47328	5.4
96.95899	13.9
98.02352	15.9
98.20548	9.1
99.66458	5.4
101.02287	5.3
108.19483	5.0
116.03416	35.3
137.21797	5.6
147.03191	8.2
208.03413	5.9
261.26645	5.7
262.22232	5.9
266.31525	6.0
341.44504	6.6
388.26797	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63419	3.7
59.01248	21.8
61.98701	100.0
64.16996	3.9
66.86061	4.7
70.44604	8.6
71.01276	6.5
71.54945	4.0
78.95754	6.0
96.95897	5.8
135.12119	4.7
143.47737	4.1
207.94759	4.0
278.03201	4.9
341.50436	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	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01762	0.9
57.03313	0.6
59.01250	62.6
60.01551	0.7
67.01767	1.0
69.03328	0.9
70.27120	1.8
71.01247	11.5
72.99184	0.9
73.02816	3.1
83.01254	1.8
85.02818	8.7
86.03161	0.6
87.00746	2.5
89.02319	5.7
93.03346	6.3
95.01249	0.9
99.00759	1.6
101.02326	10.8
111.04391	0.7
113.02318	4.8
119.03384	2.3
121.10139	0.6
128.03401	0.7
129.01770	0.7
134.03651	0.6
135.04424	6.1
137.02335	0.7
161.02330	1.1
161.04453	1.5
165.05527	0.8
167.10576	0.6
173.04453	5.5
179.03401	2.1
191.05537	35.4
192.05916	1.9
193.04950	1.1
195.06554	0.7
209.11685	0.8
227.12820	1.0
292.78424	0.6
292.81824	0.6
321.43555	0.6
329.15906	1.2
332.33856	0.6
344.95889	0.5
353.08759	14.2
354.09055	1.6
371.16806	0.9
373.13678	0.7
389.18158	100.0
390.18512	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25670	19.1
59.01249	64.1
69.80276	100.0
71.01250	30.9
98.19878	31.7
101.02338	35.8
113.02311	25.0
156.40793	20.1
192.24461	18.6
225.14934	23.4
254.17343	20.6
269.74057	18.8
289.96521	24.3
295.84146	22.5
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
55.01743	0.8
57.03307	1.5
58.00460	2.2
59.01251	37.9
66.35924	0.6
69.46835	4.4
71.01251	20.4
72.99178	1.8
73.02811	1.0
77.76263	0.6
83.01269	1.3
85.02818	4.5
87.00723	1.2
89.02319	15.3
92.02485	0.6
95.01235	1.7
98.19806	1.3
98.66541	0.6
101.01714	1.1
101.02327	13.2
110.45628	0.7
113.02312	6.7
114.28602	0.7
115.00211	1.1
119.03381	5.6
125.05969	4.6
139.03929	3.3
139.07536	1.0
154.06279	5.0
155.07027	2.9
171.23880	0.7
179.10716	1.0
207.10208	10.6
208.10464	0.7
208.32372	0.6
209.09993	1.0
209.11766	27.3
210.12068	2.1
225.11235	4.6
228.69313	0.6
235.43451	0.6
311.10464	0.9
336.78439	0.7
387.16599	100.0
388.16931	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	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.68843	0.4
55.01766	2.2
57.03323	2.6
58.00469	1.3
59.01252	100.0
60.01298	0.3
60.01572	2.0
61.01678	0.6
61.34999	0.4
69.03327	1.3
71.01253	37.3
71.20255	0.8
71.84978	0.4
72.01598	0.4
72.99176	2.0
73.02818	20.0
73.19289	0.4
74.02335	0.4
75.00753	0.6
80.13650	0.4
81.03346	0.5
83.01257	8.9
85.02825	14.5
85.99994	0.4
87.00751	2.3
89.02320	13.9
90.36655	0.4
95.01256	2.3
96.95882	0.5
97.02850	1.1
99.00767	3.5
99.04433	0.5
101.02325	30.3
102.02660	0.6
111.00789	0.5
113.02332	13.7
113.03080	0.9
119.03397	5.3
121.10134	4.9
125.02354	1.1
127.05135	0.5
129.01793	0.6
130.08635	0.9
131.03392	1.1
134.03645	0.9
135.04401	0.5
139.11208	0.8
143.03366	1.8
149.04471	1.0
149.05923	0.5
151.11172	0.5
152.01096	0.5
159.02884	1.0
161.04459	7.4
164.03404	0.7
165.09137	0.8
166.02638	0.5
167.10794	0.6
178.05110	0.7
179.05557	1.1
183.10208	1.1
205.03468	0.5
207.10219	1.3
228.85422	0.5
301.16547	9.3
302.16870	0.7
311.10437	0.8
327.14487	5.0
328.14856	0.6
345.15509	9.3
346.15930	0.6
370.13013	1.5
387.16602	50.8
388.17297	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
58.00462	0.7
59.01250	58.7
60.01575	0.8
69.01041	0.5
71.01254	10.6
72.99178	1.5
83.01250	0.8
85.02808	2.3
87.00774	0.6
89.02317	15.1
95.01259	1.3
101.01701	1.0
101.02323	10.5
101.02943	1.0
113.02337	5.3
119.03388	5.6
161.04443	0.7
163.11214	5.5
207.10197	14.6
208.10573	1.5
276.55969	0.6
309.09723	0.6
350.32990	0.6
354.92868	0.6
387.16599	100.0
388.16931	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02442	0.3
55.01754	0.8
57.03318	0.6
58.00465	1.8
59.01247	100.0
60.01579	1.1
60.01875	0.3
69.03339	0.5
69.66383	1.9
71.01250	22.4
72.99184	3.0
73.02824	1.5
75.03298	0.3
80.55306	0.3
83.01241	1.8
85.02817	5.6
85.44630	0.3
87.00769	0.8
88.08401	0.3
89.02310	21.6
90.02666	0.5
93.03342	0.8
95.01266	1.7
95.04917	1.1
97.02844	0.8
99.00777	0.9
101.02316	13.6
108.02067	0.8
109.06448	0.7
113.02319	9.2
113.03078	0.6
119.03387	10.7
123.04398	0.6
125.02294	0.4
131.03400	0.8
136.01553	0.7
143.03366	1.1
147.08055	0.5
149.04440	0.4
151.03906	1.0
159.02933	0.3
161.04478	2.0
163.11183	16.2
164.11488	0.8
179.05518	1.1
189.12766	1.1
191.05562	1.3
207.10190	5.0
225.11333	1.2
225.14937	0.7
262.47656	0.3
387.16565	91.6
388.16940	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38692	1.1
55.01746	3.0
57.03299	2.1
58.00460	2.6
59.01248	100.0
60.27045	1.2
61.07783	1.4
61.98702	2.8
62.02781	1.6
67.14574	1.2
67.66110	1.2
69.03317	1.6
69.26329	13.6
71.01252	58.2
72.99165	4.8
73.02816	32.9
83.01244	13.3
85.02805	11.5
87.00746	4.1
89.02309	24.4
94.35356	1.2
95.01254	3.1
96.95878	3.0
97.02863	1.6
99.00751	2.8
99.04385	1.9
101.02319	50.7
108.02091	1.6
113.02337	16.9
119.03396	9.2
121.10122	3.2
125.02296	2.5
126.23335	1.3
131.03371	2.0
134.05988	2.3
136.01570	7.4
137.02286	2.0
138.52562	1.4
143.03397	3.2
149.02280	1.4
151.00302	1.5
151.03925	8.1
161.04475	6.8
161.05727	1.2
162.03102	2.0
162.05434	4.8
165.09109	18.2
166.02606	4.0
174.55013	1.5
179.03391	4.5
179.05534	2.2
180.06551	1.5
181.05011	6.7
183.10095	2.6
225.08760	1.5
267.11270	1.7
281.05603	1.8
281.34875	1.5
311.10443	6.8
327.14438	9.9
328.14713	2.4
341.77948	1.4
345.15509	23.0
346.16116	1.7
355.09253	3.1
357.09842	2.9
372.12073	3.6
387.12213	5.2
387.16510	94.4
388.17044	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	387.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74577	0.7
55.01745	1.0
58.00461	0.7
59.01249	100.0
60.01592	0.7
64.75665	0.5
69.10683	0.5
71.01250	7.3
72.99187	0.8
73.02827	1.5
83.01263	1.2
84.14198	0.6
85.02846	2.4
89.02313	3.5
96.95916	1.2
98.19833	2.4
101.02321	4.4
102.05540	0.7
108.02047	5.8
109.06499	0.7
113.02327	3.6
119.03414	1.7
119.25420	0.7
123.04400	4.0
123.05183	0.6
128.03407	4.4
130.08630	1.2
153.01822	1.1
161.04488	1.9
163.11259	1.3
207.10152	1.3
209.69983	0.6
217.10768	0.9
225.15019	0.6
229.88054	0.8
240.55771	0.6
357.21454	0.9
358.62180	0.6
387.16577	10.2
387.21344	1.1
388.16757	2.4
399.51187	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	387.156
Annotation	GS-3
Peak:m/z	Relative Intensity
58.18301	0.4
59.01248	4.3
59.59585	0.4
69.44185	1.8
69.44611	1.9
71.01259	0.8
73.25508	0.5
74.11586	0.4
80.26050	0.4
85.02825	0.6
89.02296	0.7
94.06499	2.0
96.95890	1.6
101.02349	0.6
106.06524	0.6
107.03651	10.0
117.46745	0.5
120.04433	0.9
121.05218	0.8
122.06002	46.5
123.06365	1.4
130.02872	3.6
131.03645	3.4
132.04440	8.4
134.06012	1.8
139.02626	3.3
146.05998	2.7
147.03157	1.1
148.03934	2.4
150.05508	0.7
152.07077	100.0
153.04410	0.4
153.07381	3.6
158.02383	11.8
159.02872	0.6
160.03941	1.5
162.05519	5.8
164.07083	1.2
166.05064	0.5
175.02707	0.5
176.03468	2.6
190.05019	46.2
191.05362	2.6
192.06532	0.8
202.04948	0.6
222.07657	41.4
223.07996	2.0
225.14790	0.5
234.07701	1.8
249.06888	0.6
265.09781	0.8
293.09302	0.5
294.09976	0.5
296.11813	0.6
327.14053	0.5
355.12967	4.6
356.13504	0.6
359.16214	1.7
387.15622	84.1
388.15906	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	385.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51841	0.9
56.51522	0.7
57.86167	0.8
59.01253	4.9
61.98701	100.0
67.02487	0.9
70.62012	2.8
70.62376	1.0
71.01250	1.2
73.28737	0.8
105.70293	0.8
130.08629	4.2
154.32303	1.0
160.97595	0.9
322.20218	1.6
338.79068	0.9
385.17450	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	386.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95318	1.2
66.82139	1.2
68.99678	2.2
70.49325	1.2
70.71907	1.4
70.72256	4.0
71.01257	8.5
72.99181	47.9
72.99590	2.4
76.59366	1.5
78.46781	1.3
82.85398	1.4
90.52872	1.4
108.04439	49.2
109.04768	2.0
109.26536	1.2
118.02882	44.4
119.03194	1.4
120.04424	4.5
134.02382	16.1
134.06029	4.5
136.03918	1.7
144.04456	49.8
145.04843	2.8
150.05504	6.0
151.14099	1.3
162.05524	60.3
163.05899	2.0
164.03455	11.1
178.05049	3.7
188.03464	100.0
189.03801	4.7
206.04526	24.9
207.05093	1.8
224.05614	16.2
293.42831	1.3
350.08792	1.4
368.09827	1.9
386.10947	78.7
387.11539	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	385.1869
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
55.01752	2.8
57.03316	4.0
58.00462	2.4
59.01249	56.7
66.53168	0.8
67.92026	0.8
69.03313	1.7
70.08683	0.7
70.09004	3.2
71.01250	75.7
72.01573	1.3
72.99189	5.1
73.02816	11.8
75.00734	1.4
76.02110	0.7
83.01266	5.0
83.04897	1.2
83.48184	0.8
85.02826	22.4
87.00751	4.6
89.02314	36.2
95.01275	5.2
95.04886	1.9
97.02816	6.3
99.00747	6.5
101.02322	34.7
105.06964	1.1
107.04886	1.7
108.05688	1.1
109.02839	1.3
109.06475	1.7
111.04443	1.2
113.02326	27.3
113.05967	3.7
115.00259	1.1
119.03394	11.3
121.02808	3.8
122.03586	2.7
123.08036	4.5
125.02336	0.9
125.05959	3.0
129.01823	0.9
130.08646	0.9
131.03389	1.4
135.07993	1.1
136.05171	3.5
137.02263	0.9
137.05994	2.3
138.06764	23.8
139.07559	11.8
143.03372	2.3
149.02316	2.7
149.05959	1.6
151.06371	1.4
151.07556	25.2
152.04654	2.8
152.08339	45.4
153.01839	1.2
153.09120	100.0
154.09483	5.2
159.02910	4.2
161.04468	18.5
163.11189	3.3
164.04637	1.9
165.09084	2.1
167.07060	3.6
175.00230	2.5
176.64551	0.8
178.08777	0.7
179.05493	2.2
179.07045	1.1
187.11194	1.7
189.02037	0.8
189.09085	1.2
190.02652	6.6
190.09935	2.0
191.05544	1.0
205.05003	9.1
205.10324	1.8
205.12274	33.8
206.12541	2.6
223.06035	3.4
223.13318	17.0
224.13757	1.0
227.90530	0.8
232.03763	1.1
247.06039	3.5
265.07013	1.3
295.08316	0.8
336.64188	0.8
385.11172	2.3
385.18857	5.3
385.23279	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.2
58.00464	6.2
59.01249	100.0
60.01586	1.8
60.99123	1.4
65.03833	1.5
69.03303	1.9
71.01252	68.4
71.49566	2.0
71.49926	2.4
72.99182	5.5
77.15359	1.4
83.01271	3.0
84.78963	1.5
85.02818	12.7
87.00767	3.8
89.02316	83.5
90.02640	1.8
95.01248	4.8
96.95885	4.5
99.04396	5.5
101.02318	39.3
101.04278	1.6
109.33527	1.5
113.02332	26.2
119.03388	35.8
131.03409	3.6
143.03401	3.7
145.96072	1.6
149.04451	3.0
160.48291	1.3
161.04446	4.7
161.13222	4.3
171.10188	6.4
172.10547	2.0
177.45926	1.5
179.05569	8.0
201.11243	2.0
205.12277	53.4
206.12636	3.6
211.13310	5.6
229.14441	3.6
233.11615	4.4
326.70132	1.8
327.21799	13.8
328.22281	1.5
349.19858	6.9
385.12210	3.5
385.17563	16.9
385.23758	8.0
386.17371	2.3
386.21918	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	385.1867
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
51.27392	0.5
55.01738	1.1
57.03320	4.9
58.00471	1.0
59.01251	39.4
59.45156	0.7
60.01557	0.5
63.21845	0.6
69.03326	2.7
69.46349	3.6
71.01253	14.0
72.99173	2.9
73.02825	6.2
81.03317	2.0
83.01249	2.3
83.04920	1.2
84.02043	0.8
85.02822	13.9
85.99962	2.4
86.55903	0.6
87.00747	1.1
88.67257	0.7
89.02319	8.0
96.95895	1.3
97.02866	1.0
99.00761	1.5
99.04403	0.9
101.02322	6.8
103.03892	3.1
109.02831	1.4
113.02332	1.6
119.03378	2.8
123.08053	3.8
125.09566	0.7
127.03957	0.9
128.65825	0.7
141.01546	2.3
145.50859	0.7
151.11160	1.0
152.99590	0.6
174.01628	0.9
177.12773	4.1
179.10654	1.0
185.00790	1.4
191.37009	0.7
195.13835	8.0
205.12184	0.7
219.13751	0.8
221.11786	3.5
223.09813	1.0
250.11076	0.6
265.14697	0.9
283.01456	0.7
292.77908	0.6
335.92816	0.7
385.18677	100.0
386.19003	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	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.2
58.00464	6.2
59.01249	100.0
60.01586	1.8
60.99123	1.4
65.03833	1.5
69.03303	1.9
71.01252	68.4
71.49566	2.0
71.49926	2.4
72.99182	5.5
77.15359	1.4
83.01271	3.0
84.78963	1.5
85.02818	12.7
87.00767	3.8
89.02316	83.5
90.02640	1.8
95.01248	4.8
96.95885	4.5
99.04396	5.5
101.02318	39.3
101.04278	1.6
109.33527	1.5
113.02332	26.2
119.03388	35.8
131.03409	3.6
143.03401	3.7
145.96072	1.6
149.04451	3.0
160.48291	1.3
161.04446	4.7
161.13222	4.3
171.10188	6.4
172.10547	2.0
177.45926	1.5
179.05569	8.0
201.11243	2.0
205.12277	53.4
206.12636	3.6
211.13310	5.6
229.14441	3.6
233.11615	4.4
326.70132	1.8
327.21799	13.8
328.22281	1.5
349.19858	6.9
385.12210	3.5
385.17563	16.9
385.23758	8.0
386.17371	2.3
386.21918	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
58.00452	1.2
59.01250	100.0
69.03324	15.4
71.01249	14.8
71.49298	1.0
72.99194	2.0
78.76320	0.7
79.14085	0.8
85.02827	4.2
87.00802	0.9
89.02318	16.2
93.94361	0.8
95.01289	1.5
96.95895	1.2
97.02843	3.3
99.00730	3.9
99.04410	1.9
101.02319	7.8
101.02833	0.7
113.02339	6.1
119.03399	6.4
135.04416	0.9
135.11732	1.2
141.01807	1.1
142.67422	0.8
144.07678	1.1
159.11719	0.9
161.09659	1.9
161.13243	1.1
174.01672	1.5
179.05606	1.6
179.10666	7.6
185.00807	7.6
203.10718	1.8
205.12244	8.1
206.12589	0.9
223.09726	2.3
269.12439	0.7
312.12534	1.3
342.28491	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12472	0.9
55.01751	1.3
59.01250	100.0
62.43872	1.1
69.03319	20.7
71.01254	15.4
71.50201	1.1
72.99186	2.3
73.02800	1.0
85.02831	3.0
89.02312	16.2
92.14485	1.0
95.01280	1.1
96.95913	2.4
97.02824	4.4
99.00765	5.3
101.02331	8.9
113.02335	8.1
119.03392	8.1
121.02856	1.6
133.52159	0.9
133.66994	1.0
135.11674	1.3
141.01839	2.2
141.17519	1.0
144.07655	1.9
146.07207	0.9
153.44872	0.9
155.10742	1.5
161.09644	1.7
161.13234	1.8
174.01590	2.8
179.05565	2.0
179.10690	10.6
185.00832	11.9
203.10727	1.7
205.12305	9.5
223.09737	4.8
223.13348	1.6
224.10010	1.5
289.67010	1.1
312.12418	1.2
319.65237	1.0
344.62393	1.0
356.42368	1.0
365.12308	0.9
376.63467	1.0
385.10922	1.8
385.23642	0.9
409.15417	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	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11552	0.4
52.08493	0.4
55.71286	0.4
56.31710	0.5
58.00444	0.5
59.01252	100.0
60.01579	1.1
69.03329	3.5
71.01263	2.5
71.44739	0.7
73.02843	0.9
74.02354	0.5
77.11940	0.6
80.08675	0.4
85.02842	1.1
87.00768	0.6
89.02321	2.3
96.95910	0.8
97.02834	2.5
99.00767	1.0
101.02343	1.4
113.02314	0.7
114.88699	0.5
119.03416	0.8
121.02839	0.4
130.08629	0.7
141.01836	2.1
161.02368	0.6
163.69058	0.5
179.10791	0.7
185.00909	0.9
199.13297	1.4
203.02000	1.4
244.21227	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.3
59.01248	100.0
60.01592	1.0
60.39342	0.3
64.06941	0.3
69.03323	9.4
71.01252	0.8
71.36252	0.6
73.02821	0.7
85.02840	0.4
89.02347	0.5
95.01225	0.4
97.02821	1.9
99.00745	2.9
101.02348	0.6
113.02271	0.4
134.03659	0.6
141.01871	1.1
149.06023	0.8
155.10693	0.7
160.63931	0.3
161.02397	0.3
162.43887	0.3
170.84550	0.3
172.83435	0.3
185.00861	5.5
243.77380	0.3
249.95419	0.3
354.55356	0.4
385.11166	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65490	0.6
59.01249	100.0
60.01573	0.7
66.43663	0.5
70.45994	1.3
70.46317	0.8
71.01248	6.9
73.02813	0.8
77.94483	0.6
83.01243	0.6
85.02832	2.2
85.42918	0.6
89.02363	0.8
96.95922	0.8
99.00774	1.2
101.02333	4.1
112.43021	0.7
113.02322	3.8
131.66144	0.6
132.19829	0.6
143.03461	0.6
148.05194	10.1
152.72821	0.6
159.02899	0.9
161.04446	7.4
163.07556	8.8
164.07945	1.1
174.01685	1.6
211.13409	0.7
223.13380	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44340	0.4
57.61166	0.4
59.01250	100.0
60.01586	1.3
69.91891	1.2
69.92303	0.8
71.01247	5.4
73.02818	2.1
76.60963	0.4
76.65074	0.3
78.86044	0.4
83.01268	0.6
83.09788	0.4
85.02815	2.1
97.02848	0.6
99.00759	0.8
101.02317	3.2
113.02331	2.8
125.02386	0.4
137.14621	0.4
143.03430	0.6
148.05206	12.6
149.05566	0.5
159.02917	0.9
161.04463	7.1
163.07556	8.3
164.07854	0.6
176.87769	0.4
217.58746	0.5
281.08145	0.5
327.53772	0.5
343.21585	0.8
385.09628	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	51.9
63.76397	6.6
70.37933	15.9
70.38332	12.4
71.01247	20.5
75.65827	6.7
85.02798	10.9
89.02332	11.5
90.48807	6.3
90.59835	6.4
96.95874	20.5
113.02330	11.1
115.00137	9.1
115.79377	7.1
149.02356	49.7
163.03926	14.7
164.04695	50.3
174.01624	32.6
175.00291	34.9
175.78319	7.6
177.05507	9.3
179.07051	23.2
189.01910	10.3
190.02654	93.7
191.03317	9.9
193.01442	10.5
205.04993	79.3
206.05658	20.0
217.01282	10.0
221.08119	14.6
223.06104	56.7
224.06535	10.6
225.87213	7.0
232.03731	33.1
247.06108	100.0
250.05235	6.9
265.07211	18.9
385.11539	45.3
386.11484	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
57.03321	3.4
58.00456	0.5
58.19631	0.6
59.01248	19.8
65.76672	0.6
67.01772	1.2
68.99683	1.9
69.03325	2.0
69.16658	1.9
69.17070	4.3
71.01250	26.3
72.99182	5.7
73.02825	2.3
75.00742	19.7
79.11691	0.5
82.93286	0.6
83.01270	1.9
84.02044	0.6
85.02822	24.9
87.00742	9.4
88.26388	0.5
89.02312	8.8
91.03896	1.0
91.05405	9.5
92.05762	0.7
93.03336	0.9
95.01260	5.7
99.00756	9.9
101.02310	1.6
103.00246	2.5
111.00755	1.3
113.02329	37.0
114.02654	1.2
115.00248	1.8
117.01819	3.3
117.03327	4.5
121.02802	0.7
129.01843	2.4
130.08621	1.2
135.03433	1.0
135.04410	12.0
149.02374	0.6
150.61182	0.5
152.01085	1.4
157.01303	0.9
175.02405	2.6
189.04024	0.9
205.07133	1.5
207.04900	1.1
223.08195	0.6
231.05098	1.6
249.06116	37.4
250.06490	1.7
267.07190	100.0
268.07535	4.3
367.10318	0.8
385.11365	31.5
385.24658	1.9
386.11673	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21862	0.5
55.01752	1.3
57.03310	2.5
58.00472	1.3
59.01252	36.3
59.76909	0.5
60.41346	0.5
67.01751	0.7
69.03305	1.2
71.01254	37.5
71.31386	1.2
72.01565	0.8
72.99175	3.9
73.02823	5.0
75.36915	0.6
83.01258	2.8
85.02820	13.1
87.00744	1.4
88.03886	0.8
89.02320	19.6
91.01774	1.3
93.03328	1.1
94.86417	0.5
95.01254	2.6
97.02803	2.6
99.00748	2.4
101.02327	16.8
102.02735	0.6
108.05658	0.9
111.04367	0.7
113.02338	14.1
113.05962	1.8
113.80517	0.6
119.01288	4.7
119.03384	5.7
121.02837	5.7
121.97340	0.6
122.03616	0.9
123.08037	2.0
125.05984	0.8
129.14638	0.6
135.04390	1.0
136.05199	2.3
137.05980	1.0
137.57083	0.6
138.06761	9.3
139.07561	5.0
140.87634	0.5
143.03445	1.0
144.63512	0.6
147.00793	3.7
149.02356	10.2
149.04373	0.7
150.46338	0.6
151.07536	9.3
152.04680	0.9
152.08334	19.0
153.09125	38.4
154.09427	1.3
159.02914	1.6
161.02364	1.1
161.04475	7.7
162.03133	0.8
163.03903	1.9
163.11180	1.5
164.04709	9.6
165.01794	1.5
165.05331	0.6
165.09177	0.9
167.07207	1.0
175.00285	32.8
176.00703	1.5
177.01772	0.6
177.05515	1.1
179.05676	1.1
179.07060	3.4
187.11169	1.0
189.01894	1.8
190.02643	75.7
190.09924	0.8
191.03154	5.2
191.05534	0.9
204.04170	1.1
205.05005	100.0
205.12300	14.2
206.05437	8.6
207.03027	0.6
208.03760	1.1
217.01328	2.1
221.08127	3.8
223.06081	19.0
223.13348	4.9
224.06371	0.7
232.03795	3.1
237.07820	0.7
247.06093	14.1
265.07236	6.5
266.07687	0.6
295.08191	0.9
325.09244	2.1
385.11362	5.5
385.18658	3.0
385.23462	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	384.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	19.7
61.98710	1.6
70.46078	4.4
71.01244	4.0
78.45092	1.4
78.95766	4.0
89.02325	2.0
91.01761	4.6
91.74244	1.1
96.95891	3.9
96.97371	1.3
105.89890	1.3
108.02001	1.8
109.02824	3.5
112.95586	1.1
119.03403	1.5
119.04916	2.8
121.02780	2.2
123.04410	8.1
132.02046	8.9
132.04410	1.6
133.02812	1.7
134.03642	10.1
135.11650	2.1
145.02812	2.7
147.03165	73.5
148.03949	36.2
149.02347	1.9
149.04637	5.0
149.05922	2.8
160.01622	39.0
160.03937	91.4
161.02365	10.2
161.04471	5.0
161.09593	2.1
162.01894	2.3
162.03136	14.0
162.05487	23.2
164.04622	2.2
165.05171	1.5
173.04727	3.9
174.01852	1.9
174.05492	2.4
175.03918	100.0
176.01038	2.1
176.03410	4.8
176.04585	1.4
177.01848	1.4
177.05496	20.2
179.07079	1.6
179.10703	11.2
180.07343	1.6
180.88121	1.3
181.04962	2.4
181.84665	1.4
189.04164	1.6
193.03648	2.1
194.02118	4.1
200.03432	4.9
201.04239	72.7
202.04959	15.3
203.05428	1.8
208.06081	17.5
216.06599	34.7
218.08696	1.3
223.09669	5.1
234.03952	1.4
281.06815	4.3
282.07712	8.1
292.06143	3.0
294.07669	2.6
296.09116	7.0
297.06641	2.0
297.10019	30.8
298.10428	3.3
308.66788	1.4
309.06400	3.5
310.07373	2.7
310.10797	6.4
312.12384	9.1
324.08731	10.6
325.09537	9.5
326.10083	3.4
340.11746	3.6
356.11356	5.1
384.10843	35.3
385.11356	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	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21879	1.0
59.01252	2.8
62.35424	1.0
67.01762	3.2
68.94583	0.9
69.55804	3.3
69.56223	4.2
70.77959	1.0
71.01260	1.6
72.99185	3.2
73.02818	1.5
85.02823	10.8
87.00754	7.1
88.61478	1.2
89.40176	1.0
93.03339	25.6
95.01254	1.8
95.04918	1.8
98.20615	1.2
105.03330	3.1
109.02833	3.5
111.04420	4.3
121.02836	10.8
122.98692	1.1
123.00744	2.2
123.04413	2.2
124.01613	1.7
125.02373	3.2
127.03867	1.7
135.04439	1.2
137.02336	11.2
139.03915	16.1
148.01581	1.7
149.02350	23.6
151.03908	1.1
165.01878	4.2
167.03403	8.0
173.04486	19.8
191.05547	100.0
192.05911	5.0
193.01361	26.0
194.01625	1.7
211.02448	3.5
211.59543	1.2
247.04558	2.9
367.06619	5.3
385.07800	19.2
385.12585	1.5
386.07910	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	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	8.9
63.27861	0.9
69.30942	0.8
69.74639	1.1
70.90086	1.4
70.90424	1.6
71.01246	2.6
73.02815	1.2
78.95781	2.2
85.02840	1.2
87.00732	1.3
89.02309	2.8
94.38681	0.9
96.95891	15.7
101.02325	1.9
108.02056	6.6
109.20798	1.0
113.02341	1.4
121.02854	5.6
135.04443	4.6
136.01526	1.6
136.05164	3.3
149.02339	9.7
149.05980	1.2
151.03900	2.0
152.99535	1.1
161.05923	1.2
163.03918	12.6
164.04700	95.1
165.05186	5.8
177.05608	1.1
179.03452	2.9
179.07054	100.0
180.07373	4.2
303.21826	1.0
338.92520	1.0
341.11130	1.8
368.11053	1.5
383.17743	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78809	0.7
59.01250	100.0
60.01580	1.5
67.46576	0.7
69.29401	5.9
70.93127	0.6
71.01254	1.6
87.00726	0.9
89.02283	1.4
101.02301	0.9
113.02349	1.1
124.12054	0.7
322.27274	0.9
323.09769	0.9
325.26788	0.9
337.62372	0.7
341.10968	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	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.4
59.01250	8.7
61.98695	0.6
66.44785	0.6
67.01778	1.3
69.03326	100.0
70.03672	1.8
70.18633	1.1
70.19037	1.9
71.01256	3.5
72.98826	0.6
72.99182	2.9
73.02808	0.7
79.01779	1.1
81.34870	0.6
85.02821	2.4
89.02330	1.6
94.67200	0.6
95.01247	3.2
96.89664	0.6
97.02831	20.5
99.00763	26.5
101.02310	1.5
113.02364	1.1
119.03496	0.8
123.00811	1.1
132.02042	0.7
141.01862	5.0
142.02237	0.8
149.02345	5.0
151.00291	1.5
152.99419	0.9
153.09167	1.8
161.02373	1.0
164.04701	6.4
170.42569	0.6
179.07034	5.0
185.00844	49.5
186.01260	2.0
339.10916	2.4
340.11694	0.8
341.10822	0.8
383.09811	11.6
383.18100	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	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	8.9
63.27861	0.9
69.30942	0.8
69.74639	1.1
70.90086	1.4
70.90424	1.6
71.01246	2.6
73.02815	1.2
78.95781	2.2
85.02840	1.2
87.00732	1.3
89.02309	2.8
94.38681	0.9
96.95891	15.7
101.02325	1.9
108.02056	6.6
109.20798	1.0
113.02341	1.4
121.02854	5.6
135.04443	4.6
136.01526	1.6
136.05164	3.3
149.02339	9.7
149.05980	1.2
151.03900	2.0
152.99535	1.1
161.05923	1.2
163.03918	12.6
164.04700	95.1
165.05186	5.8
177.05608	1.1
179.03452	2.9
179.07054	100.0
180.07373	4.2
303.21826	1.0
338.92520	1.0
341.11130	1.8
368.11053	1.5
383.17743	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23643	0.6
51.23946	0.5
51.75913	0.5
59.01251	100.0
60.01589	1.2
63.08960	0.5
65.50426	0.5
69.03323	1.4
71.01272	1.5
71.49084	0.5
78.95770	1.4
85.02850	0.8
96.95882	1.0
97.02814	0.6
101.02341	0.9
131.41231	0.5
152.99538	1.9
161.15044	0.5
173.48883	0.6
321.19223	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	381.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	19.2
61.98706	5.8
69.78825	12.4
78.95778	5.1
82.52385	2.6
90.81487	2.5
96.95884	5.3
98.19954	3.5
141.09164	2.5
165.12671	3.7
181.12294	5.9
195.14009	2.8
197.80234	2.3
211.13374	2.8
217.00256	7.3
240.13678	3.5
279.09140	3.9
291.19693	30.6
301.03583	2.4
309.20715	100.0
310.21085	10.6
321.10147	9.3
341.10489	2.4
381.12341	17.0
382.12769	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	381.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89673	3.5
59.01241	16.5
61.98720	5.4
65.57116	3.5
69.94023	3.5
69.99406	17.6
71.01232	5.2
78.95764	9.0
88.03887	3.7
91.62576	3.5
99.03128	3.6
101.02345	3.9
153.12805	4.4
174.99248	4.7
189.15765	3.6
217.00224	11.8
247.20657	6.8
291.19632	34.6
292.20206	6.6
301.03488	4.6
309.20715	100.0
310.21008	8.4
356.33264	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	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47798	0.5
51.67322	0.5
59.01262	1.7
61.98707	0.7
63.17366	0.5
65.12127	0.5
69.85992	3.0
78.95777	4.0
102.79812	0.5
138.06752	0.7
149.06001	1.0
151.07565	1.4
152.99480	4.3
170.05737	4.1
179.93750	0.6
181.51575	0.5
192.11534	1.1
199.13315	2.1
204.39908	0.6
233.18974	1.3
235.20598	1.2
251.20103	2.6
265.90494	0.5
277.18088	78.9
278.18451	8.3
279.19647	24.7
280.20023	2.7
295.19138	100.0
296.19485	9.8
306.18512	1.0
363.25443	17.0
364.25696	2.8
381.26462	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	379.2853
Annotation	Persin
Peak:m/z	Relative Intensity
59.01226	1.5
71.41994	1.4
104.39971	1.1
135.35895	1.0
211.54495	1.0
222.96527	1.0
347.25888	9.8
379.28510	100.0
380.28867	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01588	1.3
71.20818	1.5
71.21144	1.1
72.11157	1.0
78.95763	1.8
79.83668	1.0
81.98366	1.0
107.27029	0.9
131.62119	0.9
147.12962	1.0
152.99408	1.1
162.86906	1.1
207.80589	0.9
220.92078	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	381.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20695	1.7
55.01745	4.1
59.01249	10.1
60.70398	1.7
69.03327	95.2
69.51526	14.5
70.03671	2.7
71.01251	12.2
72.99177	6.5
79.01723	2.5
79.45638	1.8
85.02800	6.8
87.00748	4.9
89.89835	1.6
95.01263	4.5
96.95884	2.4
97.02831	39.7
99.00753	21.4
101.02343	2.0
113.02331	4.3
115.00251	2.7
122.03619	5.0
123.00753	3.4
123.03665	2.1
123.04430	24.7
127.00253	4.4
129.01826	3.3
133.02858	7.7
135.04430	2.6
137.02348	3.8
141.01822	13.6
151.03929	41.3
152.04233	2.8
154.02635	3.5
155.02954	2.1
177.01845	22.0
178.02440	2.9
185.00830	57.1
186.01207	2.6
195.02885	15.3
203.01915	100.0
204.02174	3.9
230.20177	2.0
290.09521	1.8
298.02057	2.1
328.22763	1.8
381.04608	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	379.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41862	0.5
54.98002	0.5
57.41716	0.5
59.01249	100.0
59.22884	0.5
60.01586	0.8
67.36658	0.6
69.03327	1.9
69.18748	1.8
69.19171	4.6
69.75086	0.5
71.01259	1.3
71.55838	0.5
80.21014	0.6
83.90313	0.5
85.02814	0.6
96.95885	1.2
97.02812	0.5
99.00729	0.7
113.02353	0.9
144.71239	0.5
153.70297	0.6
170.92845	0.7
241.98967	0.7
297.41888	0.6
400.26978	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	379.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
60.94860	0.2
66.29979	0.2
69.03323	0.4
75.10477	0.2
76.77191	0.3
78.95756	0.2
79.95603	2.1
96.95886	100.0
97.95837	0.3
100.50079	0.2
139.03943	0.6
151.60355	0.2
193.04924	0.3
379.21576	41.2
380.21936	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	378.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79277	0.5
59.01241	0.6
61.98702	100.0
71.50362	0.7
78.95770	2.3
96.95911	0.4
104.61476	0.4
110.86192	0.5
144.18419	0.4
152.99457	3.0
171.00537	1.6
173.27350	0.4
256.07010	0.6
275.17023	0.4
309.91656	0.4
378.18814	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	379.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89208	0.6
55.01751	4.5
69.03323	100.0
70.03655	1.8
71.01247	2.0
71.06374	0.9
71.06710	1.4
72.99192	1.3
79.01773	2.2
85.02821	1.5
95.01260	2.1
97.02828	21.1
98.03156	0.7
99.00756	26.7
100.80440	0.6
123.00794	1.0
134.03636	5.1
137.22598	0.8
141.01848	9.8
154.33727	0.7
170.71848	0.7
178.02563	0.7
185.00847	33.6
186.01158	2.0
193.05048	4.0
203.01903	9.8
258.75360	0.6
379.06802	1.3
402.92480	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	379.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05054	0.4
55.01766	4.1
56.35759	0.5
57.47335	0.4
64.64902	0.4
67.01776	0.7
69.03324	100.0
70.03661	1.7
70.84608	1.0
71.01242	0.9
72.99177	1.9
79.01758	2.7
85.02836	0.8
95.01267	2.1
97.02833	19.0
98.03191	0.5
99.00755	23.4
123.00753	1.1
124.60801	0.5
134.03603	5.5
135.04013	0.7
141.01825	10.2
143.96074	0.5
166.99857	0.5
178.02635	0.7
180.04073	0.5
185.00844	39.8
186.01241	1.5
193.04980	4.8
203.01967	1.6
203.80493	0.5
229.18597	0.5
255.59787	0.5
379.06802	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	378.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59549	1.2
59.01240	3.5
61.98700	100.0
62.30848	0.9
66.36171	0.9
71.01244	5.2
71.50890	2.2
101.97948	5.1
119.78130	1.0
155.99043	2.6
156.00244	1.1
177.09134	2.0
192.11542	5.5
198.05826	0.9
205.12267	1.6
219.97755	1.1
220.14621	37.1
221.15395	54.4
222.15729	4.3
231.17403	3.0
236.10492	47.7
236.12927	1.7
237.10915	3.5
249.33287	1.0
275.16440	5.9
293.17511	10.6
294.17947	1.7
305.12360	5.5
306.13232	3.0
321.07678	1.3
360.14285	6.7
378.15302	53.2
379.15668	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	377.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.2
57.03328	1.1
58.00470	0.4
59.01248	100.0
60.01590	0.9
69.03321	0.2
71.01250	17.7
71.04897	0.4
71.55444	0.2
72.01602	0.4
72.99186	0.9
73.02817	5.9
75.00751	0.4
77.98659	0.2
79.95595	0.5
80.96383	0.4
81.40287	0.2
83.01252	3.0
83.01710	0.2
85.02820	9.4
87.00768	1.1
89.02316	5.0
95.01264	1.3
96.95883	2.3
97.02843	0.7
99.00749	2.1
101.02317	14.5
102.02669	0.5
111.00771	0.5
113.02325	7.4
119.03381	1.4
119.45409	0.2
125.02352	0.6
127.11179	0.5
134.20314	0.2
143.03401	1.3
146.19577	0.3
152.99455	0.4
159.02933	1.6
161.04456	9.5
164.98621	0.4
173.15375	2.0
201.53706	0.2
203.35751	0.2
235.08783	0.3
317.19785	0.8
335.20728	21.3
336.21103	1.9
377.12781	1.3
377.22253	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	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84353	0.8
59.01250	23.1
71.36565	1.4
93.59768	0.8
95.72874	0.9
125.09597	1.2
151.11157	1.5
161.70386	0.9
171.10156	28.9
172.10538	1.4
190.77452	0.9
233.22566	1.3
249.22235	1.4
277.21722	34.9
278.22147	4.2
295.22778	100.0
296.23126	8.6
317.20950	32.1
318.21457	2.7
341.10730	1.1
361.19907	6.0
362.19839	1.0
377.22925	23.9
378.23254	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	377.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
58.00469	1.4
59.01249	100.0
60.01559	0.9
69.03325	2.2
69.28898	7.0
71.01252	53.2
72.01572	0.9
72.61727	0.7
72.99184	2.1
73.02817	68.1
74.03182	0.9
76.50689	0.9
83.01250	20.2
85.02827	5.5
87.00779	1.1
89.02315	8.4
91.55070	0.9
95.01257	1.4
96.95878	1.2
97.02840	1.3
97.06463	1.0
98.19855	1.6
99.00752	1.4
101.02320	53.8
102.02627	1.0
113.02321	14.5
114.30149	0.8
119.03392	3.0
123.04390	1.1
125.02322	3.7
131.03381	3.8
143.03397	4.0
149.04454	3.8
155.03368	2.2
155.10686	35.3
156.10979	2.1
161.04428	8.7
174.01068	0.8
184.58344	1.0
203.05437	1.0
211.13374	1.1
212.13791	1.0
216.40431	0.9
252.14474	0.8
346.20297	1.1
360.17960	1.6
377.18109	2.8
378.19193	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	377.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
57.03323	1.2
58.00460	0.8
59.01248	100.0
60.01587	1.3
61.98716	0.4
69.46655	0.3
71.01252	19.4
71.49709	0.5
72.99178	0.7
73.02818	4.5
75.00744	0.4
83.01272	2.0
85.02821	9.2
87.00756	1.0
89.02311	6.8
95.01252	1.9
96.95889	1.0
97.02864	0.4
99.00767	2.3
101.02317	14.1
104.88007	0.3
111.00761	0.5
113.02323	9.6
119.03365	2.2
120.01113	0.4
125.02342	0.6
127.11186	0.6
133.42387	0.3
143.03415	0.8
148.02019	0.4
159.02911	1.3
161.04460	10.2
162.04799	0.4
173.06003	0.7
173.15338	2.1
179.05637	0.4
205.03482	0.4
211.13420	0.4
317.19772	1.4
317.49249	0.3
335.20721	21.8
336.21106	2.2
341.10791	0.3
377.22000	0.7
394.26010	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	376.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73738	0.9
57.22748	1.0
59.01249	100.0
60.01575	1.4
61.98687	1.6
66.13058	0.8
67.41531	0.9
71.37630	1.1
72.80717	0.9
87.95493	0.8
97.76518	0.9
154.96674	1.0
316.28656	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	377.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.7
61.98703	100.0
66.76377	0.3
71.01273	1.0
72.99181	0.4
73.02842	0.6
75.05183	0.3
85.02850	0.5
89.02341	0.6
98.40443	0.3
101.02368	0.7
103.89588	0.3
113.02312	0.8
113.05963	0.3
114.00133	0.3
115.08664	0.8
119.03358	0.4
122.03658	0.5
123.04436	0.8
129.10268	0.7
133.02841	0.5
135.04407	10.0
136.04787	0.4
147.04434	1.1
148.04895	0.4
150.03012	0.3
152.07072	5.7
152.84125	0.3
155.10707	0.4
161.02362	3.7
161.04546	0.3
164.07097	3.2
165.07431	1.0
172.05203	0.4
178.05034	1.6
180.06625	0.4
219.15092	0.4
228.17120	1.6
229.17429	0.9
263.07813	0.3
314.10333	25.6
315.10687	2.8
335.17212	1.0
347.11572	0.5
376.22406	2.4
377.18170	1.8
377.22876	3.6
378.19443	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	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13807	1.1
59.01252	46.9
70.06899	5.0
70.93693	1.0
74.61215	1.1
78.95766	1.7
92.80531	1.2
95.04903	4.3
106.05373	1.6
107.56380	1.2
109.06496	1.7
121.10116	28.8
122.10450	1.6
125.09591	2.5
153.78653	1.1
171.10181	63.1
172.10512	3.2
183.13855	1.3
185.11768	2.2
207.09944	2.8
213.45882	1.3
223.96965	1.1
231.21103	4.9
275.20166	100.0
276.20599	8.2
278.11322	11.2
293.21237	77.9
294.21527	7.0
297.18362	2.0
315.19400	43.6
316.19696	3.5
329.17346	1.3
338.62674	1.3
359.18378	7.1
375.21426	30.8
376.21472	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	376.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58024	1.0
58.02845	12.0
59.01240	4.4
71.49651	2.2
71.73630	0.9
74.02344	84.3
77.85880	1.2
80.07735	1.0
82.82213	1.1
84.04408	3.3
85.03941	4.2
98.52201	1.1
113.03493	2.0
116.04936	21.7
120.01171	1.1
121.02869	1.8
125.03490	2.8
125.48743	1.0
128.03424	1.1
128.60805	1.0
129.10229	87.7
130.10576	2.2
153.10258	2.9
160.07591	16.9
161.02463	1.6
162.02185	19.6
171.11308	39.4
172.11646	1.2
174.05516	3.8
198.12802	2.9
204.06664	5.2
211.13307	8.7
221.09320	6.7
242.11832	34.8
243.12059	2.7
290.18753	2.5
301.15546	16.1
332.19751	6.6
375.27933	1.5
376.18732	100.0
377.19034	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74177	0.4
59.01250	100.0
60.01591	1.1
69.19968	1.3
69.20392	3.3
71.01254	3.1
73.02866	0.6
78.11481	0.5
85.02847	1.6
89.02345	0.6
93.27128	0.4
96.95918	0.6
99.00785	0.6
100.47884	0.4
100.86895	0.5
101.02345	2.0
113.02350	1.4
131.02029	0.4
131.62836	0.4
136.75537	0.5
159.97588	0.8
161.04472	2.5
174.99338	0.5
217.00281	1.0
315.18341	1.2
332.12424	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96137	1.2
53.84987	1.2
55.01742	2.5
57.03324	5.3
58.00465	4.7
59.01251	100.0
60.01583	2.0
69.03317	2.1
69.07692	1.2
69.29803	11.8
71.01254	90.9
72.99191	6.2
73.02813	14.5
79.95584	1.5
82.64828	1.3
83.01266	9.5
85.02824	29.8
87.00755	6.0
89.02321	60.1
93.24297	1.3
95.01271	7.6
96.95864	3.9
97.02873	2.1
99.00749	7.6
100.18272	1.5
101.02326	69.6
102.02670	2.5
111.40131	1.4
113.01537	1.8
113.02327	37.3
113.09608	1.5
119.03381	26.7
120.03744	1.6
124.61920	1.4
126.04705	1.5
127.11174	2.5
131.03352	2.1
143.03429	5.2
159.02924	3.0
161.04480	22.7
179.05510	2.6
205.03462	1.8
211.13228	2.5
217.00301	2.3
325.96051	1.5
331.21277	8.4
375.20236	23.9
375.27460	18.8
376.27948	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.8
56.49085	0.5
57.03306	0.7
58.00465	2.3
59.01250	46.1
60.01572	0.8
60.56992	0.5
61.98707	0.8
71.01251	24.1
71.45116	0.9
72.99171	2.2
73.02810	1.2
83.01247	2.0
85.02817	5.4
85.32961	0.5
87.00755	0.7
89.02317	19.1
95.01235	1.9
96.95879	0.8
99.00766	0.8
101.02321	16.2
111.00813	0.5
113.02323	7.4
117.62090	0.4
119.03384	7.5
161.04362	0.5
167.19887	0.5
183.13872	0.7
187.96918	0.5
195.13844	8.8
196.14259	0.6
211.13292	0.9
213.14902	4.0
273.09595	0.4
357.19055	0.7
375.20221	100.0
376.20575	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01583	1.2
69.26798	1.1
69.27203	3.7
71.01247	2.8
73.02814	0.5
78.95768	0.5
79.46170	0.4
85.02830	0.9
88.80099	0.4
96.95877	0.5
98.19778	0.9
99.72560	0.4
101.02337	1.6
107.61969	0.4
113.02341	1.0
116.72377	0.4
135.36459	0.4
159.49036	0.4
161.04404	2.1
168.44893	0.4
188.79564	0.4
190.95755	0.5
217.00333	0.7
269.80768	0.5
276.22098	0.5
321.94724	0.5
368.96823	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22522	0.3
55.25735	0.3
59.01249	100.0
60.01588	1.0
66.19238	0.3
71.01250	2.4
71.48834	0.6
75.02574	0.3
78.95780	1.8
85.02807	0.6
89.02330	3.3
96.95908	0.5
101.02341	1.1
113.02312	0.9
119.03419	1.2
138.29250	0.4
146.45604	0.4
146.91011	0.4
155.01883	0.4
171.00572	0.9
217.00348	0.4
256.76804	0.4
315.03195	0.4
332.12003	0.5
375.27658	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32893	1.3
55.48946	1.4
59.01257	2.3
60.57822	1.6
73.58147	1.2
74.98945	2.2
78.95786	2.1
79.97811	1.7
98.19789	3.7
159.08397	12.3
161.06357	3.1
192.98087	1.6
198.75018	1.6
209.01335	2.2
217.07314	2.4
277.07486	2.8
291.09100	100.0
292.09262	10.9
355.40961	1.4
357.13712	1.8
359.15347	99.6
360.15533	17.6
375.18457	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17502	0.5
70.99724	1.3
74.98959	2.2
86.25057	0.5
93.00021	1.6
99.90636	0.5
119.46497	0.6
159.08383	9.3
161.06288	3.3
168.62169	0.7
209.01201	1.9
217.07271	0.9
224.13745	0.6
235.47707	0.6
275.05859	1.1
277.07526	2.6
289.07504	1.7
291.09097	95.3
292.09265	13.5
309.10031	2.5
357.13828	2.5
359.15338	100.0
360.15503	18.4
375.18518	5.8
376.18695	1.7
377.16263	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01588	1.0
61.98719	0.7
69.98521	2.3
71.01261	2.4
73.06810	0.5
78.95782	3.1
83.51617	0.5
89.02337	1.9
95.51586	0.4
96.95866	0.7
101.02331	1.6
113.02381	0.5
119.03400	1.0
121.40314	0.5
143.03313	0.5
161.04443	0.7
171.00580	1.4
217.00186	0.6
229.07394	0.5
267.98483	0.5
296.22086	0.4
315.18134	1.1
375.27524	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	375.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.3
61.98701	0.8
62.83989	0.5
69.83556	2.4
71.01250	11.5
75.26892	0.6
89.30951	0.5
99.92458	0.6
107.58218	0.6
127.07527	1.3
127.21538	0.6
151.07573	1.2
174.99228	0.6
177.09103	3.7
185.13533	0.6
190.09987	1.8
192.11490	7.4
205.12267	3.1
207.13841	1.9
217.00340	2.8
218.09413	2.5
220.12392	0.7
220.14630	41.1
221.15402	100.0
222.15784	6.6
231.17456	0.9
235.13338	1.5
236.10495	90.8
237.10890	7.3
275.16476	1.1
292.11548	0.7
293.17587	41.9
294.17941	3.3
301.31287	0.7
311.90536	0.6
318.09631	3.8
319.09668	0.6
321.15564	1.8
334.81271	0.6
335.13361	0.7
375.17825	8.0
376.17892	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.7
57.03315	4.4
57.46339	1.3
58.00463	4.1
59.01251	75.0
71.01251	50.1
71.18962	1.3
71.48960	1.4
72.99171	4.9
73.02815	10.8
83.01254	8.9
85.02825	21.4
86.27737	1.4
87.00749	5.4
89.02318	29.7
90.76569	1.8
95.01266	4.6
99.00745	3.8
101.02316	42.3
103.44229	1.5
113.02326	20.1
119.03387	18.6
131.03369	1.9
132.73526	1.4
137.02251	1.5
143.03378	2.6
144.08014	1.7
149.04530	1.9
161.04465	7.1
177.09154	12.4
179.05515	5.9
198.06818	1.5
202.66568	1.6
212.08253	9.5
213.11226	1.9
240.06520	1.8
241.07317	11.7
255.08844	50.0
256.09201	3.5
269.67023	1.5
331.17563	2.8
357.15524	28.1
358.15903	2.2
375.16614	100.0
376.16901	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	374.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56100	1.3
59.01251	100.0
61.98702	1.7
62.61930	1.3
66.46091	1.3
66.46434	1.5
71.49834	2.2
87.43661	1.6
91.19106	1.3
96.39316	1.4
217.00230	5.1
232.10927	3.8
239.62294	1.5
253.21689	1.8
273.99774	1.7
374.24512	51.3
374.29080	1.7
375.24863	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	374.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.37871	0.8
62.44064	0.9
63.65356	0.8
63.92564	0.8
69.20929	1.3
69.21336	7.8
71.01255	0.9
96.95905	1.8
97.24851	0.9
98.20597	1.9
100.67975	0.8
116.83585	0.9
153.06831	0.9
174.99118	1.4
217.00211	3.3
253.21661	1.2
312.54141	0.9
314.27063	2.3
374.24438	1.9
375.18359	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	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.6
57.03335	2.2
58.00471	3.3
59.01253	49.6
67.01768	1.6
68.50983	1.5
69.03315	3.3
71.01253	34.8
71.04916	1.9
71.50182	2.2
71.50542	1.7
72.99200	1.8
73.02818	6.8
73.40053	1.4
83.01258	3.7
83.04892	2.0
85.02829	10.4
87.00788	2.7
89.02316	18.1
95.01259	2.7
95.04897	6.1
96.95891	4.2
97.06464	3.5
98.03610	5.5
101.02332	14.2
107.04914	9.2
113.02341	11.6
119.03373	5.5
120.85677	1.4
123.08090	2.1
137.09595	2.2
149.09612	2.7
151.11188	95.6
152.11479	5.6
161.04410	2.3
169.12257	65.8
170.12633	4.0
195.10201	100.0
196.10550	6.7
211.13203	3.5
213.11278	63.8
214.11562	2.9
217.14401	5.6
224.65784	1.7
309.35184	1.7
375.27524	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	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02139	0.1
59.01246	2.3
68.82003	0.1
69.64900	0.9
94.90089	0.1
97.37296	0.1
101.05953	1.0
117.44501	0.1
121.02946	0.1
124.07561	0.5
125.07078	0.2
146.40407	0.1
148.05011	0.3
149.07027	0.2
165.10272	0.2
174.99272	0.1
189.10239	0.7
206.12846	0.2
217.00256	0.4
232.10872	10.2
233.11174	0.6
260.10419	0.2
268.04254	0.1
272.17709	0.4
273.15909	0.2
274.15509	0.1
276.09882	0.1
289.17877	1.6
290.18750	2.6
315.20844	0.1
316.16666	1.5
317.17160	0.1
318.18246	0.3
335.50790	0.1
341.03979	0.1
358.21283	1.1
359.21609	0.2
374.24454	100.0
375.24774	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.3
69.48476	4.4
71.44241	0.6
81.18788	0.6
82.25647	0.5
93.03339	2.2
97.06509	0.6
102.16552	0.5
136.03694	0.5
139.37389	0.5
148.08829	1.4
150.10408	1.3
151.11140	0.6
152.99561	0.5
165.12755	21.3
166.13106	1.3
175.11230	0.6
176.12053	0.9
177.12787	0.7
213.99203	0.5
244.10754	3.6
247.20662	11.0
248.21121	0.7
261.54736	0.5
273.18707	6.4
291.19650	100.0
292.19968	11.4
305.89441	0.5
313.17877	14.5
313.21548	0.8
314.18042	1.3
373.19962	13.5
374.20151	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48675	0.8
59.01251	100.0
60.01591	0.9
71.01253	9.2
71.07803	1.8
73.02811	4.8
75.88022	0.7
83.01283	1.6
83.39807	0.8
85.02841	2.0
89.02325	5.4
101.02298	3.8
104.04948	0.9
105.06161	0.8
107.03663	1.4
108.04436	2.3
113.02348	4.8
119.03438	2.2
122.05994	9.7
122.06767	1.0
131.03435	0.9
132.04445	19.1
133.04750	1.0
143.03473	0.7
148.04042	0.9
152.07083	18.7
176.03485	1.4
269.12970	0.9
297.12360	5.9
309.96185	0.8
341.11401	18.2
342.11829	1.4
373.14063	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	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01754	1.8
57.03313	1.2
58.00468	4.9
58.36329	0.4
58.69985	0.4
59.01248	100.0
60.01582	1.1
62.07809	0.5
69.03325	1.6
69.90753	2.2
71.01252	54.2
72.01582	0.9
72.99173	4.4
73.02810	1.6
83.01250	3.3
85.02824	10.5
87.00745	2.2
89.02316	60.6
90.02682	0.7
95.01273	3.2
95.91465	0.4
96.93999	0.5
98.20453	0.7
99.00736	1.1
101.02321	38.5
102.02634	0.7
102.22352	0.4
112.10681	0.5
113.02327	21.8
119.03388	31.0
120.03710	0.9
122.05997	0.4
125.02351	1.1
131.03433	2.6
132.04402	0.6
143.03392	3.3
149.04457	2.1
151.00293	1.4
161.04489	2.5
179.05487	3.9
185.00867	1.1
193.12265	6.6
211.13406	1.0
263.08569	0.4
329.26242	0.5
331.17633	0.8
373.14584	1.3
373.18637	35.8
374.19092	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	373.1866
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
55.01754	2.0
55.52084	0.7
57.03321	2.0
59.01249	100.0
60.01577	1.2
69.38062	6.0
71.01253	27.4
72.99181	0.8
73.02816	10.9
81.06973	1.3
83.01242	4.0
85.02818	10.3
85.99971	1.9
87.00751	2.6
89.02308	12.3
92.71165	0.7
95.01271	1.4
96.95879	1.0
99.00744	2.3
101.02322	19.0
102.05521	0.9
105.24691	0.7
113.02332	11.6
114.02667	0.8
119.03384	5.2
122.53348	0.7
123.59259	0.7
125.02347	0.7
128.03426	0.9
130.08691	0.9
143.03305	0.8
149.04523	1.2
159.06555	1.5
161.04430	4.9
165.12796	0.8
167.14316	9.1
179.05489	2.6
190.54932	0.6
193.12257	7.3
211.13342	40.5
212.13680	2.1
245.17738	0.8
249.09831	0.8
270.70914	0.7
295.61627	0.8
313.16583	1.5
331.17468	2.3
373.18640	74.1
373.26266	2.1
374.18863	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	373.1501
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
57.61681	1.0
59.01249	78.1
66.25476	1.0
69.03310	1.2
71.01247	14.3
72.99160	2.8
85.02816	4.3
89.02322	15.1
90.02644	1.0
95.01286	1.3
97.02824	2.7
101.02316	11.9
113.02305	8.2
119.03382	6.8
121.02829	2.2
145.06096	1.7
149.06013	1.0
149.09615	17.8
150.03171	1.0
150.09969	1.6
151.03900	3.6
179.91234	1.0
193.05032	1.3
193.08501	1.5
211.09648	1.6
229.69576	1.3
251.06567	1.2
330.13525	1.8
373.11133	3.9
373.14993	100.0
374.15567	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	373.1691
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
53.44390	1.2
56.68897	1.0
58.22569	1.1
59.01239	6.0
61.98689	1.3
63.96107	57.3
71.01253	1.1
71.49830	2.1
72.42805	0.9
72.71133	1.0
75.00729	1.1
78.95760	1.3
79.95606	100.0
80.96384	28.4
94.47970	1.0
96.95895	5.4
119.98749	5.0
137.09583	1.4
138.24345	1.2
171.10208	6.5
173.06332	9.5
183.13783	4.5
189.05840	37.8
190.06169	1.8
195.13847	1.2
201.11229	8.4
242.96233	1.1
275.20087	2.6
291.19736	2.7
293.21246	7.6
355.15854	6.5
373.16833	40.9
373.26166	2.7
374.17188	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	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.4
59.01252	79.1
60.01576	1.2
61.26857	0.7
68.64183	0.7
69.03325	100.0
70.03657	2.0
71.01255	9.5
71.50140	1.2
72.99175	3.4
73.02824	1.4
79.01752	1.7
80.04932	1.3
83.01249	1.9
85.02831	4.5
86.93504	1.0
87.00753	1.2
89.02322	4.1
95.01257	3.5
97.02828	18.6
99.00751	26.8
101.02323	5.0
104.04918	0.9
107.70779	0.8
108.04430	8.8
113.02337	4.6
119.03405	1.8
122.05995	1.9
123.00753	1.6
125.02352	0.9
125.09603	4.5
130.08624	3.0
132.04443	15.7
135.04424	0.8
141.01839	6.1
148.02003	0.7
152.07054	2.5
161.04526	1.5
164.07071	1.5
176.03461	0.9
178.05051	1.2
179.05443	1.3
185.00833	57.4
186.01181	1.7
187.09665	4.9
227.88107	0.8
229.09790	1.0
253.09818	2.6
269.17691	1.1
287.35083	0.8
297.08759	4.2
297.12360	2.2
329.11426	2.5
329.15054	1.6
331.17596	1.8
357.14569	1.2
373.11151	5.6
373.15097	1.6
373.18781	3.3
374.11414	1.0
374.21548	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	371.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66140	0.1
50.89135	0.2
55.01748	0.2
59.01250	1.8
69.29184	0.8
69.29621	0.7
71.01249	1.2
72.99178	0.4
73.02819	0.6
79.95606	2.8
80.96396	1.5
83.01256	0.6
85.02818	0.5
87.00733	0.4
89.30538	0.2
94.97943	0.3
95.95145	0.2
96.95889	100.0
97.95829	0.4
98.20647	0.2
99.00740	0.2
101.02332	1.5
113.02322	0.5
122.97446	0.6
138.96992	0.9
143.03433	0.2
150.96954	0.6
152.98526	1.2
153.69221	0.1
178.28635	0.2
180.98036	2.4
190.37782	0.1
190.71225	0.2
241.00186	4.0
246.00653	0.2
371.13782	95.6
372.14087	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	371.1611
Annotation	GS-2
Peak:m/z	Relative Intensity
57.11009	0.5
59.01249	6.4
61.98674	0.8
66.45968	0.5
72.12276	0.5
80.53989	0.5
96.95926	0.6
104.18814	0.4
105.30495	0.5
108.08071	2.7
112.62643	0.5
116.92738	0.7
121.05231	4.1
122.05987	0.9
124.41464	0.5
128.44870	0.6
130.02878	2.7
131.03650	2.6
132.04448	6.2
136.07584	100.0
137.07915	3.9
146.06017	1.4
147.03145	0.7
148.03918	1.2
150.01880	0.8
152.03473	0.8
153.04251	4.5
158.02380	8.2
160.03937	1.1
162.05508	4.3
162.21227	0.5
164.07095	0.7
176.03456	1.8
190.05026	31.2
191.05374	1.2
192.06631	0.5
197.84174	0.5
199.00682	0.6
200.89551	0.5
202.05006	0.5
207.35023	0.6
211.41447	0.5
222.07674	27.1
223.08025	1.2
229.09009	0.5
234.07556	1.5
252.33176	0.5
302.60587	0.6
311.22391	0.6
329.23257	1.2
339.13675	2.6
340.13889	0.6
343.16696	1.3
371.16125	46.5
371.24158	1.9
372.16522	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	371.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.5
59.01249	40.5
61.98695	10.1
71.01244	7.8
71.49606	4.9
73.02818	6.2
75.00746	6.8
85.02800	3.9
95.07812	2.8
96.95875	7.5
102.58498	2.7
113.02309	4.1
117.02314	2.8
121.02834	4.1
148.07484	2.7
161.41620	2.6
167.10687	100.0
168.10954	5.9
181.12370	4.2
191.10660	7.2
209.11761	4.2
221.11659	7.3
239.12889	3.9
371.13980	3.4
371.19510	3.7
371.24539	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	372.1451
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
53.37048	0.6
54.55713	0.6
59.01252	3.7
71.01247	1.4
71.50348	0.7
77.19608	0.6
102.49454	0.6
107.04882	0.8
109.02815	2.3
121.02800	1.5
132.04514	0.9
133.02852	2.3
134.03616	6.8
135.04414	25.1
136.03909	1.4
137.02336	7.6
138.03123	6.3
146.02480	1.0
147.03302	1.3
147.04420	13.8
148.05197	53.5
149.02348	3.8
149.06013	6.6
150.03149	1.5
152.04657	0.9
152.07095	1.1
160.03885	0.9
161.02333	3.1
162.05518	0.8
162.06740	6.2
164.03358	0.9
164.04666	2.1
164.07040	1.6
165.04181	1.8
165.05501	0.8
170.02161	1.6
175.03920	1.2
176.03433	6.2
177.04218	7.2
178.05005	41.0
179.05496	1.9
189.04228	1.6
190.03265	0.8
190.05009	15.9
191.05356	1.6
191.54529	0.7
192.06555	6.1
197.08110	0.6
204.06615	4.1
222.07793	0.7
313.11008	0.8
336.02957	0.8
342.09787	3.1
356.11356	0.8
357.12140	24.2
358.12454	2.7
372.14487	100.0
373.14764	12.9
373.19077	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	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01592	1.1
69.03329	2.5
71.01265	0.6
73.92246	0.4
74.32209	0.3
76.94882	0.3
92.04794	0.4
95.01218	0.3
97.02843	0.4
97.71390	0.3
99.00755	0.6
130.08640	1.5
166.74066	0.3
175.03957	0.4
180.10216	0.6
185.00873	1.6
229.77501	0.3
269.10263	0.5
372.21368	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73495	0.7
59.01251	100.0
60.01586	1.3
69.03326	0.9
70.97299	1.9
71.01263	2.7
72.99190	1.5
73.03951	1.0
85.02824	2.4
87.00780	0.9
89.02347	1.1
95.01299	1.0
96.95919	1.0
97.02846	0.9
104.32849	0.8
110.02345	0.6
113.02354	1.9
121.02845	5.9
127.05036	3.8
129.10257	1.8
130.08630	15.1
141.01865	2.1
141.02850	0.7
143.11777	4.1
145.06161	1.1
150.19037	0.7
160.01625	0.9
173.04497	0.9
180.10263	3.0
185.11787	3.0
191.05545	1.8
192.30569	0.7
197.04619	0.9
197.13008	1.0
199.18108	1.3
223.10939	1.1
237.80394	0.8
240.13504	3.8
242.18654	1.0
249.06114	1.7
256.20349	2.6
269.10452	1.1
273.13004	0.7
341.10495	0.9
354.20462	2.0
371.10025	2.0
371.17932	1.8
371.22940	17.2
372.21393	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	371.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
62.07600	0.2
66.05987	0.2
69.03307	0.3
71.01255	1.7
71.20398	0.2
71.20727	0.5
72.99167	0.4
73.02817	0.7
79.95606	3.3
80.96398	1.5
83.01258	0.5
85.02832	1.2
87.00745	0.6
95.95097	0.4
96.95887	100.0
97.95861	0.3
101.02316	2.4
113.02343	0.3
114.69150	0.2
122.97462	0.5
125.02297	0.4
138.96957	1.2
150.96973	0.7
152.98535	1.3
180.87015	0.2
180.98041	2.5
196.13657	0.2
200.92778	0.2
227.16449	0.6
241.00209	4.0
371.13794	94.1
371.21140	2.4
372.06927	0.3
372.14136	7.7
372.21289	0.3
383.57764	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	371.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65980	0.4
57.92333	0.4
59.01250	100.0
60.01590	0.9
60.81455	0.3
66.91831	0.3
69.03326	2.7
95.45298	0.4
97.02812	0.3
98.20660	0.8
98.60020	0.3
99.00803	0.6
165.17619	0.4
185.00822	2.1
185.70647	0.5
230.16879	0.5
269.10498	0.5
388.61288	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01592	0.8
63.21663	0.3
69.03310	0.7
69.49217	2.6
71.01249	1.2
83.07610	0.4
90.98738	0.4
98.19806	0.7
107.04901	12.3
108.05235	0.4
130.08652	0.8
153.77934	0.4
179.03387	0.4
192.78615	0.4
236.06471	0.4
348.18262	0.4
371.19238	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38380	0.6
57.03312	1.6
57.09615	0.7
59.01249	14.9
67.01749	1.6
68.99683	1.8
69.03320	1.8
70.96358	0.8
71.01250	14.8
72.99176	4.1
73.02817	2.0
75.00742	18.4
75.42838	0.8
78.52027	0.8
80.53944	0.7
81.03334	1.0
82.88823	0.7
83.01257	1.0
85.02818	21.2
87.00732	5.3
89.02313	4.2
91.03857	0.7
93.03316	1.3
95.01242	4.7
97.02810	0.9
98.20605	2.6
99.00752	7.8
103.00234	2.7
111.00753	1.6
113.02330	25.3
114.02652	0.8
115.00251	1.6
117.01804	3.9
121.02840	100.0
122.03189	3.8
122.57813	0.7
129.01810	2.1
142.64380	0.8
167.03400	1.7
175.02333	3.4
189.04028	1.1
224.70212	0.7
229.71399	0.9
231.05075	9.2
249.06123	75.1
250.06471	4.9
311.07822	0.8
353.08630	0.9
371.09811	48.9
372.10062	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	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41618	0.5
55.01763	3.7
59.01247	4.4
67.01773	1.1
69.03326	100.0
69.25407	2.9
69.25838	2.2
70.03670	2.1
71.01240	2.6
72.32864	0.5
72.99183	1.8
73.02813	0.7
73.03946	0.9
79.01768	1.3
79.17614	0.5
79.33778	0.5
83.01241	1.0
85.02837	2.1
87.00738	0.6
89.02319	1.0
95.01260	3.1
96.95927	0.7
97.02830	20.5
98.20534	0.9
99.00758	24.9
101.02319	1.2
101.17098	0.6
107.43302	0.5
110.39986	0.4
111.00832	0.5
113.02332	1.5
123.00764	0.9
141.01831	9.1
161.02489	0.6
161.04349	0.4
164.07071	0.8
183.10242	1.6
185.00842	52.2
186.01193	2.4
251.12604	1.0
259.77914	0.6
369.11923	6.9
369.15997	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	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.14112	1.2
57.03313	2.2
59.00958	1.9
59.01249	27.2
67.88820	1.2
69.03310	1.5
69.19041	1.3
71.01252	23.0
71.49013	1.4
72.99172	8.2
73.02800	2.6
75.00748	18.9
83.01236	1.7
85.02823	21.3
87.00755	9.6
88.01140	1.6
89.02318	10.1
95.01273	6.1
99.00761	8.5
101.02318	5.5
102.42184	1.3
103.00230	3.8
103.06176	1.3
113.02340	31.6
117.01842	3.2
119.03374	2.6
121.02843	100.0
122.03568	2.7
125.78517	1.3
125.89405	1.4
128.03389	1.5
129.01802	1.8
149.02286	4.1
150.03123	18.1
156.89606	1.3
165.05478	21.9
166.02652	1.4
175.02336	3.7
193.03464	2.0
194.02109	2.6
209.04482	6.7
231.05049	3.8
233.04417	1.4
249.06131	21.6
253.10812	1.5
371.05020	3.0
371.09686	63.1
371.13535	7.3
372.10034	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	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.7
59.01243	4.0
61.18410	0.9
64.91408	0.9
66.50134	0.9
67.01768	1.1
69.03324	100.0
70.03647	2.1
71.01248	2.0
71.07487	0.9
71.50036	1.2
72.99173	1.7
73.02795	1.0
73.03947	7.8
79.01781	1.5
81.03342	3.9
83.02390	1.0
85.02847	2.0
95.01262	3.3
96.95889	1.4
97.02827	18.3
99.00755	25.7
101.02315	1.1
125.09647	1.7
128.05090	1.0
128.18146	0.9
141.01840	7.9
145.48662	0.9
146.06046	1.2
148.04675	0.9
162.76917	0.9
164.04677	1.2
164.07086	4.2
165.05444	1.9
165.07417	3.4
175.03983	1.3
183.10167	2.5
185.00842	50.8
186.01205	1.5
195.24005	1.0
202.87915	1.1
213.72206	1.0
251.12663	4.9
312.64081	1.0
369.11868	8.4
369.16388	10.2
370.12088	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	367.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01591	0.8
61.98687	0.5
67.01771	0.6
69.56888	2.9
71.01253	4.3
73.02820	1.3
81.45785	0.5
83.01292	0.6
85.02807	2.5
87.00770	1.7
89.02351	0.7
93.03345	6.4
96.95917	0.5
98.60022	0.4
99.00772	1.0
99.45731	0.5
101.02316	4.1
111.04425	1.1
113.02367	2.0
134.03677	1.7
143.03522	0.6
145.02864	2.6
147.03200	1.1
148.04047	0.5
160.01572	0.5
161.01048	0.5
161.04463	3.3
172.06163	0.5
173.04445	3.8
175.03941	1.0
191.05637	1.8
193.05037	0.7
307.17609	8.7
308.18088	0.7
367.10239	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	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
54.36482	0.5
56.40742	0.4
59.01252	0.8
65.73927	0.5
76.16763	0.4
92.97822	0.5
126.97880	0.5
132.05061	0.5
133.06471	8.5
149.09618	79.2
150.09964	4.4
161.44296	0.5
162.10440	0.5
163.22853	0.4
173.13649	0.5
174.76158	0.5
197.02840	0.7
205.15907	42.7
206.16223	3.1
295.16931	2.6
328.16760	2.0
329.17215	0.5
335.22964	0.5
367.26404	100.0
368.26761	16.0
391.61990	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	367.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09182	3.7
81.31047	0.7
108.84015	0.8
118.78213	0.9
133.06487	2.7
139.98705	0.9
149.09636	95.8
150.09962	5.8
189.12859	1.1
205.15929	100.0
206.16264	8.8
254.25809	0.9
326.37527	0.9
367.26428	96.3
368.26849	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01250	1.9
60.99171	2.4
67.01768	4.7
70.97042	1.6
71.01254	2.7
72.99192	0.8
81.03336	1.6
82.26520	0.8
83.04879	1.6
85.02824	8.5
87.00751	10.2
87.33224	0.9
93.03338	36.1
94.03652	1.4
99.00784	0.9
105.03381	1.5
109.02858	2.1
111.04401	4.3
121.02838	0.7
122.03607	0.9
123.04417	35.9
124.04747	1.5
127.03904	2.2
129.01854	2.0
133.02853	13.2
135.04404	1.5
137.02341	1.3
149.02348	2.4
151.03915	1.6
152.48907	0.7
153.09247	0.9
154.02571	0.9
155.03430	2.0
171.02895	1.4
173.04480	26.3
174.04784	0.8
177.01845	10.3
183.00151	0.7
191.05547	100.0
192.05876	6.0
195.02905	12.1
215.05539	2.0
238.58408	0.9
282.40286	0.7
283.76309	0.7
351.07242	1.8
369.08221	18.6
370.08600	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	367.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27998	0.5
59.01252	3.1
59.36886	0.6
69.52503	2.9
69.52927	1.3
72.49197	0.6
119.04916	0.8
121.02843	0.8
135.04344	0.6
143.52782	0.7
145.23862	0.6
147.04462	1.5
148.05200	100.0
149.05547	4.5
163.03902	6.4
163.07552	71.0
164.07901	3.4
205.05130	0.8
289.66443	0.7
381.37421	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	367.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
57.03320	1.0
59.01250	100.0
60.01585	1.6
69.03345	0.7
69.35249	5.6
71.01255	16.2
72.99142	0.8
73.02824	4.5
77.50301	0.6
83.01272	2.4
85.02821	6.7
87.00777	0.9
89.02314	3.6
93.13049	0.6
95.01273	1.3
95.29749	0.6
96.95908	0.6
97.02866	0.6
97.14194	0.6
99.00755	2.9
101.02325	13.7
101.02930	1.1
102.02635	0.6
104.04928	0.7
113.02325	6.7
119.03439	0.8
120.12275	0.6
125.02344	0.7
143.03394	1.2
148.03914	1.4
159.02959	2.2
160.01634	0.9
161.04469	16.8
175.03915	1.6
179.15393	0.6
192.03059	0.8
205.03523	1.0
307.10367	0.8
307.17630	19.1
307.21130	1.1
308.18051	2.1
329.39352	0.7
367.08450	1.7
367.21356	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.3
59.01247	2.7
60.99166	0.2
67.01761	0.8
69.03328	0.5
71.01247	1.2
71.29681	0.2
71.30016	0.3
71.56132	0.1
73.02848	0.7
75.61131	0.1
79.95608	0.3
81.03336	0.4
83.04908	0.3
85.02824	8.4
87.00755	2.4
93.03336	6.3
96.95882	1.2
97.02828	0.2
98.29526	0.2
99.00761	0.4
99.04413	0.4
102.83675	0.2
109.02837	0.8
111.04401	1.4
113.02373	0.2
117.03355	1.2
119.04917	0.2
127.03904	2.0
129.01849	0.2
134.03635	3.6
135.03984	0.2
137.02344	0.3
145.02858	4.9
147.03137	0.4
148.03972	0.2
155.03426	0.3
160.01573	0.6
163.03917	0.6
171.02936	0.5
173.04477	2.6
175.03850	0.8
187.03885	0.3
191.05539	100.0
192.05876	3.7
193.05023	1.5
211.64311	0.2
233.75430	0.2
258.29752	0.2
357.71323	0.2
366.78665	0.2
367.10370	1.8
368.10678	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	365.2695
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01740	1.0
56.67563	0.4
56.97043	0.4
59.01252	2.8
69.74380	2.3
71.04889	0.6
77.20850	0.4
82.61795	0.4
83.04898	0.5
87.00729	1.1
89.59635	0.4
105.01795	1.3
139.23203	0.4
141.02026	0.3
141.09052	0.4
155.14290	1.3
163.11182	0.6
165.12778	2.3
181.12239	1.3
199.13329	32.0
200.13644	1.6
204.13002	0.4
219.17424	0.4
277.21500	0.4
347.25894	5.3
365.26938	100.0
366.27307	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	367.1034
Annotation	5-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
52.26540	0.2
53.84500	0.2
57.03315	0.5
59.01242	2.2
60.99180	1.5
65.73945	0.2
67.01759	4.2
68.01614	0.2
69.03328	1.5
70.53976	0.2
70.82161	0.2
70.98054	0.4
71.01260	2.0
71.04869	0.2
73.02818	0.3
81.03336	0.9
83.04897	0.6
85.02820	4.8
87.00751	7.3
88.01090	0.2
93.03337	26.7
94.03671	0.8
99.00786	0.6
99.04374	0.6
109.02829	0.8
111.04399	4.2
113.02314	0.5
116.50747	0.2
117.03366	1.0
127.03921	1.2
129.01904	0.9
134.03633	11.8
135.04022	0.4
137.02357	0.3
143.03362	0.2
145.02769	0.2
147.03140	0.3
148.03838	0.2
149.06017	0.6
154.92986	0.2
155.03409	0.8
160.01622	0.4
164.57387	0.2
171.02998	0.3
173.04475	10.3
174.04851	0.5
175.03957	1.0
191.05540	100.0
192.05899	3.7
193.05005	5.1
207.39157	0.2
217.01289	0.2
241.86926	0.2
242.68251	0.2
247.06091	0.4
367.10355	4.1
368.10718	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46877	0.2
55.01745	1.1
57.03318	0.8
58.00482	0.3
59.01252	10.5
61.89505	0.2
69.03329	2.1
71.01254	7.3
72.99178	1.2
73.02818	3.2
75.00723	0.3
82.56026	0.2
83.01260	3.4
85.02818	5.8
85.99968	0.9
87.00755	0.8
89.02321	1.7
95.01249	0.9
96.62825	0.2
96.95885	0.8
97.02821	0.9
98.19807	0.7
99.00749	2.2
101.02323	9.8
111.00766	0.9
113.02342	3.5
115.07492	0.3
119.03393	0.3
125.02346	0.4
127.11119	0.5
129.01811	0.4
131.03488	0.3
135.04405	0.7
157.12260	3.3
159.02911	0.4
161.04482	0.7
179.03406	0.4
185.00826	0.8
185.11703	0.4
199.13362	0.4
203.01917	2.1
203.10925	0.3
203.12828	7.3
229.37614	0.4
260.51608	0.3
294.25183	0.2
310.84143	0.3
347.17081	1.7
365.18137	100.0
366.13831	0.4
366.18497	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	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57910	0.8
52.35045	0.7
58.30408	0.6
59.01239	5.8
60.77497	0.7
71.01263	0.9
87.00740	1.3
98.20557	2.2
105.01835	5.3
237.40984	0.8
277.21716	100.0
278.22055	9.5
283.26434	1.2
365.27054	4.6
366.27496	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	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
54.26103	0.5
59.01241	1.3
66.28388	0.4
70.25164	1.5
70.25543	0.9
85.06480	2.8
92.29663	0.4
99.54974	0.5
100.66945	0.4
101.50901	0.4
161.95860	0.4
199.13301	1.4
199.20793	0.4
219.17302	0.5
261.18704	0.9
279.16589	0.8
279.19650	17.5
280.19995	2.2
347.25937	6.2
348.26358	1.0
365.26962	100.0
366.27319	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58219	0.1
59.01251	100.0
60.01592	0.9
69.03331	0.2
71.01247	0.3
71.49612	0.2
73.02837	0.2
80.32314	0.1
87.92779	0.1
88.22543	0.2
89.02303	0.2
92.63469	0.2
93.65524	0.1
96.95913	0.4
101.02357	0.2
113.02341	0.3
144.83720	0.2
152.99579	0.2
195.12819	0.2
203.02007	0.3
263.15051	0.2
323.10706	0.2
350.09116	0.5
365.11572	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	1.2
60.57120	0.3
62.01802	0.2
69.29099	3.2
70.60418	0.3
98.19662	0.3
130.53273	0.3
154.17444	0.3
165.57320	0.3
255.30827	0.4
365.11368	0.8
368.20456	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30094	0.6
54.17165	0.7
55.01740	2.3
59.01251	93.1
60.01584	0.9
60.93493	0.8
67.01760	0.7
68.99677	0.9
69.03326	6.1
71.01259	15.1
71.49580	1.0
72.99156	1.3
73.02810	5.0
83.01259	3.9
85.02821	10.8
87.00756	3.2
89.02331	4.0
95.01237	1.9
97.02821	2.5
99.00745	2.3
101.02315	12.5
101.05961	100.0
102.06283	3.3
109.78213	0.8
111.00782	2.2
113.02327	9.3
119.03362	1.5
135.04396	2.1
136.31065	0.8
143.03406	1.3
157.01381	0.8
159.02910	1.4
161.04488	3.5
179.03313	1.9
185.00848	2.4
185.11728	2.7
196.51254	0.7
203.01923	9.2
205.07092	1.0
212.46696	0.7
263.07730	7.1
305.16064	7.2
305.94031	0.7
306.16516	0.9
333.12021	1.1
347.17108	5.2
365.14337	17.3
365.18216	82.2
366.14740	2.3
366.18542	6.5
373.38400	0.8
373.44138	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	365.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27103	0.7
52.11523	0.6
52.25148	0.6
55.01758	1.0
55.17840	0.6
57.03315	0.7
59.01250	55.4
67.01767	0.9
68.99679	1.2
69.03335	4.7
70.51907	2.2
71.01253	9.4
72.99187	1.1
73.02815	2.8
83.01252	2.9
85.02823	8.6
87.00757	1.7
89.02309	2.6
95.01261	1.9
97.02847	2.3
99.00745	2.3
101.02326	9.3
101.05961	100.0
102.06286	2.6
111.00720	1.0
113.02351	6.2
119.03458	0.9
129.01785	1.3
135.04442	1.5
139.00246	0.8
151.79681	0.8
161.04459	1.8
179.03439	1.3
185.00848	1.6
185.11816	0.7
203.01981	4.7
204.07373	0.7
211.86183	0.7
263.07648	4.7
264.08371	0.7
269.84943	0.7
305.16101	3.6
333.12021	1.2
347.17108	2.3
365.14349	15.9
365.18201	40.7
366.14767	1.1
366.18625	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41453	0.7
59.01250	100.0
60.01587	1.2
71.07388	1.7
75.62222	0.8
85.02887	0.8
96.40092	0.7
161.32886	0.8
306.13464	2.1
323.02429	0.7
332.48080	1.0
366.15540	1.9
374.82578	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03320	2.0
58.00468	0.6
59.01250	12.2
67.01750	0.7
68.28471	0.3
68.99685	1.0
69.03316	0.8
69.40951	2.0
71.01251	12.5
72.01581	0.4
72.99187	3.8
73.02818	0.8
74.37878	0.2
75.00745	15.3
81.03312	0.4
83.01245	0.5
84.02045	0.2
85.02824	14.5
87.00750	5.7
89.02320	3.2
91.07807	0.3
93.03326	0.5
95.01270	3.7
98.21221	0.2
99.00755	8.1
101.02316	0.5
103.00233	1.7
111.00820	0.6
113.02330	19.4
114.02637	0.4
115.00277	1.8
115.07533	100.0
116.07862	3.6
117.01820	2.4
129.01823	1.7
139.00206	0.4
157.01312	0.9
175.02351	2.0
189.04008	0.5
203.01881	0.3
205.07153	0.6
223.08347	0.3
231.05035	2.5
231.55963	0.2
232.05605	0.3
249.06137	13.5
250.06436	0.6
263.90857	0.2
264.69159	0.3
267.07227	2.1
284.30264	0.3
297.24426	0.2
305.12430	0.8
312.89203	0.3
347.13470	2.2
365.14481	54.0
366.14780	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28675	0.4
55.01762	0.9
57.03318	2.1
58.00478	0.6
59.01251	16.1
64.99834	0.5
67.01749	0.9
68.99699	1.0
69.03320	1.6
69.70084	0.5
70.09081	0.5
70.35616	1.1
71.01250	15.0
72.99181	5.1
73.02811	1.4
75.00746	15.0
81.27840	0.4
82.71027	0.5
83.01260	0.9
85.02825	17.2
87.00753	6.2
89.02315	5.0
90.99049	0.5
95.01258	3.6
96.95899	0.6
97.02821	0.8
99.00751	8.9
101.02341	1.3
103.00246	1.9
111.00778	0.6
113.02332	19.0
114.02660	0.7
115.00265	2.1
115.07532	100.0
116.07847	3.0
117.01845	3.0
125.75363	0.5
129.01830	1.3
135.04387	0.6
147.03090	0.7
157.01413	0.6
161.04478	0.6
162.05508	0.9
175.02431	2.6
185.11751	0.7
203.01935	1.4
231.05113	2.3
249.06123	16.4
250.06694	0.6
267.07193	3.7
305.12335	0.9
347.13382	2.9
365.14468	64.7
365.18018	3.6
366.14841	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99385	0.5
57.03316	2.0
58.00444	0.7
58.97943	0.6
59.01251	16.6
62.47767	0.5
62.72576	0.6
68.99674	1.3
69.03313	3.4
69.49157	4.9
71.01254	14.2
72.99170	2.9
73.02804	1.5
75.00747	14.0
83.01290	0.7
85.02822	18.4
86.03137	0.7
87.00745	6.3
89.02312	4.3
95.01264	3.8
96.95912	1.0
97.02821	1.4
97.38773	0.6
99.00752	9.2
101.02319	1.0
101.19535	0.6
103.00256	1.7
113.02332	21.3
114.02769	0.6
115.00220	1.9
115.07529	100.0
116.07872	3.4
117.01827	2.5
119.03417	0.6
129.01862	1.3
135.04419	1.2
157.01343	1.0
175.00885	0.7
175.02382	2.6
185.00760	0.7
185.11748	1.0
203.01888	2.7
205.07120	0.9
231.05058	2.2
238.30571	0.7
249.06085	15.4
267.07132	3.1
305.12408	0.8
347.13538	1.9
365.14465	62.2
365.18091	3.3
366.14746	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	365.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.0
57.03312	0.8
59.01252	4.0
59.15584	0.4
61.30342	0.4
65.27312	0.4
65.54543	0.4
67.01756	0.4
69.03325	60.7
70.03677	1.2
71.01254	9.8
72.66064	0.4
72.88139	0.5
72.99177	3.2
73.02805	0.5
75.00759	0.7
76.30475	0.4
79.01776	1.4
83.01262	0.6
85.02814	2.9
87.00742	2.5
94.14777	0.5
95.01268	2.8
97.02829	24.4
98.03162	0.5
98.19813	1.4
99.00753	12.4
101.02318	1.3
101.05999	2.1
111.00735	0.8
113.02342	1.3
115.00250	2.0
115.03900	0.8
121.08936	0.4
123.00740	1.9
129.01869	1.0
134.03664	1.0
135.04414	20.7
136.04803	0.9
141.01842	6.7
154.37077	0.4
159.02924	0.9
174.38371	0.4
179.01846	0.9
179.03427	18.3
180.03835	0.7
181.47531	0.4
185.00836	21.4
186.01251	0.7
194.08794	0.4
203.01904	100.0
204.02248	3.3
249.06152	0.9
347.16913	0.9
365.05145	1.1
365.10754	0.5
365.14450	0.3
365.18134	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	365.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74990	0.8
53.78859	0.9
55.01753	2.5
57.03324	0.8
59.01236	5.6
64.30919	0.8
69.03326	72.2
70.03662	2.0
71.01252	12.1
71.29307	2.0
71.75763	0.8
72.99175	2.9
79.01784	2.0
83.01300	0.8
85.02816	3.6
87.00732	4.2
89.02323	1.4
95.01263	3.2
96.95882	1.7
97.02827	35.1
98.03188	0.8
99.00758	14.8
99.26833	0.8
99.61428	0.8
101.02335	2.0
111.00765	1.5
113.02317	2.0
115.00254	3.2
129.01884	1.2
134.03679	1.0
135.04416	24.8
141.01840	9.3
179.03418	26.1
185.00838	50.2
186.01215	2.2
203.01913	100.0
204.02271	3.7
239.76926	0.9
365.05106	2.7
365.17932	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01579	1.6
60.64069	0.4
81.45968	0.4
93.85125	0.3
98.20598	1.5
110.50542	0.4
180.45543	0.4
230.46045	0.6
271.19232	0.4
345.06082	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
59.01252	100.0
60.01585	1.2
61.98716	0.6
68.10458	0.4
71.01267	1.9
71.49726	0.7
73.02843	0.5
73.80217	0.4
79.80402	0.4
85.02840	0.8
87.00756	0.8
89.02320	1.1
96.95908	1.7
99.00709	0.5
101.02336	1.3
110.59401	0.6
113.02335	1.5
113.05993	0.8
115.07566	1.4
133.36519	0.5
146.26045	0.5
152.07130	1.4
161.04430	0.6
162.01923	0.5
183.10252	0.5
200.23621	0.5
204.85484	0.4
214.27800	0.5
240.30681	0.4
287.10510	1.1
316.28946	0.5
363.12656	0.9
363.16748	1.7
363.23831	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	1.2
69.03323	0.9
69.72589	2.8
71.01256	1.9
75.00752	0.6
85.02827	0.6
89.02351	0.5
96.95925	0.7
99.00721	0.6
101.02343	0.9
113.02361	1.5
113.05969	0.5
116.12192	0.4
133.02820	0.5
158.03593	0.4
216.42264	0.5
260.83386	0.4
303.14618	0.5
321.15668	1.0
363.16754	0.7
364.18787	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	365.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02236	0.4
53.88059	0.3
55.01759	1.4
61.01497	0.3
67.01749	0.4
69.03323	39.6
70.03652	1.1
70.25471	0.9
70.25865	0.6
71.01244	3.0
72.99180	1.6
79.01748	1.8
83.01253	0.4
85.02820	1.7
87.00748	1.1
95.01270	1.2
97.02824	16.4
98.20615	0.4
99.00757	8.8
101.06215	0.3
113.02309	0.3
115.00252	1.5
123.00756	0.9
129.01833	0.6
135.04413	10.8
136.04733	0.5
141.01828	7.9
174.02339	0.3
179.03413	17.1
180.03833	0.5
185.00838	22.6
186.01207	1.1
203.01906	100.0
204.02232	4.1
275.13837	0.4
365.05206	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01594	1.3
65.57872	0.3
70.90577	0.8
76.99689	0.3
78.91039	0.3
89.02319	0.3
92.99504	0.3
123.28395	0.3
201.11342	0.5
210.14938	0.3
322.12912	0.4
360.14441	0.4
371.39981	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.3
56.19358	0.4
57.03320	1.0
58.00464	0.6
59.00962	0.7
59.01249	12.2
59.65181	0.4
66.98470	0.4
69.03326	0.7
69.54294	2.3
71.01252	14.1
71.68842	0.4
72.99178	1.6
73.02817	2.9
74.02348	0.8
83.01251	3.3
84.36776	0.3
85.02821	5.3
85.26610	0.4
87.00751	1.3
89.02306	1.4
95.01264	0.7
96.95831	0.4
98.20520	0.8
99.00755	1.1
101.02323	6.8
102.57040	0.4
111.00782	0.8
112.01557	0.5
113.02335	2.9
119.03379	0.5
121.02800	0.4
124.01606	0.4
125.02325	0.9
129.63306	0.3
153.12730	1.6
153.78662	0.4
181.12306	0.5
199.13333	21.1
200.13670	1.1
211.13297	1.5
224.19250	0.4
241.14284	0.4
314.81204	0.4
315.14905	0.4
316.89349	0.4
328.13239	0.4
340.83429	0.4
343.17538	3.0
361.18671	100.0
362.19067	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	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64839	1.0
59.01250	100.0
66.31721	0.8
70.84517	1.3
70.84867	2.0
89.02338	1.1
99.44117	1.0
140.07068	70.7
141.07373	3.0
201.01521	1.2
266.30344	1.0
302.12372	1.3
307.23892	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	362.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15836	0.6
57.03325	2.9
67.01775	1.4
69.39824	1.9
69.40240	3.8
69.43462	0.7
74.03059	0.7
79.90508	0.6
85.02826	15.9
85.03304	1.3
87.00752	26.1
92.72786	0.6
98.20567	1.6
99.05475	0.7
111.00768	93.1
112.01104	2.4
115.00263	4.0
129.01855	5.0
133.01335	8.1
173.00842	5.5
191.01903	100.0
192.02274	2.7
232.22604	0.6
239.96608	0.7
363.07367	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	363.1296
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.33241	0.9
57.03313	3.3
58.34720	1.1
59.01246	23.5
59.24444	0.9
65.09193	1.1
67.01731	1.5
67.49998	1.1
68.18992	0.9
68.99680	1.7
69.03333	1.4
69.09589	1.0
69.13363	1.1
71.01251	22.7
72.99168	5.8
73.02814	2.0
75.00744	27.5
85.02821	30.6
87.00745	10.4
89.02306	6.5
93.03385	1.1
95.01268	7.6
95.04875	1.3
98.19691	2.1
99.00755	13.6
101.46984	1.0
103.00235	4.3
103.61035	1.0
105.10280	0.9
113.01525	1.8
113.02330	46.3
113.05965	61.4
114.02644	1.4
114.06303	2.6
115.00214	2.0
117.01828	5.3
129.01822	2.8
133.02867	1.1
157.01302	1.8
161.04431	1.1
175.02385	3.3
189.04013	1.0
205.07117	3.4
209.71701	0.9
223.08200	1.8
231.05038	3.7
244.55664	1.0
249.06131	48.3
250.06462	1.9
267.07193	100.0
268.07544	4.9
287.71005	1.2
303.10782	1.4
345.11978	1.3
363.12943	88.0
364.13312	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	363.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
57.03322	4.1
58.00451	0.9
59.01249	28.9
67.01736	1.0
68.99690	0.8
69.03310	3.1
69.66000	4.8
71.01252	35.3
72.99175	5.9
73.02819	3.0
75.00748	20.5
76.01045	0.7
83.01263	1.9
83.04906	0.8
85.02820	34.7
87.00752	12.6
87.04372	0.7
89.02320	13.2
94.42188	0.7
95.01244	6.1
95.04906	1.5
97.02794	0.9
99.00756	13.0
101.02319	4.8
103.00234	3.3
104.64824	0.7
111.00710	0.7
112.01539	1.2
113.02330	42.9
113.05177	1.5
113.05970	29.3
114.02684	0.9
115.00242	2.1
117.01816	4.7
117.96799	0.8
119.03407	1.4
121.10115	0.9
129.01790	2.5
130.08630	1.2
139.11195	0.9
149.04396	1.2
164.07048	0.8
175.02368	2.8
183.10175	3.2
185.00853	1.0
201.11264	2.1
205.07109	2.8
207.05049	1.3
223.08167	1.7
249.06123	13.1
267.07190	100.0
268.07568	5.2
300.03217	0.8
345.11475	0.8
348.13950	0.7
363.12848	38.4
363.16931	27.0
364.13147	3.0
364.17813	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03316	1.7
58.00465	0.7
59.01255	16.1
59.84533	0.5
67.57104	0.5
69.03316	0.6
69.38126	0.5
71.01253	15.4
72.99187	1.0
73.02827	2.5
74.02361	3.5
75.02681	0.8
78.95732	0.6
83.01256	2.9
85.02825	5.5
85.99959	0.6
87.00738	1.4
89.02328	3.1
95.01251	1.0
96.95853	0.9
99.00735	1.6
101.02315	6.0
101.05953	0.5
111.00737	1.0
113.02331	3.4
115.00177	0.6
116.62912	0.5
119.03383	1.2
126.77878	0.5
138.05563	0.7
139.11183	1.0
153.12689	1.3
181.12263	2.1
190.04973	0.8
199.13330	15.3
200.13632	1.5
204.06512	0.9
211.13393	2.6
214.85637	0.5
233.12114	0.8
301.20206	0.7
319.21219	2.3
343.13596	0.7
343.17499	2.6
361.18661	100.0
362.19067	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	361.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03316	1.7
58.00465	0.7
59.01255	16.1
59.84533	0.5
67.57104	0.5
69.03316	0.6
69.38126	0.5
71.01253	15.4
72.99187	1.0
73.02827	2.5
74.02361	3.5
75.02681	0.8
78.95732	0.6
83.01256	2.9
85.02825	5.5
85.99959	0.6
87.00738	1.4
89.02328	3.1
95.01251	1.0
96.95853	0.9
99.00735	1.6
101.02315	6.0
101.05953	0.5
111.00737	1.0
113.02331	3.4
115.00177	0.6
116.62912	0.5
119.03383	1.2
126.77878	0.5
138.05563	0.7
139.11183	1.0
153.12689	1.3
181.12263	2.1
190.04973	0.8
199.13330	15.3
200.13632	1.5
204.06512	0.9
211.13393	2.6
214.85637	0.5
233.12114	0.8
301.20206	0.7
319.21219	2.3
343.13596	0.7
343.17499	2.6
361.18661	100.0
362.19067	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	361.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24001	1.5
59.01251	15.2
61.63619	1.1
66.92024	1.5
70.34406	1.2
71.01244	5.1
71.49255	1.7
73.02811	2.7
79.08459	1.5
85.02848	1.9
89.02307	1.7
99.00745	1.8
101.02303	3.7
110.05996	4.5
113.02287	2.1
116.04969	1.7
119.03696	1.7
121.01299	1.3
122.05996	18.3
125.17098	1.3
132.04424	4.2
134.05983	2.1
138.05508	4.1
139.05850	2.1
144.04408	5.3
145.05208	14.0
146.06036	8.9
147.03113	1.5
148.03918	3.4
152.03467	1.4
159.03178	5.4
160.03944	56.9
161.04727	28.1
162.05368	5.7
164.03421	3.0
175.02655	2.6
176.03435	14.6
177.04248	11.2
185.08182	1.6
188.03406	4.1
189.04236	76.3
190.04915	6.4
192.02946	4.1
193.03734	20.4
194.04039	1.9
203.05771	2.3
205.40654	1.3
221.03276	21.2
221.06801	21.3
231.11327	4.7
243.11420	6.7
246.68011	1.5
253.05830	7.9
255.11368	19.4
256.11694	2.1
267.11377	37.5
268.11722	2.0
271.10852	2.7
275.14999	2.0
283.10938	2.7
285.12585	6.6
299.10284	14.2
311.10333	42.2
312.10626	4.6
329.11475	17.1
330.11722	2.4
331.12973	24.1
332.13208	2.7
343.12958	100.0
344.13199	11.1
356.42343	1.4
361.09717	1.5
361.14160	27.2
361.22250	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	361.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24001	1.5
59.01251	15.2
61.63619	1.1
66.92024	1.5
70.34406	1.2
71.01244	5.1
71.49255	1.7
73.02811	2.7
79.08459	1.5
85.02848	1.9
89.02307	1.7
99.00745	1.8
101.02303	3.7
110.05996	4.5
113.02287	2.1
116.04969	1.7
119.03696	1.7
121.01299	1.3
122.05996	18.3
125.17098	1.3
132.04424	4.2
134.05983	2.1
138.05508	4.1
139.05850	2.1
144.04408	5.3
145.05208	14.0
146.06036	8.9
147.03113	1.5
148.03918	3.4
152.03467	1.4
159.03178	5.4
160.03944	56.9
161.04727	28.1
162.05368	5.7
164.03421	3.0
175.02655	2.6
176.03435	14.6
177.04248	11.2
185.08182	1.6
188.03406	4.1
189.04236	76.3
190.04915	6.4
192.02946	4.1
193.03734	20.4
194.04039	1.9
203.05771	2.3
205.40654	1.3
221.03276	21.2
221.06801	21.3
231.11327	4.7
243.11420	6.7
246.68011	1.5
253.05830	7.9
255.11368	19.4
256.11694	2.1
267.11377	37.5
268.11722	2.0
271.10852	2.7
275.14999	2.0
283.10938	2.7
285.12585	6.6
299.10284	14.2
311.10333	42.2
312.10626	4.6
329.11475	17.1
330.11722	2.4
331.12973	24.1
332.13208	2.7
343.12958	100.0
344.13199	11.1
356.42343	1.4
361.09717	1.5
361.14160	27.2
361.22250	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	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66819	3.4
59.01250	100.0
62.32351	3.6
62.53806	3.4
69.83638	19.6
71.01271	10.7
74.35375	3.9
79.95610	7.9
89.02288	6.1
96.95893	55.6
101.02364	3.9
120.24291	4.0
123.03176	4.1
134.03690	4.7
138.05502	65.1
142.56914	3.6
143.77391	3.5
145.02802	4.7
148.04205	5.6
148.13503	4.1
166.08627	11.2
181.08659	3.9
193.04968	5.0
226.08192	9.1
300.10849	33.8
360.19745	5.8
361.05969	23.5
361.15118	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	361.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93044	0.8
52.95775	0.9
59.01244	4.6
67.01775	1.1
70.62294	1.0
70.62614	1.9
71.01248	2.3
85.02819	1.2
87.00804	1.3
89.02338	1.9
101.02318	2.7
109.02848	2.0
113.02328	1.7
121.02850	3.6
122.06035	2.5
131.95299	0.9
132.31258	0.8
135.04369	1.1
145.05246	1.2
146.06047	0.9
146.35072	0.8
148.03798	1.1
160.03931	7.5
161.02344	1.0
161.04684	3.5
164.03465	5.0
176.03415	1.4
176.04799	0.9
177.04205	2.0
185.06044	1.6
185.61682	1.0
189.04237	10.6
190.05011	1.2
193.03743	2.9
197.05946	1.2
209.06064	2.0
211.03940	3.7
212.04762	4.9
213.05415	1.8
221.03249	3.3
221.06805	2.4
225.05510	2.5
227.07104	4.9
237.05492	6.2
239.03532	5.4
240.04237	71.6
241.04619	7.2
243.11398	1.5
253.05431	2.1
254.05867	3.6
255.06612	19.9
255.11122	1.7
256.07019	1.9
265.05081	9.0
267.11340	5.1
269.08124	4.9
270.05859	1.2
270.08875	7.9
283.06125	33.5
284.06528	4.4
285.12384	2.0
297.07803	1.4
298.08456	59.5
299.08960	5.1
301.10995	1.7
311.10413	5.5
313.10806	100.0
314.11148	9.4
328.09634	1.2
329.11346	4.0
331.13113	1.4
343.12930	15.8
346.10492	0.9
361.13071	11.5
362.13544	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	361.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.0
59.01249	37.0
63.27239	2.2
66.36118	1.9
67.18540	2.0
69.21957	2.8
69.71918	14.4
69.76234	2.5
71.01258	23.5
71.47597	2.1
72.99182	2.8
73.02809	5.2
77.54454	2.0
83.01311	2.1
85.02818	6.2
87.00771	3.5
89.02324	6.3
95.04942	2.2
99.06161	2.2
101.02314	7.1
106.73694	2.2
110.06013	9.3
113.02338	8.1
115.00245	14.8
118.06534	3.1
119.03429	2.1
122.05982	19.8
133.01331	35.6
135.08057	2.8
137.09621	17.2
145.05251	20.7
146.06015	21.3
148.03940	5.8
148.12576	2.3
155.10689	59.1
156.11086	2.4
159.03175	7.3
160.03929	17.9
161.04645	5.4
162.05482	4.6
174.01901	2.9
176.03438	10.9
177.04236	15.0
189.04233	22.3
190.04964	4.2
199.09691	45.1
201.11305	9.9
203.05644	2.4
216.98463	2.3
221.03207	2.6
221.06902	2.8
223.09679	4.9
225.06656	6.4
227.12976	2.3
228.10129	2.8
231.11438	2.7
236.57782	2.3
243.11371	3.5
255.11389	28.8
261.12515	4.7
267.11386	40.4
285.12442	56.1
299.10449	8.4
301.11746	2.8
302.70340	2.5
311.10303	13.5
317.11328	2.5
317.15424	2.8
319.21335	3.9
321.27847	3.2
329.11407	100.0
330.11774	8.6
331.13113	9.3
343.12952	30.9
344.13437	4.4
361.14163	100.0
361.18362	7.6
361.22049	20.9
362.14523	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	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.0
59.01246	2.5
60.77288	0.6
63.16846	0.5
67.01782	1.1
69.03325	100.0
69.35307	4.7
70.03644	1.6
71.01260	1.8
72.99191	2.3
79.01764	1.2
80.79848	0.6
85.02834	1.8
85.66563	0.6
89.02299	0.5
95.01279	2.8
97.02826	17.5
98.19799	0.7
99.00753	24.6
101.02322	0.6
113.02344	1.2
119.30808	0.5
123.00761	0.8
135.04427	0.6
141.01837	6.6
148.03935	0.8
149.04280	0.5
153.01848	0.8
160.01591	0.6
161.02335	1.5
162.02684	1.6
163.06299	0.7
171.10161	0.6
173.11765	5.5
185.00835	51.6
186.01186	1.6
289.44516	0.5
299.18723	2.6
307.99515	0.6
317.19827	2.4
341.12286	4.2
359.08966	1.0
359.13412	11.9
359.20749	1.4
360.14053	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	359.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95432	0.6
55.01756	1.6
57.03315	1.2
58.00476	4.9
59.01251	100.0
60.01601	0.9
69.03321	12.1
70.28530	1.2
70.28924	1.8
71.01252	66.9
72.01604	0.9
72.99185	5.6
73.02832	1.9
83.01247	3.6
84.09844	0.7
85.02824	13.6
85.03304	1.1
87.00764	3.4
87.04430	0.8
89.02317	64.7
90.02654	1.5
93.03345	1.5
94.76695	0.6
95.01250	5.1
97.02857	2.6
98.20384	0.9
99.00768	4.0
101.02322	50.9
113.02329	23.7
119.03384	36.6
121.02865	0.7
125.02343	0.8
131.03409	3.0
134.03627	0.7
135.04385	1.6
143.03368	3.8
149.02330	1.0
149.04498	2.3
153.01851	1.4
160.03931	1.1
161.02357	2.9
161.04495	1.8
164.85623	0.6
179.03435	1.0
179.05556	3.1
179.10675	9.3
185.00812	6.4
191.01460	0.7
191.05574	3.6
197.11722	1.8
213.09703	0.7
247.82411	0.7
253.09679	0.7
271.98608	0.6
299.18625	2.0
317.19659	2.6
341.11322	1.1
359.13269	2.3
359.17081	42.4
359.20743	3.3
360.17389	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	359.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12730	0.8
59.00957	1.5
59.01252	27.7
69.79733	1.6
69.80134	3.8
97.20486	0.7
148.86923	0.8
166.06242	1.2
174.94157	0.7
189.90076	0.8
259.20715	1.0
277.21722	100.0
278.22092	8.3
344.12729	0.9
359.07788	0.8
359.15207	1.0
359.22034	19.1
359.26291	1.7
360.22348	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	359.0773
Annotation	Rosmarinate
Peak:m/z	Relative Intensity
50.94817	0.3
54.55427	0.3
59.01237	0.7
70.54984	1.1
72.99178	17.1
79.55790	0.3
107.04881	0.4
109.02835	1.2
123.04402	6.9
132.02023	0.8
133.02849	21.7
134.03612	1.4
135.04416	18.9
135.05463	0.7
136.04723	0.8
148.03935	0.8
149.04591	0.6
150.05124	0.6
151.03958	0.6
153.53281	0.3
157.82306	0.3
161.02348	100.0
162.02681	5.6
163.06374	0.5
164.06618	0.3
173.04515	0.6
179.03415	13.5
180.03734	0.9
197.04491	26.3
198.04803	1.2
218.16074	0.3
317.19492	0.3
341.12155	4.4
359.07849	2.1
359.14948	0.7
359.20654	0.7
362.95706	0.4
365.70923	0.4
367.81830	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	359.1136
Annotation	Gibberellin A59
Peak:m/z	Relative Intensity
59.01252	9.5
60.40849	2.2
61.98714	2.6
64.25639	2.1
69.34323	13.7
69.34750	7.8
82.12270	2.5
82.52470	2.1
93.03320	14.3
96.95897	3.0
107.04907	100.0
109.99994	10.2
117.03345	7.2
117.14496	2.3
119.04906	25.3
125.02331	7.9
131.04903	2.8
133.02792	17.0
134.03217	2.2
135.04431	3.2
137.99472	9.9
145.02844	3.9
147.04437	6.2
151.03903	3.8
152.01018	2.8
153.01837	89.6
161.02428	2.3
164.01180	2.5
164.98074	2.6
165.98959	10.4
167.03398	5.5
168.04193	51.6
175.03914	3.9
180.00551	8.0
181.01334	10.5
183.06546	24.0
193.01273	3.5
194.02153	2.7
195.02902	24.8
210.05304	13.1
217.00325	3.3
223.02417	21.5
225.05428	2.3
225.07678	7.2
237.03902	2.6
238.04755	6.6
249.53464	2.2
253.07172	17.5
284.03262	11.8
293.21744	2.3
297.04083	19.3
299.05579	19.7
301.07364	2.8
311.05627	9.6
312.06415	20.5
313.06827	2.9
314.08002	6.3
326.07968	5.5
327.08679	22.8
329.06610	55.6
329.10336	35.4
330.10641	4.9
341.10403	8.1
344.08981	43.0
345.09491	5.5
359.11353	57.1
359.15472	4.8
360.11774	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	358.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62128	0.4
59.01234	1.3
60.62198	0.4
69.60680	1.2
69.61105	1.6
72.99174	8.5
86.93069	0.3
92.04928	0.7
104.18081	0.4
105.03335	0.6
106.02841	0.4
107.04896	0.5
108.02029	2.0
108.08065	13.0
109.02844	1.9
109.08461	0.6
114.75768	0.4
117.03342	1.1
120.04463	0.9
120.08054	0.5
121.02821	0.7
122.03608	0.5
123.04400	5.5
130.08621	0.4
132.02084	2.7
133.02849	17.9
134.03642	13.8
134.68784	0.4
135.04422	12.2
136.01559	1.8
137.02330	0.6
139.03853	0.5
145.02829	0.5
147.03212	0.8
147.04431	1.4
148.03963	37.5
148.05182	6.2
149.04710	18.5
149.05975	5.7
150.05067	0.8
151.03954	1.8
152.07071	11.1
152.08240	0.8
153.01913	0.4
153.07454	0.4
159.04440	0.6
160.01561	11.8
161.02348	100.0
162.02682	2.7
163.06290	25.7
164.06877	1.7
166.08621	2.1
175.02640	1.3
175.03932	11.9
179.03419	7.0
190.04985	3.7
194.02171	0.5
194.08205	1.0
196.06088	8.4
196.07869	0.6
197.02673	0.6
197.04485	9.5
197.06226	0.8
204.16716	0.4
234.07706	0.9
238.07112	1.3
239.07335	0.5
267.06677	1.6
282.08923	2.6
298.09268	0.8
309.34598	0.4
317.19611	0.5
325.09515	8.5
326.09875	0.7
340.11868	79.6
341.12244	8.9
358.13025	5.4
359.07874	1.3
359.13553	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	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01592	1.1
71.01260	7.8
71.49655	0.6
73.02824	3.7
74.02349	0.8
83.01290	1.4
83.94145	0.7
85.02827	1.0
88.79498	0.6
89.02332	2.3
96.95939	1.2
101.02315	4.5
113.02350	1.9
113.50668	0.8
121.02842	43.4
122.03174	0.8
125.02341	0.8
132.14651	0.6
135.04468	0.7
180.05736	1.0
181.06508	3.3
217.34991	0.7
225.05519	3.7
253.18135	0.9
313.07364	3.0
357.06058	10.8
357.09827	1.3
357.26718	1.4
358.06589	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	358.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	13.4
60.03585	1.2
61.23851	1.2
61.24159	1.3
71.49817	2.1
83.01233	1.5
85.02873	1.3
96.95886	1.7
99.04401	2.2
101.02339	4.3
107.04905	1.5
109.02845	2.0
116.07071	4.2
121.02775	1.7
123.04414	6.1
132.02095	2.8
133.02843	5.9
134.03639	17.7
135.04427	17.5
137.02330	1.6
146.03569	1.3
148.03937	14.2
149.04752	74.1
149.05971	12.8
150.05498	20.0
159.04456	1.7
160.01556	14.3
161.02345	39.4
175.03911	18.3
176.03348	14.5
190.04819	1.6
192.06636	4.0
207.41727	1.4
238.21541	1.3
254.17630	1.6
273.86215	1.4
283.09766	3.2
298.16556	2.1
311.07541	2.0
316.17365	1.8
326.10315	100.0
327.10620	10.5
358.22446	10.6
359.20941	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20833	0.5
59.01251	100.0
60.01595	1.2
70.51380	1.1
70.51781	1.0
71.01253	8.1
73.02828	1.7
83.01290	0.6
85.02826	2.9
89.02313	1.2
90.80064	0.5
95.01298	0.9
99.00759	1.1
101.02315	4.6
113.02302	3.3
139.07306	0.6
150.66653	0.6
159.03000	0.6
161.04451	4.3
177.20824	0.5
179.03578	0.6
228.36647	0.6
251.15234	0.6
265.11612	0.5
296.37616	0.5
315.18039	0.9
346.33737	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	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20480	0.3
54.03216	0.4
58.02845	1.2
59.01245	0.9
61.98740	0.3
65.37219	0.3
69.03329	1.5
70.71808	0.3
71.01258	0.7
71.49185	0.5
73.37431	0.3
74.38779	0.3
84.48615	0.2
85.02836	0.5
89.02323	0.4
93.03352	0.4
102.35667	0.3
107.08553	0.5
109.02811	0.6
119.08524	0.5
121.02837	0.7
124.01553	2.3
128.10699	3.2
130.08627	100.0
131.08978	3.0
133.02863	0.4
138.03119	0.7
139.03905	3.0
145.02859	0.9
145.10124	4.0
146.08102	0.4
146.10429	0.3
149.02333	3.5
151.03879	0.7
153.05463	0.6
160.01553	0.9
161.02405	0.9
163.11136	0.4
164.04672	0.6
165.04201	0.5
173.02335	1.1
174.03131	0.9
175.03966	0.6
181.97211	0.3
183.45261	0.3
185.00897	0.5
189.05563	0.5
195.06541	0.4
197.05934	0.6
202.05109	0.4
213.05466	0.6
223.04019	0.5
225.05460	0.8
228.07692	0.5
239.07021	0.5
240.04285	0.6
241.05029	2.5
251.03497	0.8
253.05000	1.3
255.06590	1.7
256.07248	0.5
258.18649	0.9
269.04526	6.5
281.04593	0.3
283.06119	1.0
284.06967	1.5
295.06180	0.4
297.03998	7.6
299.09195	1.0
307.53342	0.3
309.07706	1.0
312.06369	8.3
320.18710	0.3
327.08719	12.0
341.09158	0.5
342.11057	19.1
356.11832	2.0
356.20761	71.3
357.13477	19.2
357.20859	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	357.119
Annotation	Synargentolide D
Peak:m/z	Relative Intensity
55.01746	1.6
59.01247	87.3
68.01485	1.4
69.03336	1.5
71.01250	62.6
71.06292	3.0
72.99177	3.3
73.02817	60.6
74.02330	1.6
83.01257	17.9
85.02821	7.5
87.00745	2.3
89.02309	20.8
95.01294	2.6
97.02849	1.5
99.90305	1.6
101.02314	50.3
104.34074	1.4
107.04832	1.5
113.02335	21.7
119.03402	8.9
123.04401	53.6
125.02367	1.4
131.03378	3.4
134.03476	1.3
135.04411	100.0
136.04729	4.9
143.03354	3.0
151.03931	17.1
153.05476	64.8
154.05803	4.1
161.04454	3.4
165.34233	1.5
195.02840	1.8
195.06624	1.6
297.06494	2.5
297.09778	35.6
298.10120	2.6
298.22375	1.3
315.10840	83.6
316.11087	8.2
357.07977	2.7
357.11884	34.1
358.12302	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	356.0987
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01249	2.3
70.63475	1.0
71.01252	1.5
75.31673	0.3
76.88558	0.3
78.19547	0.3
80.04919	0.5
85.02839	0.9
85.47947	0.3
87.00749	0.4
89.02340	0.5
96.95893	0.8
100.08479	0.3
101.02322	0.7
101.65740	0.3
106.06506	100.0
107.06849	3.0
108.08074	6.9
109.06458	0.3
113.02329	1.8
117.92378	0.4
118.06499	1.1
120.08052	0.8
130.06540	0.6
130.08626	10.4
131.03671	1.5
131.08963	0.4
132.04453	0.4
134.05983	0.7
135.04474	0.4
136.07600	0.5
146.06010	0.9
147.04443	0.4
148.58359	0.3
150.05511	54.6
151.03897	0.4
151.05899	1.7
162.05609	0.4
164.07088	9.8
164.70615	0.3
165.07375	0.4
174.05550	1.0
192.06580	8.1
193.06897	0.3
194.04512	27.0
195.04877	1.6
199.18092	0.6
212.43466	0.3
223.13388	0.8
236.05576	4.0
251.12860	0.5
254.09447	0.4
266.06607	0.5
292.17169	0.3
295.11777	0.5
296.07761	2.5
312.26596	0.5
356.09842	7.7
356.20789	5.5
356.25638	1.9
357.10220	0.3
357.21341	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	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74731	6.7
59.01247	14.4
61.98699	100.0
69.65299	26.3
69.65710	16.1
79.95580	6.9
92.84858	7.9
96.95903	23.0
98.19852	7.0
100.99984	6.6
121.02801	25.0
135.04388	9.0
209.01794	7.2
209.23834	7.7
313.10358	25.7
313.60590	8.0
357.06064	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.2
61.98700	0.4
69.61891	3.4
71.01259	3.9
85.02817	1.2
89.02296	2.2
95.01273	0.6
101.02314	1.8
105.28044	0.5
105.50879	0.5
107.28397	0.4
107.67780	0.5
113.02315	2.3
113.03015	0.5
117.03359	0.7
119.03375	1.2
125.02362	0.4
132.01062	0.6
132.02057	10.7
133.02371	0.7
134.03630	7.9
142.18248	0.4
149.05975	1.6
151.03912	2.0
160.01567	56.8
161.01888	2.3
175.03918	100.0
176.04279	5.7
191.07086	2.0
193.04997	18.3
193.89311	0.5
194.05388	0.7
202.02551	0.6
217.04994	6.1
227.87511	0.5
235.06128	3.3
257.14291	0.6
265.07239	0.9
295.08075	1.3
355.10355	5.3
356.11118	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01240	1.0
62.45531	0.9
62.98277	0.8
70.26616	3.2
70.55567	0.9
71.01250	1.0
85.02837	2.7
101.05962	1.9
107.04882	1.7
107.69189	1.0
109.02828	3.0
111.00800	1.6
122.03635	10.3
127.07515	1.8
135.04414	26.6
136.01561	2.3
136.04861	0.9
147.08061	2.3
149.05983	2.4
149.09651	6.3
151.07553	3.0
154.02628	2.8
155.10640	1.0
161.09637	6.5
163.07516	3.9
163.11194	50.7
164.08344	15.7
164.11539	3.4
165.09157	8.6
177.09125	62.6
178.09889	18.8
179.10690	70.4
180.11014	3.4
183.10139	2.5
187.11266	1.9
191.10704	12.6
193.08644	8.5
199.14369	0.9
279.13748	1.2
280.14725	4.1
298.15720	47.6
299.16000	5.3
309.22220	1.1
322.19443	1.6
337.15546	1.4
337.21725	46.2
338.22150	5.5
340.20410	78.3
341.20813	8.9
355.22803	100.0
356.23154	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	355.1034
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01260	1.6
70.28564	0.7
71.01254	0.7
85.02827	0.4
89.02331	0.5
93.03343	0.8
101.02298	0.4
106.04145	0.7
109.02821	0.5
111.00776	0.3
119.04915	0.3
121.02843	2.2
132.02072	2.8
133.02869	2.1
134.03632	73.0
135.03966	3.0
137.02344	9.1
139.03912	2.4
148.01527	0.3
149.02354	0.9
149.05989	15.2
150.03114	1.0
150.06310	0.8
160.01561	10.1
161.02069	0.3
175.03925	14.4
176.04231	1.1
178.02631	32.5
179.03017	1.4
191.05537	2.6
192.05853	2.0
193.04968	100.0
194.05324	5.9
217.04935	1.1
235.06038	0.9
295.08145	0.4
317.50845	0.3
343.90546	0.3
355.10291	1.0
356.07321	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	355.1035
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01251	5.7
60.27130	0.3
70.80830	0.9
71.01250	2.3
76.52103	0.3
85.02843	0.4
89.02322	3.1
101.02315	1.5
113.02333	1.6
119.03435	0.7
132.02060	8.0
134.03621	5.5
142.87285	0.3
149.05965	1.6
151.03917	0.3
160.01570	40.8
161.01880	2.1
175.03923	100.0
176.04266	6.0
178.02641	0.5
183.53874	0.3
191.07066	2.2
193.04980	17.9
194.05327	0.9
202.02678	0.9
207.06557	0.6
217.05013	6.4
218.05295	0.6
235.06108	2.9
265.07147	1.0
295.08221	1.7
355.06345	0.4
355.10333	5.7
356.10645	0.7
358.35736	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	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
61.86351	0.2
62.50343	0.2
67.82302	0.3
71.07056	0.6
71.07383	0.4
96.95890	2.2
115.76074	0.3
152.18774	0.3
163.11189	95.3
164.11523	6.4
177.09119	76.1
178.09453	4.6
191.05450	0.3
192.61641	0.3
222.08861	0.4
353.21182	100.0
354.21521	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71821	0.3
51.99592	0.3
56.29743	0.4
58.02846	1.4
59.01237	1.3
65.99120	0.4
67.11984	0.3
69.03319	0.4
71.50149	0.7
73.02846	0.4
73.09200	0.3
85.02828	0.4
86.99316	0.4
90.18243	0.3
93.03300	0.5
96.95892	2.0
107.28707	0.4
112.52682	0.3
119.04920	3.6
121.06468	0.8
124.07699	0.4
128.10703	8.0
130.08630	100.0
131.08984	2.7
145.06476	0.7
152.05379	0.4
161.09619	0.7
163.07498	0.5
172.09703	7.0
185.64722	0.4
191.05518	0.7
193.04854	0.6
278.59811	0.4
287.61926	0.3
316.19861	0.4
354.19199	47.1
355.14230	1.2
355.19543	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	355.0822
Annotation	Sulindac
Peak:m/z	Relative Intensity
59.01189	2.8
61.74099	0.7
65.65989	0.7
67.12321	0.8
68.74220	0.6
71.50620	1.2
91.01713	0.7
101.02254	1.4
119.04919	18.5
121.02840	92.4
122.03140	3.0
137.52341	0.7
154.26288	0.7
162.03014	1.8
163.03928	10.4
180.05701	0.8
181.06537	4.3
225.05478	2.1
311.09225	100.0
312.09595	9.3
338.11530	0.9
355.08234	44.7
355.15207	1.2
355.24835	1.8
356.08710	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	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
58.67091	0.5
59.01253	5.3
60.99156	0.7
67.01759	6.0
69.03325	1.8
70.03183	2.8
71.01253	5.0
73.02837	1.1
81.03294	1.2
83.04899	1.0
85.02821	15.1
85.03298	1.0
87.00740	3.9
91.56550	0.6
93.03333	31.0
94.03704	1.0
99.00767	0.7
102.18378	0.6
107.04932	0.9
109.02828	2.4
111.00786	1.1
111.04409	7.3
112.04694	0.6
127.03876	4.0
133.02859	2.1
134.03630	4.5
135.04411	76.5
136.04745	2.8
137.02351	5.9
143.03409	0.7
145.06134	0.8
155.03397	4.5
161.02328	5.0
171.02931	0.9
173.04466	81.9
174.04825	3.8
179.03419	52.5
180.03740	3.6
191.05537	100.0
192.05804	3.1
250.28285	0.6
353.08722	8.4
354.08984	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	353.0878
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.09274	0.1
55.41040	0.1
57.03324	0.1
59.01242	1.0
60.99178	0.2
67.01758	0.3
69.03337	0.3
70.97912	0.2
70.98242	0.3
71.01247	0.7
73.02816	0.2
81.03323	0.3
83.04893	0.4
85.02824	8.9
87.00756	1.8
93.03337	2.8
99.04370	0.3
109.02852	0.7
111.04406	1.2
113.02336	0.2
117.20603	0.1
127.03911	2.5
129.38350	0.2
133.02835	0.9
134.03662	0.1
135.04416	0.7
137.02394	0.2
144.18736	0.1
145.93767	0.2
155.03406	0.3
161.02350	2.4
171.02876	0.7
173.04492	1.1
179.03415	0.7
190.16801	0.1
191.05547	100.0
192.05899	4.0
353.08707	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	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.71106	0.3
51.99453	0.2
59.01248	2.0
67.01748	0.4
67.58266	0.2
70.35098	0.4
71.01243	1.0
73.02811	0.4
78.95748	0.4
83.04916	0.4
85.02821	5.7
87.00739	1.2
93.03329	2.5
96.96837	0.4
109.02836	0.3
111.00799	0.4
111.04391	1.1
113.02327	0.3
127.03864	1.6
133.02866	0.6
135.04430	2.0
161.02336	2.3
165.82652	0.2
171.02934	0.4
173.04456	2.0
177.02367	0.3
179.03365	1.6
190.06728	0.3
191.05533	100.0
192.05896	4.5
303.41879	0.2
314.36008	0.3
319.00537	0.3
353.08771	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	352.1765
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
57.15184	0.5
58.02843	2.1
59.01256	2.7
71.01251	0.6
71.49577	1.1
81.03319	2.1
82.02512	0.5
85.02796	0.8
95.04900	2.0
96.95866	0.8
109.06496	0.8
110.09650	0.7
128.10704	9.1
130.08629	100.0
131.08122	0.5
131.08961	3.0
135.08064	1.8
149.05991	3.4
153.91020	0.6
154.08670	1.8
172.09691	3.5
177.09148	1.8
179.07176	1.0
181.08604	1.2
181.19269	0.5
191.05556	4.8
212.48782	0.5
246.18529	1.1
290.17575	2.7
292.46109	0.5
308.18674	13.8
309.18872	1.3
311.11481	0.5
313.22894	0.5
334.16504	4.0
335.17163	0.7
345.46317	0.5
352.17627	34.8
353.17935	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	352.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.5
61.98708	5.5
66.18217	1.0
70.51804	1.2
70.52152	3.0
71.01240	1.1
73.62781	1.0
79.95617	10.2
80.96375	1.5
95.95099	5.9
96.95886	87.5
152.00146	3.0
179.03230	1.0
191.05518	4.3
308.18997	3.5
352.21606	100.0
353.21826	11.3
354.19366	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.3
69.03329	0.3
70.98632	0.7
71.01246	1.0
73.02813	0.4
83.04885	0.3
85.02821	8.3
86.03181	0.4
87.00746	2.0
88.13674	0.3
88.57848	0.3
93.03336	3.3
109.02831	0.8
111.04417	0.8
127.03904	1.9
133.02864	0.6
135.04417	1.4
139.50314	0.3
139.96423	0.3
155.03325	0.3
161.02322	2.3
171.02907	0.7
173.04474	1.1
179.03397	0.9
191.05536	100.0
192.05853	4.4
245.79857	0.3
332.19376	0.3
332.93744	0.3
353.08771	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	351.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68447	0.4
57.25216	0.5
59.01251	100.0
59.98534	0.6
60.01586	1.4
65.37482	0.4
70.63229	1.8
71.01251	2.3
73.02818	0.9
76.00506	0.5
85.02847	1.7
96.95893	2.9
101.02325	2.4
108.93517	0.4
113.02330	1.1
129.05318	0.5
154.75548	0.5
161.04466	1.4
162.59622	0.5
191.05635	0.5
215.32176	0.4
281.08432	0.6
291.18195	3.1
297.92484	0.5
351.25995	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	352.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95570	0.5
57.03305	0.6
59.01249	26.8
65.39160	0.6
69.03342	0.6
69.72458	3.9
71.00897	1.1
71.01254	11.9
72.99174	0.9
73.02820	15.1
75.00752	0.9
83.01251	3.1
84.89639	0.7
85.02314	0.5
85.02821	10.1
85.06511	0.5
87.00760	5.1
89.02306	1.8
91.61086	0.5
92.04934	2.2
93.03323	3.4
98.19827	1.1
99.04358	0.9
101.02324	6.2
104.28152	0.6
109.02851	0.8
111.04401	1.0
113.02336	3.3
116.04919	1.2
118.02871	1.6
119.03404	0.8
119.71185	0.5
120.04424	1.9
125.02344	0.8
127.03924	1.8
131.03607	1.9
132.04462	4.3
133.02815	1.9
134.03175	1.4
135.04396	1.9
140.75043	0.7
144.04460	5.8
146.02379	23.6
146.05963	0.9
147.03169	20.8
148.03935	4.2
149.04303	0.7
150.05501	1.4
158.05986	2.1
159.03151	0.7
160.03946	24.9
161.02322	2.0
161.04332	2.0
171.02950	0.8
172.03963	6.0
173.04477	2.7
174.05556	3.2
177.01978	0.6
179.02148	2.2
185.04669	1.0
186.05518	2.4
191.05534	100.0
202.05074	5.0
204.59560	0.7
214.05003	6.0
215.05383	0.9
232.06187	0.6
292.08145	1.8
310.09464	2.8
352.06116	1.3
352.10333	23.9
353.10526	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01594	1.3
65.97334	0.3
70.32438	0.7
70.32834	0.8
71.01221	0.5
89.72546	0.3
110.05733	0.3
133.69722	0.3
135.04433	0.8
161.02336	0.4
314.10507	0.9
315.10767	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63498	0.3
59.01248	100.0
60.01582	0.7
61.15631	0.3
69.16373	2.3
69.16782	1.1
71.01257	0.3
86.57761	0.4
96.95911	0.3
112.66005	0.3
119.94074	0.3
120.46838	0.3
134.01152	0.3
211.13139	0.4
246.36494	0.4
351.14685	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	351.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.6
59.01250	100.0
60.01578	0.9
71.01271	2.3
71.29314	1.4
73.02811	0.9
78.80230	0.5
85.02823	1.2
97.11469	0.7
97.26953	0.5
99.00780	0.8
101.02346	2.0
106.85722	0.6
113.85384	0.6
125.84312	0.6
135.04449	1.0
161.04495	1.3
208.13617	0.6
291.18256	2.6
305.21399	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	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.9
58.40171	0.9
59.01248	19.5
61.98694	1.6
63.17511	1.1
64.08919	0.9
67.01757	1.0
68.99704	2.7
69.03337	0.9
71.01252	17.5
71.35863	1.1
71.36211	1.7
72.99168	5.1
73.02821	2.5
75.00746	18.9
78.94078	1.1
85.02824	20.9
87.00752	7.2
89.02331	4.6
93.03352	1.6
95.01250	4.3
96.99200	1.8
99.00758	10.5
101.02308	2.2
101.05963	100.0
102.06286	2.3
103.00250	2.8
109.02867	1.2
113.02333	30.8
115.00254	3.7
117.01844	2.7
128.28514	1.0
129.01826	1.2
133.02834	4.5
134.03619	3.8
135.04425	1.3
139.00139	1.1
149.31644	1.0
157.01407	1.4
160.03905	1.9
173.04451	1.7
175.02371	5.8
177.01920	2.4
191.05518	2.6
193.05048	1.9
205.07120	1.6
215.05714	1.4
231.05049	1.4
245.23131	1.0
249.06117	6.2
267.07132	2.6
271.11075	1.2
291.10709	1.3
333.11786	2.8
351.07645	3.0
351.12949	76.0
352.13681	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.8
57.03305	1.3
58.21449	0.5
59.01253	11.6
59.05941	0.5
60.62648	0.5
67.01747	0.6
68.99676	0.9
69.03340	0.5
70.77807	1.7
71.01258	9.7
72.99178	3.7
73.02834	0.7
75.00743	13.0
77.27058	0.5
83.01243	0.9
85.02823	15.1
87.00748	5.9
89.02337	2.6
95.01267	3.5
99.00751	8.7
101.05959	100.0
102.06298	2.9
103.00272	2.4
113.02332	22.4
115.00272	1.3
117.01820	3.0
129.01808	1.4
134.78758	0.4
157.01334	0.9
163.76164	0.5
175.02414	2.7
189.03978	0.5
205.07074	0.9
231.05067	2.7
242.78105	0.6
249.06133	21.2
250.06340	0.9
267.07202	2.1
291.10812	1.0
302.33044	0.6
333.11844	2.9
351.12946	81.6
352.13330	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	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23138	0.5
59.01250	100.0
60.01599	1.4
61.91387	0.5
62.60814	0.5
69.54805	3.7
95.43890	0.6
96.95888	1.4
97.77106	0.6
112.52437	0.5
112.91122	0.5
120.34967	0.6
127.05068	1.0
130.43614	0.6
145.06055	0.6
171.10272	0.6
187.82793	0.6
351.06161	0.9
351.11511	0.7
351.15765	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	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17292	0.3
55.01756	1.1
57.03318	0.9
57.28131	0.3
58.00488	0.3
59.01249	100.0
60.01583	0.8
60.03180	0.3
69.03339	0.3
71.01251	20.5
71.50156	0.3
72.01593	0.4
72.99187	0.9
73.02822	6.0
75.00742	0.4
75.60527	0.3
79.95627	0.8
80.96391	0.3
81.03331	0.4
83.01241	2.8
85.02821	10.3
87.00757	0.8
89.02307	3.2
95.01281	1.6
96.95887	2.4
97.02799	0.7
99.00754	2.3
101.02322	13.6
113.02326	7.4
113.03074	0.5
114.02640	0.3
119.03416	1.2
122.68418	0.3
125.02374	0.5
143.03415	0.9
143.10735	1.2
145.12250	0.4
159.02963	1.6
159.97525	0.7
161.04463	10.4
164.80615	0.3
186.26122	0.3
187.13362	0.9
205.03613	0.7
225.04355	2.7
225.54642	0.6
289.16739	0.8
307.17590	15.7
308.18076	1.2
349.13843	0.5
349.19159	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	351.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.2
65.00204	2.9
66.76024	2.0
71.49773	3.1
89.58330	2.4
96.95887	11.6
96.99194	4.1
97.99992	3.9
106.04132	4.3
109.99983	33.1
124.98698	6.3
125.02240	2.1
131.41788	2.0
132.98972	3.1
133.06468	5.6
136.98666	3.6
137.99477	6.1
151.00066	16.7
153.00874	1.7
153.01831	67.8
154.02156	5.3
159.04393	7.0
160.98466	70.7
161.98810	2.8
164.98068	9.3
178.99596	12.9
190.99725	4.7
191.05566	2.3
192.00543	3.9
197.05815	3.1
207.99812	28.2
214.99556	12.6
221.05794	7.8
221.15392	5.4
222.98569	13.7
223.03693	6.3
223.99527	2.6
236.10524	2.5
249.05309	7.6
262.00925	2.3
268.11780	2.8
293.04214	6.7
321.03812	52.4
322.04343	4.4
336.06155	100.0
337.06488	8.7
351.08505	96.1
351.12787	3.1
351.18332	6.5
352.08847	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07472	0.8
59.01250	100.0
60.01575	1.3
69.03319	5.2
70.80345	1.1
70.80696	1.3
71.01262	2.8
77.23174	0.6
83.01250	0.8
85.02850	1.0
85.97479	0.6
87.07326	0.7
87.51860	0.6
89.02325	2.0
97.02867	1.3
99.00772	2.3
101.02346	2.0
110.73598	0.6
113.02353	1.5
119.03393	1.0
161.04492	1.0
185.00871	2.4
199.69530	0.8
203.02005	0.8
304.24335	0.7
314.28842	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	349.1867
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01740	4.3
55.97371	1.3
57.03313	4.3
58.00465	2.9
59.01249	96.3
65.32649	1.4
71.01252	100.0
71.50260	2.4
72.99175	5.4
73.02816	13.6
75.67391	1.3
79.95586	5.2
83.01252	9.3
85.02824	32.9
87.00751	13.3
89.02315	54.4
95.01277	7.7
96.95881	9.3
97.02828	1.9
99.00755	8.1
101.02319	68.5
101.79262	1.4
111.00642	1.3
113.02330	37.5
114.02673	1.6
119.03384	28.9
120.03757	1.7
125.02332	2.5
131.03452	2.8
141.09111	14.0
143.03375	2.4
143.10715	2.5
159.02924	3.3
159.97505	3.1
161.04456	25.2
169.12230	12.9
179.05431	3.0
185.11736	1.7
187.13274	4.5
225.04343	12.3
235.68115	1.7
257.09277	2.6
259.10916	1.6
269.77371	1.5
300.35040	1.7
349.14325	4.2
349.18619	80.2
350.19016	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	349.1866
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03303	1.1
58.00460	1.0
59.01250	37.7
70.07537	2.2
70.07948	1.2
71.00853	1.1
71.01251	20.4
72.99177	2.1
73.02826	1.5
83.01239	1.9
85.02814	6.1
87.00768	2.0
89.02315	15.7
89.92743	0.6
95.01267	2.3
101.02320	12.4
113.02320	9.0
119.03379	6.7
122.96674	0.7
130.05554	0.7
134.43806	0.6
139.11115	0.9
141.12755	28.5
142.13080	1.5
155.14308	0.8
169.12251	6.3
171.13824	1.5
179.05618	1.3
183.13808	2.6
184.19350	0.7
187.13319	59.3
188.13741	3.4
229.14442	1.6
231.15898	0.7
349.18655	100.0
350.19125	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
66.82090	1.8
70.89949	2.7
71.01261	3.3
71.49234	2.8
80.67114	1.9
94.01460	1.8
105.42924	1.8
117.25044	1.8
293.94727	2.4
348.87479	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	349.1141
Annotation	Prodiamine
Peak:m/z	Relative Intensity
54.08709	0.4
55.01751	1.0
57.03315	2.8
58.00465	1.0
59.01250	21.6
67.01745	1.1
68.99694	1.5
69.03323	0.5
70.25179	1.5
71.01258	24.4
71.88873	0.4
72.01608	0.5
72.99181	5.4
73.02808	2.0
75.00746	17.8
81.03387	0.5
83.01248	1.7
84.02061	0.6
85.02823	20.3
87.00753	6.9
89.02315	7.6
95.01257	4.4
98.20426	0.5
99.00758	10.3
99.04396	100.0
100.04724	2.9
101.02312	4.1
103.00261	1.5
109.02852	0.6
111.00755	0.7
112.75924	0.5
113.02334	20.4
115.00261	1.6
117.01844	3.1
119.03357	1.6
129.01823	1.5
139.00230	0.5
157.01308	0.8
161.04422	1.0
175.02414	1.8
183.18069	0.4
187.13342	0.5
231.05017	2.6
249.06151	16.7
267.07254	3.1
289.09277	0.9
331.10199	1.7
349.11383	39.6
349.18591	1.4
350.11719	3.4
366.49908	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	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18525	0.7
55.01754	2.7
56.41104	0.7
56.93329	0.8
57.03313	2.2
58.00462	1.9
59.00962	1.7
59.01250	34.0
69.03302	0.9
69.67566	4.9
71.01251	31.6
72.99174	3.1
73.02814	10.0
74.11794	0.8
83.01254	5.6
85.02819	12.7
85.99953	1.9
87.00732	1.8
89.02315	12.5
95.01263	1.9
96.95851	0.9
98.20525	1.6
99.00743	3.1
101.02318	26.4
113.02330	13.9
115.07521	2.7
119.03393	4.3
136.07704	0.9
143.03436	1.1
159.02835	1.2
161.04468	4.1
167.10686	10.2
185.11761	6.4
231.49023	1.1
303.18167	2.4
329.15976	1.1
347.17087	100.0
348.17450	7.5
359.92606	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	347.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25939	16.4
59.01253	42.9
71.01247	18.4
71.49799	18.9
86.29372	16.8
138.76418	13.4
150.75706	16.6
171.10165	24.9
193.12257	17.2
293.21252	46.8
311.22159	100.0
312.22659	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	347.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67918	11.9
59.01245	62.1
64.16144	14.9
71.37999	27.5
87.28230	11.5
93.02727	13.6
94.92196	11.2
113.02316	13.6
114.95560	18.0
129.08089	11.1
130.54375	11.7
171.10208	17.4
197.19423	12.6
206.84392	14.9
242.57668	11.3
311.22214	100.0
337.21597	14.1
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	Kankanoside E
Peak:m/z	Relative Intensity
53.81847	0.7
55.01751	2.1
57.03315	2.8
58.00468	2.0
59.01250	35.7
65.58730	0.7
69.15894	6.7
69.16297	1.7
71.01251	28.6
72.99173	2.7
73.02814	9.9
75.00744	0.9
83.01264	5.0
85.02827	12.3
85.99937	1.4
87.00740	2.2
89.02324	9.8
95.01260	2.0
96.92655	0.8
99.00763	2.6
101.02325	21.2
101.02997	1.1
111.00737	1.1
113.02339	10.4
115.07515	1.3
119.03395	4.7
146.30173	0.7
161.04497	3.7
167.10686	10.9
185.11761	6.9
191.48390	0.9
217.01587	0.9
244.22072	0.8
294.62363	0.8
303.18179	1.6
329.16144	1.4
347.17087	100.0
348.17465	8.1
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	Kankanoside E
Peak:m/z	Relative Intensity
55.01747	1.2
57.03307	1.7
58.00456	3.3
59.01252	100.0
61.21729	1.3
66.91213	1.1
71.01256	61.0
71.49944	2.0
72.99190	5.4
73.02816	2.5
83.01255	3.1
85.02828	12.2
87.00753	2.6
89.02319	58.6
95.01268	5.1
96.95863	1.9
101.02325	41.0
112.64293	1.2
113.02334	22.1
119.02587	2.2
119.03390	29.0
121.10181	1.3
131.03395	4.2
143.03418	3.5
149.04416	1.8
161.04466	3.7
167.10695	48.0
168.11021	3.1
179.05498	3.7
185.11809	1.5
267.62979	1.3
300.04767	1.3
337.92194	1.2
341.98383	1.2
347.17084	51.0
348.17484	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
56.81411	1.3
57.03305	2.0
57.89717	1.5
58.00451	5.0
59.01250	100.0
69.31196	1.3
71.01254	81.0
72.99168	5.7
73.02810	2.5
76.32369	1.2
83.01276	2.1
85.02820	14.7
87.00757	4.4
87.64197	1.2
89.02318	84.2
90.02631	1.4
95.01254	6.0
96.95876	2.8
99.00760	2.4
101.02319	44.0
109.06476	1.4
113.02327	31.9
119.03384	35.4
131.03360	3.9
143.03383	4.2
145.93793	1.4
149.04425	2.8
156.95084	1.4
161.04451	4.2
167.10674	16.8
179.05479	6.3
229.10329	1.8
285.45645	1.4
347.17166	9.4
347.24164	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.7
58.00467	4.3
59.01250	100.0
63.12183	1.0
63.14009	1.0
69.03313	1.1
69.71853	3.7
69.72279	3.8
71.01251	76.3
72.99178	4.7
73.02816	1.8
79.95613	1.5
83.01263	2.7
85.02823	15.7
87.00759	4.0
89.02316	81.4
89.44486	1.0
95.01266	5.1
96.95882	1.8
98.03089	1.0
98.18468	1.0
98.20539	2.3
99.00762	2.7
101.02317	42.9
108.01976	1.4
113.02337	28.6
119.03384	35.6
131.03410	3.1
143.03418	3.9
149.04472	2.6
152.01091	1.5
160.64662	1.1
161.04405	5.5
167.10706	16.7
179.05513	9.3
185.11697	1.2
259.15475	1.4
347.17047	10.6
347.24124	1.3
360.78128	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	345.2283
Annotation	oscr#20
Peak:m/z	Relative Intensity
50.81950	0.4
57.03316	1.2
59.01244	1.2
60.96679	0.4
69.03329	0.9
69.21815	2.1
69.22243	2.5
71.01244	0.6
83.04880	1.6
85.02837	0.7
85.06467	5.4
87.00739	0.6
95.04913	0.5
97.06477	0.8
98.20558	1.2
115.07552	4.0
118.49911	0.4
122.75901	0.5
123.04423	0.5
125.06007	0.5
125.09597	1.6
127.11171	3.1
147.41406	0.4
155.10635	0.9
155.14334	1.1
165.12773	1.0
167.14349	1.5
171.10194	6.0
183.13818	6.0
193.12248	1.5
198.69127	0.5
199.13387	0.6
209.11787	1.5
211.13339	30.6
212.13699	1.6
229.14413	20.0
230.14728	1.4
243.44746	0.5
309.20782	1.2
327.21683	0.7
345.22800	100.0
346.23135	10.9
364.37698	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03327	1.9
58.00475	2.1
59.00957	2.5
59.01252	44.2
59.38836	1.0
69.03320	1.5
71.01253	27.6
71.49758	1.8
72.99176	6.2
73.02818	1.7
83.01257	1.5
85.02818	6.1
87.00745	1.3
89.02311	23.5
95.01281	2.4
96.95903	5.4
101.02323	17.7
113.02336	9.1
113.09608	1.1
119.03369	13.4
121.16071	1.2
131.03445	1.6
139.11180	4.9
139.66780	1.1
141.09088	1.3
149.04515	1.1
157.12292	1.7
161.04559	1.6
167.10687	100.0
168.11034	4.6
179.05472	1.4
181.04901	1.4
185.11760	22.4
234.21237	1.2
255.69077	1.0
264.04822	1.3
285.05261	1.9
347.17133	77.6
347.23929	15.0
348.17459	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	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.34142	6.3
71.49939	10.7
72.54320	6.4
75.45304	8.0
78.95811	9.5
98.89606	6.2
152.42583	8.4
219.92404	7.4
231.12350	7.9
291.19705	28.5
294.75485	8.9
309.20679	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01757	5.2
55.93991	0.6
57.03321	4.1
58.00461	3.2
59.01251	61.8
60.01555	0.7
69.03321	1.2
69.60532	4.0
69.60947	1.3
71.01252	68.6
72.01576	0.8
72.99183	4.4
73.02820	16.6
73.75356	0.7
75.00749	1.3
83.01252	10.6
85.02299	1.1
85.02821	26.9
86.00000	1.9
87.00752	2.5
89.02321	28.0
95.01256	6.0
97.02843	0.9
99.00755	6.9
101.02323	54.4
102.02638	1.2
111.00745	1.5
113.02328	26.1
114.02654	0.8
119.03384	14.2
121.10126	6.9
127.05109	0.6
129.01805	0.9
131.03441	1.0
139.11150	1.2
143.03397	1.9
149.04373	1.0
159.02908	2.9
161.04482	11.5
165.09117	1.7
172.55157	0.8
179.05557	1.0
183.10182	1.2
183.64157	0.7
301.16547	2.0
345.15524	100.0
346.15878	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	345.1555
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01757	1.6
57.03314	1.3
58.00463	2.7
59.01251	62.0
60.01575	0.8
69.03336	0.8
70.02641	2.3
70.03057	1.3
71.01253	43.0
72.99171	4.8
73.02817	2.1
83.01257	2.7
83.08170	0.7
85.02824	10.2
87.00751	2.2
89.02316	33.6
93.03325	2.1
95.01257	3.2
99.00748	1.0
101.02323	26.7
105.24370	0.7
113.02331	14.1
119.03388	14.1
119.04162	0.5
120.01152	0.9
121.10128	5.7
132.04475	1.1
135.04408	3.1
137.02327	0.8
149.04416	1.1
160.01578	2.8
161.02351	2.9
165.09109	11.0
175.03934	2.6
179.03380	2.1
179.05606	1.1
183.10175	2.8
191.05556	6.5
192.05724	0.9
193.05075	0.7
198.96971	0.7
244.49208	0.8
257.12881	1.8
301.11908	1.5
313.08743	1.3
345.15524	100.0
346.15869	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1554
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
51.71581	1.6
55.01743	1.3
57.03332	2.1
58.00454	2.7
59.01250	65.1
60.67470	1.3
68.50175	1.1
68.87029	1.3
69.03322	1.9
71.01251	36.7
71.49305	1.5
72.99191	6.5
73.02816	2.3
83.01254	4.4
85.02814	7.6
87.00737	2.8
89.02317	31.3
95.01269	1.6
96.95876	3.5
99.00730	1.3
101.02314	21.1
101.02938	2.0
105.29206	1.2
113.02312	11.4
113.70543	1.2
115.55404	1.2
119.03391	15.0
121.10111	45.4
122.10456	2.4
137.09628	9.7
154.45253	1.1
165.09126	68.2
166.09419	3.6
171.10165	1.5
179.05655	1.5
183.10188	42.5
184.10583	2.7
225.11273	2.0
230.05028	1.3
256.00201	1.4
259.01202	1.7
345.15506	100.0
345.22546	7.7
346.05292	1.5
346.16119	9.2
346.19968	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	345.1092
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
54.52362	0.8
57.36187	0.7
59.01244	7.3
61.88748	0.8
68.99698	0.8
71.01260	6.4
71.50011	1.5
73.02814	1.3
77.66207	0.8
84.04433	1.8
85.02843	1.9
87.00749	1.2
89.02296	3.9
93.03330	0.9
94.02873	1.1
95.03638	5.2
96.04411	0.9
96.08064	2.8
97.21578	0.7
101.02325	2.7
104.04942	3.7
105.03322	1.2
106.06512	11.2
108.04467	0.9
110.06023	0.9
112.03922	1.9
113.02319	2.1
115.98952	0.8
119.03387	1.8
120.01155	2.4
121.10111	2.6
121.49052	0.6
122.06021	4.7
123.00799	1.0
123.03161	1.7
123.04413	1.2
124.07571	8.3
132.04446	65.0
133.05247	30.7
134.06032	13.4
135.04434	1.8
137.02361	1.1
138.05482	1.6
140.39406	0.8
148.03935	5.4
150.05515	3.0
151.03957	1.4
161.02332	3.1
161.05695	0.7
165.04222	47.2
166.04572	2.7
167.03424	1.7
168.06569	1.0
171.06642	0.9
176.03482	3.3
176.07097	1.4
177.04218	6.5
178.04991	3.0
184.06061	1.0
184.07619	2.6
185.08455	1.5
186.09171	8.1
187.08572	1.1
191.05583	2.2
198.09163	2.7
209.03233	10.7
212.10742	1.1
213.06641	7.8
214.12317	12.1
215.11852	12.6
226.07413	1.9
227.08127	1.0
227.11638	1.2
228.08850	1.0
229.09720	6.6
240.10205	3.0
241.09778	7.4
250.35938	0.8
255.11412	1.5
257.12936	53.2
258.13242	3.4
268.08524	0.8
283.10867	13.4
301.11917	37.1
302.12283	2.2
324.53143	0.8
327.09772	2.8
345.10916	100.0
346.11328	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.31024	0.5
51.02299	0.5
57.03328	0.5
59.01258	1.1
69.03307	0.8
77.52843	0.6
89.27510	0.5
97.06462	0.8
99.08031	3.7
108.15019	0.6
109.06447	0.5
113.09592	0.6
121.10116	6.8
125.02327	0.8
125.09589	1.2
127.11166	1.5
133.06435	1.6
137.09644	1.5
138.35025	0.5
139.11192	1.2
153.01877	3.9
153.09088	0.6
168.04204	3.5
171.10179	45.4
172.10536	1.8
175.11209	0.9
183.06566	0.7
193.12230	6.6
205.96298	0.5
211.13327	1.4
225.14944	9.7
225.17070	0.4
229.46619	0.7
243.16029	4.5
293.21130	2.9
313.03574	0.7
313.07245	0.8
328.09518	0.7
343.24875	100.0
344.25204	11.7
344.28369	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.15922	0.3
57.03310	0.4
59.01242	2.3
60.19959	0.3
60.96930	0.3
69.03323	1.4
70.02957	0.7
70.03354	0.8
71.01250	0.7
74.56625	0.4
83.04887	1.0
89.34057	0.4
97.06455	0.8
99.07384	0.4
99.08031	6.7
101.02251	0.4
114.21950	0.3
114.61784	0.3
120.05581	0.3
121.02878	0.5
121.10113	3.5
122.79228	0.3
123.08005	0.4
125.09574	1.1
127.11179	0.9
133.06473	0.5
137.09601	1.4
139.11229	1.5
153.01834	1.4
162.30132	0.3
165.09128	0.6
165.12689	0.7
168.04222	1.4
171.10175	27.0
172.10510	1.2
175.11249	0.7
178.18735	0.3
183.06609	0.5
185.11777	0.4
193.12267	11.3
194.12573	0.7
195.13834	0.3
197.15347	0.5
211.13333	2.8
225.14912	15.8
226.15269	1.2
237.07510	0.3
243.15988	4.6
285.03629	0.4
293.21222	2.0
311.22363	0.5
313.03613	0.9
313.07068	0.4
322.03775	0.3
325.23901	0.8
328.05917	0.5
343.24872	100.0
344.25201	9.6
369.97333	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.6
59.29475	0.4
64.99625	0.5
69.86091	0.5
71.21996	1.2
77.16814	0.5
89.02313	0.5
121.02805	0.6
121.10114	9.7
125.09621	1.6
127.11181	2.6
133.06546	0.5
137.09615	2.1
139.11192	4.7
140.04422	0.4
153.01820	1.7
165.09097	0.8
168.04196	0.9
169.08481	0.5
171.10178	67.4
172.10561	2.7
184.70229	0.5
211.13354	0.6
270.01709	0.5
276.41214	0.5
288.31769	0.5
293.21188	1.3
313.03757	1.5
343.08191	1.3
343.24869	100.0
344.25238	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	343.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83216	0.7
59.01253	36.4
69.03317	0.9
70.98529	2.2
70.98896	0.9
71.01247	2.5
83.04869	2.3
85.02818	2.5
85.06453	6.8
87.04314	0.9
89.02296	1.0
89.09008	0.9
95.04920	1.5
96.95879	3.1
97.06438	2.8
111.08025	1.7
115.07541	18.3
118.41679	1.0
121.02816	1.5
129.09123	1.6
136.03928	1.0
139.11174	3.5
143.10640	1.5
150.88400	0.8
157.12216	1.0
159.95593	0.8
171.10199	1.3
185.11790	1.5
197.11755	1.4
201.11340	1.3
210.03162	1.4
226.02640	2.3
229.14407	1.2
237.18523	1.9
242.02065	3.1
254.02254	1.8
255.19585	1.1
270.01678	5.0
283.02423	1.2
283.19141	19.9
284.19684	1.7
285.03967	7.1
301.20184	100.0
302.20532	7.9
313.03555	25.2
314.03943	2.6
325.20303	1.1
327.05011	1.4
328.05933	5.7
343.08209	30.7
343.21198	43.0
344.08475	4.0
344.21390	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
51.84232	0.8
57.03305	3.5
59.01248	6.5
69.03322	1.7
70.36763	0.9
71.01258	2.1
71.04888	3.3
71.49560	1.6
81.03300	1.6
83.04897	3.4
83.49046	0.9
84.02051	3.5
85.02831	4.1
85.06451	1.6
87.04384	4.1
87.45953	0.8
93.03372	1.6
95.04897	7.7
96.95890	2.7
97.02819	1.2
97.06481	2.0
99.04389	0.9
101.02372	1.1
106.04088	1.6
109.02886	1.5
109.06465	1.1
111.04320	1.1
113.05962	1.6
121.02837	6.6
123.00751	1.1
123.04417	1.6
123.08031	1.2
125.09605	2.2
127.11158	2.0
132.81502	0.9
134.03613	4.6
135.04344	1.3
135.08058	4.0
136.03966	6.5
137.02348	2.8
138.03136	1.2
147.03181	4.3
148.03857	1.0
149.02296	4.5
149.06001	3.7
150.03117	1.1
151.03906	3.7
152.35330	0.8
155.10632	0.9
163.11160	1.0
165.01892	1.1
166.02563	2.2
167.05751	0.9
168.06567	4.2
171.10185	29.1
172.10547	2.2
175.03963	1.9
181.05042	2.4
183.13860	1.4
185.11742	1.6
198.52718	0.9
201.11263	3.2
203.02124	1.3
204.06653	1.0
209.11807	3.5
211.13309	12.7
221.11752	1.4
229.14378	13.4
230.14893	0.9
237.14925	13.4
239.12839	1.1
245.19164	1.1
249.14952	1.9
255.15897	1.1
275.10440	1.2
289.18118	2.3
307.19022	1.6
313.03470	1.1
325.20209	10.7
343.09262	4.6
343.21231	100.0
344.11526	7.5
344.21606	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	343.1185
Annotation	Nigrolineaxanthone A
Peak:m/z	Relative Intensity
50.27221	0.4
59.01241	0.7
69.93873	1.0
69.94286	0.8
82.00484	0.7
89.30242	0.3
93.03345	0.5
95.01298	0.3
97.02862	0.4
102.62677	0.3
109.99975	10.6
121.02840	0.3
125.02328	7.7
127.13258	0.3
133.06485	32.1
134.06853	1.4
137.02339	0.9
137.99484	10.9
151.03894	0.5
153.01836	100.0
154.02158	2.6
164.01057	1.5
164.98227	0.8
165.01825	1.9
165.98947	0.5
168.04190	68.0
169.04512	3.0
169.84232	0.3
171.10138	0.8
179.03397	3.2
180.00493	0.4
183.06544	23.9
184.06856	1.0
192.00563	3.9
205.01254	0.6
207.02933	9.0
208.03183	0.6
210.06746	0.4
221.04489	0.9
222.05255	5.6
223.99600	0.7
233.24229	0.3
237.05270	0.8
237.07637	13.4
238.08070	0.9
254.04227	6.1
280.03589	0.4
281.04443	0.6
283.02435	0.6
296.06833	0.4
298.04773	2.7
313.03458	0.8
313.07153	15.7
314.07574	1.7
328.09506	15.0
329.09787	1.4
343.08112	0.2
343.11862	5.9
343.24997	1.7
344.12305	0.5
350.07004	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	343.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
59.01247	32.0
60.01587	0.5
69.03320	1.1
71.01238	2.0
71.04892	9.7
71.20610	1.0
72.99187	0.7
73.06455	0.8
83.04916	2.9
85.02823	0.9
85.18208	0.5
88.03912	2.1
89.02374	0.6
96.95876	1.9
99.04387	0.5
101.05959	18.5
102.06286	0.7
110.00026	0.7
110.01807	0.6
111.04379	1.3
113.02408	0.8
115.00231	0.7
115.07503	1.7
121.02865	1.1
125.09567	1.5
133.06509	1.8
137.02272	0.7
147.13968	0.6
153.01817	5.8
153.12711	1.9
165.12822	0.6
168.04208	3.1
171.10155	0.9
183.06500	1.7
188.20184	0.6
191.17993	0.7
192.01033	0.5
197.11710	0.7
209.11810	0.6
211.13394	0.7
219.13507	0.5
237.07571	0.6
237.18594	2.8
238.35439	0.7
255.19736	2.8
265.18256	1.4
279.47025	0.5
283.19144	20.3
284.19489	1.4
289.08069	0.6
301.20184	100.0
302.20554	8.0
313.03430	1.6
313.06946	1.0
325.20135	1.2
328.05820	1.1
328.09470	1.2
329.06653	1.1
343.08249	2.8
343.12000	0.8
343.21289	28.9
344.21548	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	342.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22458	6.6
57.03328	7.3
59.01237	18.4
69.97292	17.5
69.97688	13.4
71.01265	9.3
71.70514	5.9
72.39700	5.8
78.95760	6.1
85.02816	17.9
87.00743	31.7
89.02288	8.2
98.19881	8.0
111.00757	100.0
111.20523	6.1
144.24776	5.7
164.56412	7.0
172.81544	6.3
191.01881	92.8
336.33243	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	342.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
69.38412	3.1
69.38818	1.1
69.75208	0.5
72.32751	0.5
98.20581	1.2
109.02838	1.6
111.00755	0.5
112.02095	0.5
119.04895	0.7
121.02853	0.8
123.04382	0.6
125.45300	0.6
126.14470	0.5
133.02850	2.1
134.03629	6.7
135.04410	24.7
136.03883	1.2
136.04808	0.7
137.02324	1.1
147.03433	0.3
147.04411	12.3
148.05199	66.6
149.04570	0.6
149.05806	4.1
150.03040	0.9
150.05446	0.8
160.03963	1.0
161.02312	1.9
162.05479	1.5
162.06770	3.8
163.06255	0.9
175.04024	0.5
176.03436	6.9
177.04233	4.4
178.05017	45.0
179.05334	1.8
189.04260	0.6
190.05013	19.1
191.05386	1.2
192.03020	0.5
192.06601	3.3
204.06552	1.5
267.06250	0.6
283.09702	1.7
287.93616	0.6
326.10385	0.8
327.11108	20.3
328.11462	1.5
342.13440	100.0
343.13803	10.0
343.21136	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	342.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.0
59.01236	4.4
60.10402	1.6
64.26849	1.9
67.01746	2.1
71.48391	2.3
85.02821	21.5
87.00753	30.3
89.02315	2.7
94.05458	1.6
109.02836	1.9
110.02361	4.7
111.00765	100.0
112.01075	3.0
123.04400	2.1
129.01802	4.8
133.89517	1.7
150.05479	2.7
172.39600	1.5
173.00784	3.8
191.01903	75.0
191.03650	3.7
192.02368	2.6
244.06062	3.4
324.07138	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	342.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.8
67.01769	1.6
71.42725	2.0
73.85586	1.4
78.95773	30.0
85.02818	15.0
85.59864	1.8
87.00742	30.9
87.92365	2.2
91.37212	1.5
103.91940	2.0
110.02355	6.9
111.00765	100.0
112.01122	2.0
129.01814	4.3
150.05499	4.4
151.03984	1.6
173.00836	5.5
183.88538	3.7
184.89342	4.3
191.01904	78.5
192.02319	1.8
199.93997	2.7
207.92197	2.0
215.74896	2.0
244.06146	7.3
251.91153	2.8
262.07242	3.3
324.07147	1.7
336.54013	1.7
342.08374	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72640	0.4
57.03325	0.7
59.01247	4.5
67.01776	0.4
69.03323	1.7
70.26778	0.8
70.27128	1.2
71.01253	2.1
81.03329	0.7
83.04879	1.4
84.01555	0.7
84.02039	9.1
89.02312	2.6
97.02820	3.5
97.06469	9.0
98.06791	0.5
98.20472	0.5
99.04388	2.4
101.02296	0.8
111.08006	0.7
113.02317	1.2
115.32156	0.4
119.03407	1.2
119.08519	0.9
125.09620	1.9
127.11178	0.6
135.08058	0.9
137.09619	0.8
149.13239	0.7
165.12778	0.8
171.10182	27.5
172.10527	1.4
175.11192	0.8
177.12764	0.5
179.05511	1.3
183.14056	0.5
193.12285	13.1
194.12589	1.2
203.10565	0.4
211.13348	2.5
221.11778	0.9
225.14902	17.2
226.15251	1.0
243.15970	7.6
244.16360	0.7
253.14389	1.5
270.75052	0.4
291.19766	2.2
305.20987	0.5
323.22064	0.7
332.86258	0.4
341.23306	100.0
342.23642	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.9
69.03364	1.2
69.39993	5.4
71.01250	7.1
84.02036	23.6
85.00070	0.7
85.02807	1.0
88.77132	0.7
89.02317	7.4
97.02827	7.9
99.04395	6.7
101.02330	2.5
109.03025	0.7
113.02314	2.9
119.03364	1.9
119.08589	3.5
125.09586	1.4
127.11191	1.6
135.08072	2.3
137.09644	1.1
143.03403	0.9
161.04402	0.8
171.10176	65.8
172.10538	3.6
179.05537	2.2
192.33260	0.7
235.38245	0.6
253.14468	0.8
291.19739	1.9
309.20505	0.7
341.10895	2.7
341.23312	100.0
342.23618	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10023	0.3
57.34019	0.3
59.01250	6.9
69.03336	1.0
69.24764	0.3
71.01254	4.6
71.08292	0.7
83.04897	0.7
84.02038	16.8
85.02821	0.6
89.02322	5.0
93.39780	0.3
95.04893	0.5
97.02823	10.5
97.06474	3.7
99.04372	3.3
101.02329	2.2
111.08025	0.8
113.02334	1.4
119.03374	1.8
119.08553	2.8
125.09620	1.0
127.11180	1.4
135.08057	1.7
137.09589	1.8
153.09094	0.6
171.10178	54.3
172.10504	2.8
177.12686	0.5
179.05608	1.7
193.12259	4.0
195.13792	0.5
197.11700	0.4
211.13368	0.8
211.63014	0.4
221.11710	0.5
225.14912	5.6
226.15302	0.4
239.12807	1.2
243.15976	2.6
253.14476	1.3
291.19638	7.1
292.19977	0.6
341.10852	1.5
341.23300	100.0
342.23645	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	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.42095	0.3
59.01243	1.3
70.02459	1.2
71.01247	1.1
89.02303	1.4
101.02350	0.3
107.04917	1.1
113.02327	0.4
117.03336	0.3
119.03386	0.7
131.33675	0.2
134.03613	3.6
135.04407	100.0
136.04755	3.9
146.03656	0.3
161.02347	0.6
179.03409	91.1
180.03746	3.9
201.33548	0.3
341.08502	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	341.0877
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.17146	0.2
58.00467	0.3
59.01250	7.1
70.97853	0.5
71.01251	4.0
77.03805	0.2
83.01263	0.2
85.02833	1.1
89.02314	2.9
95.18363	0.2
101.02338	1.8
105.03330	0.4
110.79455	0.2
110.90943	0.2
113.02325	1.2
117.03364	0.3
119.03391	1.0
127.47672	0.2
132.02040	1.4
133.02849	31.1
134.03262	1.0
135.04411	9.7
136.04770	0.3
143.03436	0.3
147.04436	0.2
149.05942	0.7
161.02348	100.0
162.02692	4.2
175.03926	0.4
177.05482	1.2
179.03412	16.3
180.03784	0.5
203.03447	2.3
221.04460	0.7
233.04358	0.2
233.24570	0.2
251.05659	0.8
270.43689	0.2
281.06540	1.6
341.08694	12.1
342.09082	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	341.0879
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
56.38862	0.3
59.01249	3.1
59.01534	0.3
59.50932	0.2
59.90814	0.2
60.21802	0.2
63.40237	0.2
70.83964	0.3
70.84298	0.4
71.01256	2.1
73.02822	0.3
75.66962	0.2
85.02824	0.4
89.02315	2.5
96.95900	0.7
101.02353	1.1
107.04923	0.6
113.02370	0.7
119.03374	0.4
119.04921	0.4
133.02882	0.7
134.03636	2.1
135.04416	75.8
136.04750	3.0
136.75569	0.2
161.02368	2.4
161.04498	0.3
178.02655	0.6
179.03421	100.0
180.03758	4.6
237.32286	0.3
246.57982	0.3
276.84283	0.2
295.57413	0.3
341.08633	11.8
342.08926	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	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.10842	0.5
56.73216	0.5
59.01254	5.3
63.44258	0.4
71.01250	4.4
71.28715	1.0
72.99158	0.5
85.02802	0.5
89.02318	3.4
101.02338	1.8
107.04913	0.5
113.02352	1.3
119.03387	1.7
133.02840	4.6
134.03662	2.9
135.04413	100.0
136.04744	3.5
143.03387	0.6
161.02359	17.4
162.02649	1.0
179.03419	96.1
180.03738	4.2
203.03467	0.7
233.72839	0.5
242.86447	0.4
244.06078	0.5
244.16829	0.4
306.51437	0.5
341.08615	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	340.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65846	0.1
56.43288	0.1
58.02852	0.9
59.01237	0.2
66.31918	0.1
67.25880	0.1
71.01254	0.5
74.27532	0.1
79.05415	0.3
83.04897	0.2
89.02324	0.2
96.61955	0.1
98.20600	0.2
126.42883	0.1
128.10703	3.4
130.08630	100.0
131.08980	3.1
134.69972	0.2
147.11717	0.6
148.14734	0.2
153.12721	0.3
154.12309	0.2
165.12776	0.6
166.55132	0.2
210.18677	0.2
214.60910	0.2
229.08705	0.2
248.20158	0.5
260.20172	0.7
266.21249	0.4
322.20148	0.3
340.21259	61.4
341.21597	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
52.21114	0.4
69.43645	1.6
69.44072	1.6
98.20636	0.6
98.60860	0.4
99.96815	0.4
132.44127	0.4
163.11194	100.0
164.11513	4.8
179.24483	0.4
183.01164	0.5
274.36401	0.4
339.23270	52.3
340.23636	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	339.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01577	1.3
71.50249	0.4
101.02329	0.3
163.11201	0.8
183.01178	0.3
279.23297	6.7
280.23688	0.7
297.24338	41.9
298.24695	3.9
339.25391	10.9
340.25742	1.2
349.73895	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	339.0721
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.01246	13.2
71.49662	2.8
133.02879	7.5
177.01852	100.0
178.02147	5.1
317.47565	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	339.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.4
69.18130	9.7
69.18549	8.3
71.01245	4.3
71.04890	37.0
73.02820	3.5
74.60175	1.5
81.03315	1.7
81.10229	1.6
83.04890	1.5
88.95288	1.4
93.06966	1.9
97.06496	1.7
98.20531	2.7
101.02309	2.8
107.04872	2.6
107.30510	1.5
107.33376	1.8
109.06470	2.8
113.02431	1.5
114.01741	1.5
123.08017	1.8
127.11197	2.3
133.29663	1.5
137.05983	2.5
147.77045	1.8
151.11116	3.7
161.04536	1.8
163.11211	2.3
167.10664	4.9
167.56129	1.6
171.10182	100.0
172.10562	4.8
225.14874	2.8
233.15334	2.8
240.27840	1.7
249.15025	3.3
265.18076	2.6
289.18176	3.1
306.18365	3.3
321.17279	3.5
321.20697	45.7
322.20993	3.6
339.05231	2.4
339.18167	1.6
339.21832	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	338.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.2
57.37218	0.2
58.02851	2.3
59.01247	0.6
59.05974	0.2
61.98703	0.2
63.26728	0.2
69.05559	0.2
69.33937	2.2
73.76688	0.2
78.02321	0.2
92.21622	0.2
96.95877	0.5
110.09564	0.2
121.71377	0.2
128.10698	11.6
129.11073	0.3
130.08629	100.0
131.08977	3.1
144.45259	0.3
147.08055	0.7
165.08995	0.2
172.09708	6.4
173.09932	0.4
235.06093	0.2
276.86185	0.3
338.19714	45.2
339.20032	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	339.072
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
50.83045	0.3
59.01244	2.8
60.30194	0.3
65.00189	1.2
65.03819	1.7
67.01756	0.9
68.99694	0.3
70.76674	0.3
70.89120	0.7
71.01266	0.5
80.02544	0.6
84.90556	0.3
91.01766	51.5
92.02084	1.4
96.95887	0.9
103.27154	0.4
108.02025	1.5
109.02832	15.1
111.85635	0.3
121.02843	1.2
123.04431	0.5
133.02853	1.2
135.00772	100.0
136.01054	3.1
137.02344	3.7
145.22816	0.3
149.02322	1.6
153.01834	57.5
154.02184	2.1
161.02318	1.9
163.69356	0.3
165.04819	0.3
175.03886	0.4
177.01801	1.2
189.01880	1.7
218.62187	0.3
224.75041	0.4
279.05066	1.0
297.06049	0.9
306.14282	0.3
309.07779	0.5
339.07187	22.6
339.42441	0.3
340.07669	2.0
340.11115	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	338.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	2.2
59.01254	0.4
70.90041	0.5
72.67167	0.2
74.13094	0.2
74.90691	0.2
81.03316	0.2
95.04900	0.3
96.95879	0.3
97.06468	0.7
109.06467	0.2
128.10698	10.7
129.10989	0.2
130.08626	100.0
131.08185	0.2
131.08987	3.0
137.75586	0.2
147.08051	0.4
154.08736	0.2
172.09711	2.6
208.32449	0.2
276.99167	0.2
309.61090	0.2
338.19699	43.9
339.20016	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	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97802	0.8
57.03316	0.8
58.00460	2.4
59.01250	77.5
61.18051	0.8
69.03324	1.6
71.01252	43.1
71.48385	1.2
72.99174	4.3
73.02820	1.6
83.01245	1.0
85.02827	9.6
87.00752	2.8
89.02316	46.1
90.02560	0.9
95.01260	2.5
98.43249	0.9
101.02324	28.9
113.02327	18.2
113.09584	1.0
119.03396	22.5
131.03409	2.0
143.03389	2.5
149.04495	1.6
161.04504	1.1
179.05528	2.6
191.05476	0.8
200.48264	0.7
320.16183	1.0
337.15042	100.0
338.15454	8.9
339.26407	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
68.93587	0.8
70.35918	2.9
80.27541	0.7
85.02835	0.9
89.06284	0.8
90.74417	0.8
90.98463	1.1
93.25547	0.8
98.02348	0.7
106.71252	0.9
145.02843	1.1
176.90366	0.8
191.05489	3.5
199.41370	0.8
208.34909	0.7
275.61029	0.9
317.90463	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	337.2384
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
50.80293	0.4
59.01241	3.8
65.45993	0.4
69.99699	1.9
81.10912	0.5
112.53274	0.5
113.09592	0.5
118.96260	0.5
175.03880	0.6
189.84106	0.5
207.54579	0.5
255.23233	0.7
277.21750	1.2
305.21231	6.2
337.23831	100.0
338.24155	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39693	1.5
59.01247	82.3
60.99192	1.8
61.99869	1.4
64.37142	1.4
67.01746	3.5
71.01244	4.4
74.02363	2.4
85.02822	6.5
87.00740	7.8
93.03332	22.2
101.07095	2.2
103.15773	1.5
107.54947	1.7
108.46312	1.4
109.02817	1.6
111.04395	2.8
113.02337	1.6
119.04904	6.4
128.03409	6.5
128.04262	1.5
143.04587	1.9
145.02808	1.8
145.06056	2.9
163.03893	7.5
173.04547	10.7
181.06064	2.7
191.05539	100.0
192.05823	5.3
199.07228	2.0
213.88565	1.6
229.94151	1.6
263.03406	1.7
272.08856	3.2
337.09229	4.2
338.06567	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	337.1479
Annotation	Hapalindole G
Peak:m/z	Relative Intensity
50.01859	1.0
56.97914	7.8
57.03311	1.4
59.01245	10.7
67.59778	1.1
69.40404	1.1
71.49617	1.9
87.99764	3.5
95.04913	1.3
96.95875	1.7
97.06437	2.0
107.08547	1.6
107.83524	1.2
111.02626	1.5
123.08038	1.6
123.99775	3.3
125.09629	4.1
133.06496	3.8
138.01329	1.7
139.02118	1.8
146.33734	1.3
149.09616	2.5
151.02147	3.0
151.11156	1.8
152.02917	2.8
159.55420	1.2
161.09593	1.2
165.03769	2.7
167.05278	10.4
171.10184	2.7
177.09212	1.3
185.11786	5.2
193.03282	1.8
207.10155	3.2
213.50562	1.2
225.11377	2.1
229.08995	16.1
241.15897	1.6
259.16971	2.8
282.09360	1.9
285.14938	3.5
303.15942	6.0
317.07843	1.3
319.13727	13.7
320.14044	1.6
337.14780	100.0
338.15198	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	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10759	1.2
57.03320	1.8
59.01249	12.5
59.82198	1.1
62.81473	1.0
66.60635	1.1
71.01252	14.4
71.19483	2.7
72.99171	3.4
75.00745	13.2
83.01217	1.1
85.02827	13.9
87.00759	5.1
87.04390	100.0
88.04720	1.3
89.02319	3.1
95.01257	3.4
96.06075	1.1
99.00764	7.5
103.00252	1.2
113.02322	16.2
115.00250	1.1
116.08379	1.0
117.01859	2.0
129.01836	1.6
175.02405	1.9
179.41415	1.1
224.66306	1.2
231.05101	2.8
249.06157	12.5
291.04370	1.1
319.10345	3.0
337.11398	50.6
338.11719	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	337.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.4
70.48546	0.2
79.95614	1.4
89.02319	0.3
96.95886	100.0
97.95817	0.4
108.02013	0.2
126.32089	0.2
127.07527	1.2
257.17535	2.4
302.91168	0.2
322.05893	0.2
337.13254	43.4
338.13580	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	337.093
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
59.01247	2.5
67.01747	0.7
69.52707	2.7
71.01249	1.1
73.02811	0.6
84.09212	0.5
85.02819	6.0
87.00743	2.4
93.03329	5.2
94.75150	0.4
99.04359	0.5
106.24937	0.4
109.02827	0.7
111.04393	1.1
119.04879	1.9
127.03916	2.0
131.03667	1.5
132.04109	0.6
133.04785	0.9
145.02844	1.1
163.03986	2.2
173.04509	2.4
191.05536	100.0
191.96165	0.4
192.05872	4.3
211.77075	0.4
256.86240	0.4
308.60968	0.4
337.09268	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	335.2228
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
56.74192	0.3
58.80789	0.3
59.01232	1.0
61.98694	0.5
69.79111	1.8
71.01244	0.7
77.28683	0.3
85.02805	0.4
98.19864	0.4
101.03700	0.4
130.14711	0.4
152.99440	0.5
222.69984	0.3
335.22266	100.0
336.22614	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84160	0.3
58.76393	0.3
59.01249	15.4
61.98693	0.4
71.01258	4.9
71.45242	0.7
73.02817	1.3
78.66018	0.3
79.03049	0.3
81.02045	0.3
83.01259	0.5
85.02822	2.7
87.00764	0.6
92.04936	11.1
92.05492	0.7
93.03330	1.0
94.20982	0.3
96.95872	0.9
97.02820	0.4
99.00758	0.6
101.02339	2.1
102.03399	0.4
108.02048	0.3
111.76675	0.3
113.02322	1.8
116.04947	0.7
118.02869	2.9
119.04928	0.4
120.04448	2.1
128.04984	0.5
130.06482	0.7
131.03668	100.0
132.04457	84.4
133.04829	3.0
136.03969	0.6
144.04439	5.9
146.02318	0.7
146.06073	2.1
157.05280	0.5
158.06027	6.7
159.02946	0.7
160.03922	0.5
161.04454	3.9
161.30528	0.3
172.03984	0.9
173.04550	0.4
174.05522	13.3
175.05847	0.4
186.05521	3.9
191.05537	4.3
203.05563	0.7
276.08728	2.0
294.09799	0.4
321.23111	0.3
336.10904	0.8
337.09055	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	333.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36599	0.6
55.01760	0.8
59.01250	100.0
60.01587	1.0
70.02850	0.7
70.03195	3.0
71.01250	4.6
73.02817	1.4
79.31153	0.6
85.02825	2.2
94.40497	0.6
98.19916	1.2
99.00767	1.1
101.02321	3.9
113.02348	2.2
138.60155	0.6
144.48489	0.6
161.04485	1.7
232.84441	0.7
291.18060	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	333.192
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
57.03310	1.4
59.01248	100.0
71.04876	2.3
71.20620	1.1
71.20951	2.0
83.04904	8.8
85.02819	2.6
85.06449	2.4
89.68456	1.1
93.09541	1.2
95.03455	1.1
95.04906	3.9
97.06467	1.4
101.05968	9.0
109.06468	14.2
113.05908	1.1
115.07519	4.4
137.09593	4.5
138.43622	1.1
139.07561	6.7
155.10646	3.1
247.92667	1.3
271.62759	1.6
273.17099	2.2
308.97699	1.0
315.18045	2.6
333.19177	77.2
334.19464	7.6
345.41684	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	335.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18990	0.8
54.42326	0.8
55.01740	1.1
57.03329	1.3
57.46948	0.9
58.00454	3.9
59.01248	100.0
60.01574	1.0
69.61020	0.8
71.01252	59.9
71.07923	1.7
71.44630	0.9
72.01548	0.9
72.99172	4.8
73.02831	1.8
74.97714	0.8
80.13038	0.8
82.86131	0.8
83.01235	2.1
85.02824	12.0
87.00748	1.7
89.02316	69.4
95.01242	3.7
96.95908	2.5
97.02797	0.9
101.02316	33.0
102.02693	1.1
104.50330	0.9
113.02323	23.4
119.03379	29.0
131.03365	3.4
143.03387	4.0
145.61530	1.0
149.04469	1.5
155.10678	23.8
161.04437	3.1
168.04713	0.8
179.05499	6.3
199.84653	0.9
222.10245	0.9
319.12329	0.9
335.16998	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	332.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
61.69383	0.5
68.46516	0.5
70.80064	0.8
70.80408	1.0
71.01224	0.7
76.71389	0.5
84.04419	15.5
86.87498	0.6
101.02297	0.8
139.11160	5.4
144.23900	0.6
162.02213	100.0
163.02565	2.5
195.50047	0.6
236.03996	0.6
332.15411	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	333.0592
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
57.34624	0.4
59.01248	0.5
65.05346	0.5
65.81300	0.4
70.68665	1.0
70.69026	0.7
78.95773	100.0
96.95896	0.9
96.96840	20.6
123.73555	0.5
150.97887	1.1
152.99486	99.9
153.99805	2.1
163.74736	0.4
171.00549	11.1
223.00078	0.9
241.01140	52.1
242.01534	1.4
259.02316	3.2
333.05902	80.1
334.06238	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	331.189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81788	0.8
57.77753	0.9
59.01231	1.6
63.15287	0.8
67.51422	0.9
68.94386	0.9
69.03327	10.8
69.59252	4.8
71.01249	2.0
82.60699	0.8
84.02042	1.0
86.03706	0.9
97.02828	47.9
98.03152	1.2
111.04408	2.1
125.02338	1.5
125.05970	3.5
152.00783	2.4
153.01822	1.3
165.01672	0.9
168.04170	1.1
178.02432	5.2
183.13974	1.1
191.03174	5.7
195.20045	0.9
210.01385	6.2
219.06384	5.8
222.74048	0.8
233.07941	1.3
233.11600	2.1
234.08612	2.2
261.11072	56.7
262.11838	100.0
263.12222	6.4
294.10818	10.8
310.41891	0.9
313.17996	1.3
331.18918	23.4
332.19229	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	331.2487
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
50.87966	0.2
55.93874	0.2
58.00456	0.4
59.01251	0.6
68.52490	0.3
92.31747	0.3
92.32342	0.3
96.95863	0.5
125.09604	1.6
127.11175	6.7
139.11116	0.3
143.10645	1.3
155.10683	2.0
157.12239	4.4
171.10170	2.7
185.11754	0.4
187.13284	0.9
201.11269	1.6
229.16394	0.3
295.22711	1.3
311.22330	0.9
313.23862	7.7
314.24261	1.1
329.23358	4.4
330.23712	0.8
331.24875	100.0
332.25229	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	331.1765
Annotation	Rosiridin
Peak:m/z	Relative Intensity
53.63278	1.0
54.80257	0.9
55.01744	4.7
57.03318	4.3
58.00459	3.9
59.01249	69.9
60.09273	0.9
60.69088	1.0
71.01254	100.0
71.49522	1.8
72.01582	1.8
72.99179	7.0
73.02444	1.7
73.02819	17.8
75.00725	1.1
78.01409	1.1
83.01257	10.6
85.02824	33.6
87.00737	5.3
89.02316	53.5
95.01261	6.4
95.63026	1.0
96.95897	1.9
97.02831	2.9
99.00750	10.0
101.02323	66.1
102.02628	2.3
111.00768	1.2
113.02328	40.5
119.03396	21.5
123.04412	1.5
125.02319	3.9
129.01831	1.7
131.03387	1.4
135.04391	1.6
143.03352	4.0
149.04408	1.4
151.00281	2.9
151.03894	1.5
152.04210	2.1
157.12213	2.3
159.02914	5.6
161.04469	21.2
162.02121	2.5
179.05487	2.8
203.13011	1.1
205.03447	1.5
271.02332	1.5
288.45944	1.2
292.15509	1.3
300.02667	1.6
313.16516	1.9
331.06741	2.6
331.14063	1.0
331.17682	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	331.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56664	1.1
54.81712	1.1
55.01755	1.5
58.00440	1.7
59.01246	20.6
69.15525	4.6
69.15958	7.6
71.01250	34.0
72.99141	2.0
73.02818	8.0
83.01246	4.3
85.02822	12.2
89.02310	11.7
95.01242	2.7
96.95926	1.5
97.66808	1.1
99.00735	3.1
101.02334	20.3
108.02081	1.4
113.02328	13.8
119.03413	6.3
123.04422	1.1
131.03433	1.4
143.03389	2.1
144.04396	1.2
155.04898	1.2
156.84859	1.1
159.02907	2.4
159.53485	1.0
161.04477	5.9
162.05438	1.7
165.01820	4.6
171.04355	1.5
178.82494	1.0
179.03427	6.6
179.04739	1.2
180.04129	4.5
183.04344	1.9
190.51953	1.1
194.05699	1.7
195.06567	10.4
199.03946	27.9
200.04608	3.9
210.03104	2.2
211.03986	6.5
212.04713	2.2
213.05482	3.7
215.06985	1.7
225.05644	1.7
225.11366	1.5
227.03452	21.9
228.04051	3.7
229.05040	1.6
239.03484	2.9
240.04214	11.0
241.04977	3.0
242.03526	1.3
242.05814	5.2
243.06587	3.1
243.12375	1.5
251.03406	2.6
255.03004	11.6
255.06546	11.1
256.03662	3.0
256.07077	1.6
257.04541	2.1
257.08142	3.0
268.03699	11.0
269.04501	2.4
269.07938	1.7
270.05301	34.4
270.08887	12.2
271.06094	25.3
271.09241	1.7
283.06088	18.2
284.06387	2.5
285.07666	100.0
286.04761	5.0
286.08209	14.9
287.05231	1.5
287.14066	1.6
298.08447	11.6
300.10013	92.1
301.07126	7.9
301.10623	25.4
302.10992	1.6
307.34744	1.5
313.10837	4.3
316.09512	16.5
317.09909	1.9
331.11841	31.1
331.17612	2.8
332.12244	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	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
53.65076	0.6
57.03314	1.0
63.84961	0.7
71.45261	1.8
83.04907	0.8
87.32574	0.7
99.08038	5.3
100.79115	0.6
125.09628	1.6
127.11163	2.9
139.11179	2.9
155.14270	1.2
167.10643	0.8
167.14334	1.2
171.10202	8.4
183.13852	6.6
193.12248	2.5
209.11714	1.6
211.13338	33.1
212.13696	2.6
229.14407	18.3
230.14786	0.7
285.67331	0.8
293.21268	1.1
302.29333	0.7
329.23315	100.0
330.23666	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	331.1188
Annotation	Syringopicrogenin A
Peak:m/z	Relative Intensity
59.01238	5.9
66.85713	1.7
69.44870	15.8
74.89835	1.7
93.03329	24.5
96.95867	2.7
98.20528	3.1
104.11227	1.9
107.88434	2.1
109.99964	3.9
112.40472	1.9
119.04899	15.4
123.93598	1.6
125.02316	6.5
137.99492	6.3
140.00941	2.0
147.04431	30.5
153.01839	98.6
154.02145	3.2
167.03360	5.4
168.04198	54.5
178.20805	2.0
181.01257	6.3
183.06554	100.0
184.06906	6.1
195.01213	3.2
195.02917	52.8
196.03308	2.4
199.41835	1.7
207.02882	2.5
210.05305	11.3
225.07611	20.8
301.07211	2.7
331.11920	19.7
331.15466	2.6
331.19235	1.9
332.12119	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	329.1394
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
50.27880	0.8
57.15372	0.8
59.01242	4.7
59.86607	0.8
67.65268	0.8
71.01244	1.0
71.49364	1.1
75.84465	0.7
78.95760	0.9
79.95589	1.0
83.37250	0.9
87.04397	0.8
93.03285	1.0
96.95866	2.0
98.95465	1.6
108.02047	1.2
109.02827	1.4
115.05415	1.2
119.04901	0.8
121.02846	15.4
122.03645	3.8
123.00757	1.9
124.01534	3.3
131.03392	2.7
131.04910	1.4
136.05200	2.7
137.02299	1.9
137.05960	1.2
138.03123	1.1
143.04904	3.3
145.02843	2.2
146.03648	1.5
147.04425	10.6
149.02365	6.4
149.05962	1.0
150.03130	22.6
151.03850	1.0
153.05444	2.3
154.02589	0.9
158.03654	13.1
159.04427	42.6
160.05212	99.9
161.05995	39.4
162.03137	1.6
162.06282	1.7
163.03906	16.1
164.04697	14.8
173.06010	13.9
175.07562	74.9
176.04765	1.6
176.07965	4.8
177.05487	22.1
178.06264	12.6
193.04836	1.0
193.08655	8.4
225.14871	0.9
238.01306	1.0
249.15088	0.9
267.15973	0.9
285.00903	1.2
314.11465	2.2
329.13898	100.0
330.14243	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	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
59.01246	5.8
59.14072	0.6
61.98674	0.9
69.91331	3.6
71.01230	1.1
71.96548	0.6
73.02807	1.4
74.14801	0.6
84.33183	0.5
96.95885	0.8
100.81271	0.7
111.00735	1.0
121.02827	0.9
127.11178	3.2
129.75220	0.6
139.00281	2.4
142.05070	0.7
154.02585	1.8
155.10672	3.5
157.12247	12.1
158.12596	0.6
169.04993	1.6
171.10172	100.0
172.10529	3.8
193.01434	1.1
201.11269	2.9
205.30579	0.6
223.51863	0.6
299.05469	1.0
311.22299	1.9
312.42102	0.6
314.07980	1.0
329.10367	1.3
329.13913	1.4
329.23322	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01600	1.2
68.09103	0.9
70.71168	1.2
70.71506	1.5
71.01247	4.3
73.02813	1.4
75.00763	1.1
85.02831	2.4
89.02345	1.1
93.03444	0.9
96.95889	3.0
101.02333	3.3
113.02311	1.7
113.39867	0.9
117.77746	0.9
123.04407	1.9
135.04442	0.8
149.02324	2.3
161.04466	3.5
167.03415	5.2
193.82843	1.0
196.03728	1.5
212.96136	0.9
269.10342	3.9
303.71820	0.9
314.07852	1.7
329.09146	3.5
329.12201	1.3
329.15479	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88659	1.3
52.56206	1.4
59.01249	100.0
66.74128	1.2
71.01254	4.8
71.49862	2.2
73.02805	2.2
79.95611	1.6
85.02813	2.1
86.63625	1.3
96.95876	13.4
101.02316	5.3
113.02294	1.3
123.00751	1.8
123.04375	2.8
130.08620	1.7
133.05197	2.4
134.03680	1.4
161.02306	3.0
161.04427	3.2
162.02573	1.9
167.03410	11.7
192.02820	1.5
211.45340	1.7
242.47766	1.4
253.08408	2.0
269.10233	3.9
286.17517	1.6
311.11157	4.3
329.09259	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	329.1029
Annotation	2'-Hydroxymatteucinol
Peak:m/z	Relative Intensity
54.91890	1.1
59.01252	8.6
61.98697	2.3
65.00174	1.7
69.20846	1.1
69.40633	5.6
69.41058	3.4
71.01241	1.6
71.92229	1.1
75.46217	1.0
80.44839	1.1
93.03331	15.5
95.01241	2.1
106.04112	1.6
107.04910	82.9
108.02044	2.6
108.05229	2.5
109.02831	4.3
117.03351	9.8
119.04917	56.1
120.05270	2.3
121.02879	1.9
122.54382	1.0
124.01504	1.3
127.11186	2.5
131.04944	6.7
133.02841	10.4
135.04422	1.5
137.02322	3.9
138.03127	46.5
139.03452	1.5
141.43768	1.3
145.02846	6.7
147.04431	4.2
149.02344	3.0
149.05954	1.2
151.03906	1.4
153.01842	4.7
153.05489	100.0
154.05775	3.5
161.02336	1.6
165.01863	11.0
166.60782	1.2
168.04228	2.5
171.10213	1.5
178.02638	1.5
179.03496	2.3
191.03474	1.5
193.04965	2.7
195.06558	18.8
196.06866	1.3
210.01726	1.6
211.13362	1.9
223.06059	8.2
249.05644	1.6
264.04285	8.5
265.05011	1.7
267.02902	4.1
279.06561	3.5
281.04587	4.2
282.05164	1.8
286.08044	1.7
289.51819	1.2
297.07666	31.2
298.07962	2.7
299.09265	40.8
300.09619	2.7
311.09235	12.1
311.22287	2.6
328.22064	3.0
329.07092	2.1
329.10306	57.7
329.16962	2.0
329.23254	32.8
330.10529	6.4
330.23538	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	329.1029
Annotation	69616-74-6
Peak:m/z	Relative Intensity
54.60515	0.4
56.81468	0.5
59.01249	1.4
62.40992	0.4
63.85825	0.4
65.00200	1.4
67.01762	1.1
69.23840	1.0
69.24249	3.2
83.01250	1.4
92.99715	0.5
93.03338	9.0
95.01263	0.6
96.99199	0.6
98.19811	0.6
111.00764	42.0
112.01102	1.1
120.99280	0.5
123.00801	0.8
124.01555	3.3
125.02313	0.6
133.06491	12.1
134.57404	0.4
134.58318	0.4
136.98697	2.2
137.02312	1.0
139.00269	100.0
139.03897	1.6
140.00563	2.5
149.02339	1.4
151.00337	1.0
153.01860	1.6
154.02623	54.0
155.02950	1.6
157.06590	0.5
164.98204	10.5
165.01854	2.1
165.99008	0.9
166.99773	2.4
169.04980	66.7
170.05254	2.7
180.00575	2.8
182.02173	1.1
185.05959	0.8
192.00577	1.7
193.01357	35.9
194.01738	1.4
199.07590	0.6
205.01338	0.7
206.02147	0.5
207.02882	1.0
208.03709	16.5
209.04057	1.0
209.05963	0.9
223.06070	23.7
224.06415	1.2
235.06113	0.8
237.05632	0.8
253.05099	0.5
255.06648	1.4
271.06131	1.5
281.04486	1.9
299.05606	40.4
300.05865	3.6
314.05151	0.5
314.07947	29.4
315.08237	1.9
329.10303	33.2
329.23145	2.5
330.10535	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	328.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81244	0.4
59.01244	1.4
61.98701	0.4
62.12035	0.5
71.01241	0.6
72.87154	0.5
93.03318	4.3
117.03344	1.3
119.04905	1.0
121.02843	3.3
123.04404	1.1
127.00719	0.5
132.02086	2.1
132.04457	0.7
133.02914	7.9
133.05229	54.5
134.03641	12.2
134.06079	2.3
135.04422	8.3
137.02339	0.5
145.02850	1.4
147.04436	0.9
148.05205	9.0
149.02330	0.6
149.04797	0.7
149.05969	6.2
152.07065	0.5
160.01581	9.8
160.03954	2.2
161.02353	81.4
162.02699	2.9
175.02528	0.6
175.03940	8.7
177.04152	0.6
178.04974	2.8
178.34048	0.4
190.05066	3.0
194.02068	0.5
202.05104	0.5
208.50873	0.5
229.85445	0.5
234.07715	1.4
242.12135	0.6
248.34532	0.6
252.07939	4.2
295.08481	10.7
296.08871	1.0
310.10846	100.0
311.11188	10.2
313.09726	0.6
328.08319	1.0
328.11874	9.8
328.15448	0.9
329.12357	0.6
339.57794	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87239	0.6
52.48703	0.7
52.59331	0.7
55.01756	1.7
57.03301	1.5
59.01238	3.1
63.03748	0.7
69.03308	0.8
71.01251	1.1
71.04892	2.0
71.49141	0.7
71.49626	0.9
73.02819	6.8
81.03326	0.9
83.04898	3.8
84.02032	1.4
95.33925	0.7
97.06449	5.8
99.08027	2.6
111.08052	0.7
112.05187	7.1
113.09633	0.9
115.07526	6.0
115.72202	0.6
125.09567	1.5
127.07534	1.7
127.11174	6.5
129.09105	10.5
137.09575	0.9
139.11108	1.0
141.09094	5.4
141.12659	0.8
151.28561	0.6
155.10678	84.9
156.10971	3.8
163.11159	1.9
165.12756	2.4
171.10178	58.0
172.10477	2.1
173.35260	0.6
174.43597	0.7
179.26160	0.6
181.12311	1.9
183.01054	1.4
185.11742	21.5
186.12102	0.9
193.12193	1.0
197.11757	19.8
198.12189	0.9
201.11232	1.2
209.11765	33.1
210.12112	2.2
211.13307	1.9
213.14738	0.7
223.16878	1.0
227.12868	5.0
228.13075	0.8
247.20798	1.8
280.17166	0.7
281.21085	1.6
284.03296	1.1
291.19629	13.9
292.20023	1.2
299.22461	1.3
309.20688	40.1
310.20935	3.8
327.21741	100.0
328.22110	9.7
341.27246	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	328.0452
Annotation	cAMP
Peak:m/z	Relative Intensity
52.93322	0.6
84.04173	0.5
107.03520	2.7
134.04620	100.0
135.04990	2.3
177.98280	0.6
196.46606	0.6
231.72678	0.7
328.04630	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	328.1191
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
50.68543	0.4
54.50086	0.4
59.01245	0.7
60.68716	0.4
67.99421	0.4
71.50414	0.7
91.05413	0.7
93.03296	0.6
93.34933	0.4
104.42054	0.4
106.55308	0.4
107.04887	1.5
108.02064	0.4
109.02851	0.7
112.66702	0.3
121.02895	0.4
122.03646	2.8
123.04423	6.6
129.10158	0.5
132.02013	0.6
133.02866	0.7
134.03632	17.9
135.04414	36.1
136.03896	1.3
136.04776	0.9
137.02307	0.4
147.04417	3.6
148.05199	38.8
149.02353	0.5
149.04712	1.5
149.05948	8.8
150.03091	0.6
150.06398	0.5
151.06299	1.1
152.07071	13.5
153.07385	0.5
160.01553	3.5
160.03941	1.4
161.02365	2.6
166.08687	0.7
175.02670	0.3
175.03931	8.2
176.03459	1.5
177.04222	2.6
178.05016	36.2
179.05399	1.5
179.84795	0.4
185.99345	0.4
189.04401	0.4
190.05020	11.9
191.05432	1.0
192.06554	1.4
194.01872	0.4
204.06470	0.6
213.14844	0.4
227.49341	0.4
269.08218	0.7
313.09470	2.4
328.11877	100.0
329.12201	9.3
333.13037	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03318	1.8
57.98799	0.5
58.00456	0.5
59.01246	0.6
62.12742	0.4
64.12531	0.5
69.03327	1.4
69.60584	3.3
71.01256	1.2
74.78286	0.5
83.04898	0.9
84.02039	0.8
85.02828	7.1
95.04881	1.0
96.45588	0.4
97.02840	0.7
97.06452	6.0
99.31267	0.4
110.03612	0.9
111.22185	0.5
125.09618	1.8
127.11189	2.6
132.53633	0.5
137.09621	1.1
139.86707	0.5
149.02065	0.5
149.09698	0.5
155.10672	0.9
155.14287	0.5
165.09319	0.5
165.12714	1.3
167.14288	1.3
169.15521	0.4
171.10187	13.1
175.11217	0.5
177.12775	1.1
181.12267	0.9
183.13832	6.3
185.11752	1.7
193.12259	1.9
197.11800	1.0
203.10693	1.3
209.11797	1.8
211.13341	30.2
212.13672	1.4
221.11813	3.9
222.12105	0.7
227.26910	0.5
229.14407	17.4
230.14796	0.9
239.12784	2.7
246.16965	0.6
247.20665	0.5
291.19699	4.2
309.20654	1.5
317.78323	0.6
327.21762	100.0
328.22122	10.5
330.27377	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.28230	0.8
52.26367	0.9
53.14928	0.8
57.03324	1.4
59.01253	0.9
69.03326	1.4
70.99439	1.6
70.99778	1.2
71.01225	1.5
71.04897	1.3
73.02431	1.2
73.02823	5.1
75.30573	0.8
81.98151	0.9
83.04876	1.2
90.26113	0.9
97.06456	2.0
98.03616	1.8
99.08038	2.0
105.56858	0.9
112.05154	3.0
113.09612	1.1
115.07511	3.4
125.09644	2.0
127.07509	4.1
127.11182	2.4
129.09105	31.4
130.09407	0.7
141.09126	11.4
141.12714	1.1
155.10689	26.0
156.11009	1.1
165.12820	1.0
171.10170	23.0
172.10565	1.2
185.11758	44.7
186.12149	2.5
197.11761	41.4
198.12056	2.2
209.11742	8.3
210.12112	0.9
211.13249	1.2
247.20636	1.7
273.18704	1.6
291.19632	16.3
292.20013	1.8
309.20709	31.7
310.21072	3.5
327.21756	100.0
328.22055	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95018	2.4
59.01240	10.2
62.06709	2.3
71.19236	2.9
71.19571	4.7
85.54473	2.6
97.60159	2.4
113.21546	2.5
116.89965	2.4
134.04622	100.0
151.83781	2.9
153.73434	2.5
164.03355	3.3
302.18271	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	326.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80581	0.6
59.01229	0.9
71.48908	0.6
71.49367	0.9
74.50049	0.6
114.09129	5.2
116.07060	100.0
117.07418	2.1
121.02858	0.9
123.04424	0.5
127.36928	0.5
147.11717	0.6
232.79773	0.6
246.18686	1.3
326.06772	0.9
326.19717	52.0
326.36868	0.6
327.19836	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	327.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.0
57.03318	2.6
58.00451	2.5
59.01248	100.0
62.19889	2.5
68.29356	2.4
71.01248	43.4
73.02814	48.5
73.15607	2.4
73.15996	2.3
83.01250	15.2
85.02820	10.2
87.00736	3.3
89.02290	10.1
93.03297	5.4
96.92020	2.4
96.95868	4.0
101.02320	40.5
107.04876	5.1
110.69842	2.4
113.02330	15.8
113.04711	2.6
118.50265	2.9
119.04844	3.3
121.02795	5.7
123.04405	91.5
124.04745	3.7
125.02318	4.5
131.03392	3.3
134.67458	2.6
135.04440	3.6
147.04384	10.9
161.04471	8.4
165.05533	5.0
165.07559	2.7
170.70979	2.4
194.77965	3.0
230.14197	3.2
237.22887	2.4
267.08749	31.0
285.09753	48.6
286.10217	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.94486	0.3
54.87581	0.4
57.03327	1.0
58.00460	1.6
59.01248	7.3
61.98689	1.2
69.03326	2.0
71.01241	1.7
71.50691	0.8
73.02795	0.7
76.13506	0.4
83.04896	0.8
87.04362	0.8
89.02307	1.0
93.03349	0.6
97.06451	1.9
99.08012	0.5
101.02298	0.7
106.85110	0.4
109.06431	0.8
111.08045	6.4
113.02322	0.4
119.08515	1.1
125.09631	1.4
127.07507	1.4
127.11189	0.9
128.09096	0.4
131.08983	0.5
135.08041	0.9
137.09636	5.2
141.39064	0.4
145.17389	0.4
153.09096	0.8
153.12724	0.8
155.10709	0.8
161.02489	0.5
169.12231	5.4
169.88399	0.5
171.10182	19.5
172.10524	1.5
177.12859	0.7
179.10706	0.5
181.12270	1.7
183.13835	0.6
185.11765	2.2
193.12279	0.5
195.13820	0.7
197.11763	35.9
198.12029	2.2
199.13335	5.1
201.11307	4.8
209.11810	2.1
211.13353	4.5
221.11684	1.4
227.12862	0.9
229.14404	0.8
239.12746	0.9
239.16525	4.7
267.11090	0.6
267.69815	0.5
291.19702	4.5
297.04224	0.8
309.20743	5.7
310.21158	0.4
327.21756	100.0
328.18506	0.6
328.22150	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
51.68375	0.5
53.03769	0.5
59.01232	2.3
59.01503	0.6
71.01247	0.5
71.50220	0.7
100.06510	0.5
101.02291	0.8
101.17796	0.5
114.47041	0.6
119.04909	0.8
146.67700	0.5
149.09622	96.5
150.09943	4.9
151.04045	0.5
157.22832	0.5
163.11197	100.0
164.11536	6.1
183.01143	19.9
184.01692	0.9
193.07153	1.2
197.02710	1.0
216.01050	0.7
217.51617	0.5
325.18378	38.3
325.21790	93.7
326.18695	4.7
326.22165	10.2
326.27945	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05193	0.6
55.90307	0.7
57.03316	1.1
59.01249	4.6
71.01279	1.3
71.04893	0.8
84.24152	0.6
85.02853	0.7
97.06463	0.8
101.02318	1.5
113.02292	0.7
125.09641	4.9
127.11207	1.2
139.11198	1.9
152.99478	0.7
153.09108	1.0
154.09911	0.9
157.56587	0.6
163.06044	1.0
163.11203	3.4
167.10692	3.3
177.12759	2.5
181.12276	2.1
183.01115	4.7
193.07100	1.8
195.13823	11.4
197.02696	9.3
197.11786	5.0
202.67024	0.6
211.13226	1.5
230.02594	0.9
249.22121	0.7
265.21613	0.9
275.20044	1.2
276.04172	0.7
293.21207	14.3
294.21591	1.4
295.47437	0.7
307.22739	3.0
309.20715	2.9
310.21490	6.0
316.12930	0.7
325.07123	2.4
325.11273	1.6
325.18375	25.1
325.23795	100.0
326.18668	3.4
326.24213	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.63604	1.1
59.01247	10.8
69.03326	1.3
71.01260	2.6
73.02815	3.1
80.02525	2.1
81.03330	2.5
83.04891	6.4
84.02048	1.7
85.02834	2.1
87.64140	1.0
89.02322	2.1
97.06470	2.2
98.19765	2.5
99.07996	1.1
101.02325	4.5
106.28484	1.2
112.05150	1.6
113.02338	1.8
115.07561	8.5
125.05934	1.3
125.09594	3.4
127.11097	1.1
133.91426	1.1
137.09618	1.2
140.41908	1.1
155.10704	6.5
163.03909	1.4
163.06070	1.6
163.11211	7.6
165.12770	3.5
177.94780	1.3
178.09943	6.4
181.12253	1.4
188.54514	1.1
191.10664	1.7
193.07130	5.1
209.11780	95.1
210.12093	4.4
229.52882	1.4
245.19109	1.5
263.19897	1.2
269.80511	1.2
279.19467	1.5
281.21115	1.4
289.18100	5.1
307.19141	100.0
308.19485	10.2
325.07391	1.7
325.11194	4.2
325.14587	1.5
325.20068	9.4
325.23727	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21399	1.0
57.03310	1.7
59.01244	3.4
66.97256	1.1
69.03313	1.3
70.04388	4.8
71.01260	6.4
71.04881	1.6
72.01997	1.7
72.96001	1.0
73.02791	1.2
80.02545	1.8
83.04879	6.7
84.02035	4.3
85.02797	2.4
88.85612	1.0
95.04897	2.9
97.06434	3.4
99.04350	1.7
99.08025	3.2
112.05178	1.6
115.07513	2.3
123.08034	1.8
125.09622	7.0
127.07543	16.5
127.11276	1.3
135.08058	2.9
139.07524	4.2
153.09143	15.8
155.10654	3.6
163.11183	3.9
165.12747	2.5
171.10193	20.8
178.09891	3.7
181.12227	1.7
185.11757	21.1
186.12080	1.4
191.10684	1.5
197.11766	18.0
198.12120	1.3
207.10277	1.5
209.11774	80.3
210.12009	4.5
227.12762	2.0
238.12056	7.2
245.19112	2.7
256.13074	3.8
263.20114	1.7
279.19705	2.5
289.18137	12.1
307.19144	100.0
308.19516	9.7
325.03598	1.8
325.20175	46.8
326.20618	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59126	1.0
52.90069	1.1
57.03315	5.3
58.00461	4.0
58.63426	0.9
59.01245	4.9
71.01244	3.7
71.04896	3.4
71.36240	1.6
71.36592	1.7
73.02806	1.8
80.02518	2.3
80.78239	1.1
83.04897	3.5
84.02018	1.6
85.11414	1.0
85.46276	1.1
87.04401	2.4
97.02835	1.7
97.06468	3.7
109.06451	4.7
110.03626	1.2
111.07304	1.7
111.08044	23.7
123.08048	3.5
125.09615	29.6
127.07516	1.3
127.11187	11.0
135.08023	2.5
137.09624	8.4
138.09981	1.3
139.11142	2.4
141.09077	4.1
149.09572	1.4
151.11224	5.0
153.09117	4.8
155.10690	5.6
164.08337	3.0
165.09079	4.1
167.10674	1.4
169.08452	1.3
169.12202	3.6
171.10191	18.0
172.10551	1.4
177.09038	1.2
183.10211	2.1
193.07104	1.2
193.12144	1.5
195.10225	4.1
197.11755	9.8
199.09706	3.7
199.13391	1.3
201.11255	79.2
202.11601	3.2
209.11794	5.0
211.13330	16.3
213.11266	56.0
214.11612	2.9
227.12869	2.3
233.11504	1.4
235.13406	5.9
237.14854	1.6
245.18994	2.8
250.12192	2.0
255.16035	1.2
263.20117	1.8
266.18784	1.1
281.17816	1.1
289.18088	22.8
290.18564	2.4
307.19144	48.1
308.19427	3.4
325.20172	100.0
326.20578	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	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
57.03325	1.1
59.01250	10.9
59.50577	1.3
71.01238	3.6
71.50321	1.3
73.02799	2.1
83.01289	1.4
83.26163	1.1
85.02872	1.7
89.02323	1.6
101.02327	3.6
112.94924	1.2
113.02321	1.1
121.02849	6.8
122.03642	4.3
125.09606	2.4
161.04611	1.5
163.06059	2.0
164.08318	1.7
167.14365	6.9
168.04173	1.7
192.21706	1.2
193.07079	7.7
193.15927	4.1
207.17503	4.2
231.17474	2.6
233.15561	2.0
247.17094	1.5
249.18576	34.9
250.18924	2.6
275.16522	25.6
276.16760	2.7
281.21176	8.3
293.17590	100.0
294.17947	8.1
307.19308	7.3
325.07248	5.3
325.11469	4.6
325.20230	77.9
325.23563	3.7
326.20554	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03315	4.6
57.20367	2.0
58.00461	6.0
59.01252	26.6
61.98676	2.3
69.03322	3.5
70.52927	6.9
71.01250	21.0
73.02809	6.2
81.03322	3.0
83.01269	3.4
83.04884	6.7
84.02054	6.0
85.02828	8.0
89.02324	4.2
95.04903	3.6
97.06441	3.7
99.08038	5.0
101.02326	7.5
109.06475	3.9
111.08038	30.4
113.02312	3.7
115.07482	3.3
121.06487	1.9
123.08045	8.0
125.09624	11.7
125.10427	1.9
127.07542	18.3
127.11169	4.0
134.04678	3.5
135.08038	8.2
137.09572	5.2
139.07529	4.1
141.09143	2.9
143.52940	2.1
149.09686	2.2
151.11163	3.1
153.09119	9.6
153.12721	3.1
155.10663	8.9
163.11183	5.5
165.12730	4.8
167.10684	5.4
169.12256	5.9
171.10182	53.9
178.09875	3.1
183.01132	6.5
183.10292	5.9
185.11751	48.0
193.07077	12.5
194.50798	2.2
195.10214	5.0
197.11768	40.8
199.13329	15.9
201.11264	42.6
201.70015	2.0
207.10234	2.5
209.11758	74.9
210.12224	2.2
213.11282	10.4
215.12955	4.0
227.12845	56.7
228.13174	3.7
229.14391	7.1
235.13493	3.0
238.12181	6.5
245.19092	5.8
253.18053	2.9
256.13342	2.8
263.20074	3.2
281.21048	2.2
289.18143	14.7
290.48862	2.4
293.60693	2.6
307.19138	100.0
308.19528	6.7
325.11319	9.4
325.14816	9.2
325.20209	92.2
325.24173	3.3
326.20630	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	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03324	5.4
57.19411	3.0
59.01254	25.6
71.01250	9.7
71.04888	3.2
71.49578	3.2
73.02849	7.1
74.68429	2.7
80.02548	3.5
83.04913	3.7
85.02833	6.2
89.02332	5.2
96.27922	2.9
97.06465	6.2
101.02334	9.2
107.22143	3.2
113.02280	3.5
115.07514	4.0
119.66248	2.8
120.09422	3.0
123.08034	3.5
125.09612	27.6
137.09630	10.7
155.10648	4.6
165.12772	5.3
167.14360	16.8
171.10193	4.8
183.01158	6.9
193.07057	10.7
193.15869	9.3
207.17470	9.9
209.11757	54.9
223.16933	3.5
242.10237	3.3
249.18546	29.7
281.21182	23.1
289.18115	6.8
291.19623	4.7
293.17603	6.8
302.97629	3.0
307.19162	100.0
308.19409	7.1
316.73297	3.2
325.07321	6.3
325.11169	7.7
325.20032	26.1
325.23904	9.0
326.24121	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	324.218
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
51.68687	0.2
54.43475	0.2
58.02853	0.8
59.01247	0.8
69.84650	1.0
71.01230	0.3
83.04903	0.2
85.02803	0.3
90.30618	0.2
96.95843	0.2
98.19865	0.3
128.10701	2.4
130.08630	100.0
131.08981	2.8
153.09111	0.6
154.12215	0.3
165.12666	0.3
171.10211	0.8
185.11711	0.4
193.07086	0.4
209.11765	2.9
262.21741	0.8
280.22894	0.5
289.17749	0.2
293.12308	0.2
307.19199	1.9
324.21783	50.8
325.22504	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	325.0564
Annotation	cis-fertaric acid
Peak:m/z	Relative Intensity
55.12270	1.3
58.07545	1.2
59.01250	38.0
70.23714	2.2
70.24116	3.8
71.01234	3.1
71.97108	1.6
72.99190	3.9
76.72217	1.2
87.00751	24.1
96.95896	13.8
101.02302	1.8
103.00255	19.9
112.98615	1.6
117.03320	7.4
121.68851	1.8
129.47939	1.4
130.99734	6.2
134.03633	54.5
134.04659	3.1
135.03893	1.5
137.02344	4.9
145.02861	33.2
146.03113	1.8
149.00826	10.4
149.06007	10.6
163.03917	2.8
178.02626	19.3
179.03006	1.5
193.04993	100.0
194.05354	6.2
224.36716	1.4
226.32291	1.6
236.72575	1.5
239.37047	1.3
295.47916	1.6
325.09177	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	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
55.19207	0.4
58.59740	0.4
59.01238	1.2
63.99535	0.4
70.69990	0.8
70.70355	0.8
71.01234	0.5
73.02843	0.4
93.03336	0.4
96.95878	0.4
99.75894	0.4
101.02296	0.8
114.05472	0.5
117.03368	0.6
119.04912	100.0
120.05235	3.4
145.02843	2.9
163.03911	56.5
164.04248	2.6
193.07091	0.6
325.09311	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	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03326	4.6
59.01251	32.8
61.98693	1.9
69.03326	1.9
70.00674	7.0
71.01244	13.3
71.04901	11.5
73.02799	3.4
74.16030	2.1
83.01263	3.5
83.04903	3.2
85.02811	8.5
89.02333	9.0
95.01239	2.6
97.06464	4.3
101.02302	5.8
113.02334	13.8
119.08518	2.4
121.10114	15.5
125.09611	12.9
137.09622	15.7
143.03340	1.9
149.09613	5.5
161.04456	7.5
163.11194	2.2
171.10199	23.7
177.12701	2.8
185.11740	20.3
197.11723	4.0
209.11777	3.5
211.13255	2.0
217.15872	3.2
235.16972	1.9
273.18591	6.7
291.19656	100.0
292.20010	6.1
305.17731	4.5
305.21179	39.5
306.21741	2.7
323.09790	7.9
323.18704	4.6
323.22223	57.4
324.22733	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	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03317	2.3
59.01251	18.5
66.37551	1.2
69.24265	13.5
71.01247	6.2
85.02821	3.5
87.00713	1.8
89.02317	3.3
90.86149	1.1
101.02340	4.4
107.08521	1.4
111.08073	1.5
113.02296	5.9
125.09567	1.6
139.11133	1.6
161.04454	2.9
165.12790	4.6
167.10648	2.2
193.12177	2.6
193.15976	1.7
199.13423	1.5
219.51666	1.1
237.14839	1.7
237.73334	1.7
247.20615	3.9
261.15341	1.3
273.18552	4.3
291.19662	100.0
292.20013	6.1
305.21167	1.5
308.16870	1.4
308.19772	6.7
323.09735	3.7
323.16672	7.0
323.22260	93.3
324.22549	10.1
348.45291	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.13955	0.9
57.03318	1.9
59.01250	11.6
69.03338	1.0
69.94894	3.1
71.01237	4.4
80.02617	1.0
81.03329	1.9
85.02799	1.6
86.87521	0.9
89.02283	2.0
92.41209	1.0
95.04903	1.0
96.62956	0.9
97.02876	1.1
98.19810	1.1
99.00783	1.2
101.02341	1.9
108.02020	1.0
113.02316	2.2
117.33562	0.9
123.04396	3.4
123.08044	4.7
125.09580	4.1
137.09549	1.1
139.11188	2.7
151.07532	1.8
152.08357	1.5
161.04395	1.8
163.11194	3.1
165.09109	1.3
165.12636	1.3
177.12729	4.0
181.12323	1.7
193.12193	0.9
195.13843	6.2
197.11678	1.7
221.11794	16.1
221.15373	2.7
239.12875	2.9
247.20589	1.9
253.14436	14.8
254.15097	3.1
273.18674	1.7
291.19638	38.1
292.20041	2.7
305.21222	17.0
306.21451	1.6
307.19070	2.0
308.19894	8.3
323.22238	100.0
324.22690	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01581	0.9
69.23985	3.6
69.24388	0.8
71.01257	3.4
73.02821	0.7
79.95612	0.6
83.01284	0.5
85.02820	1.7
89.02308	0.8
96.95864	5.1
98.20591	0.8
98.95480	3.3
98.96158	0.5
101.02314	3.2
113.02346	1.6
119.04900	0.8
125.02346	0.5
125.64622	0.5
130.93620	0.5
161.02455	0.7
161.04543	1.7
215.85347	0.5
229.00121	0.6
241.00192	5.4
242.00542	0.6
242.99754	5.8
249.53796	0.5
263.15005	3.2
280.05096	0.4
308.04395	0.9
322.95816	1.6
323.07047	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03329	17.6
59.01250	67.1
61.98697	13.7
64.60667	3.0
69.03342	5.4
70.34318	12.4
71.01251	32.3
71.04904	12.1
72.99184	3.5
73.02853	3.9
80.67422	3.6
81.03339	7.7
83.01260	9.6
83.04889	13.6
85.02834	16.8
87.00758	4.4
89.02315	15.6
93.03337	6.0
95.01263	7.9
95.04916	16.9
96.95931	6.5
97.02856	5.8
97.06436	19.6
101.02319	12.6
106.04115	6.1
107.04871	7.5
109.06454	17.5
110.93776	3.3
111.04372	6.0
113.02348	17.4
113.05986	5.3
121.02839	7.6
121.06526	4.8
123.08078	4.2
125.09591	14.4
135.08055	14.6
140.42528	3.4
149.09610	4.8
151.11163	14.2
153.09125	4.6
160.58260	3.4
161.04459	10.1
161.05724	3.3
163.11209	13.0
165.12749	16.8
169.12254	3.9
171.10075	6.5
177.12746	3.8
179.10654	6.8
181.12302	23.0
185.11775	11.5
189.12802	7.9
191.10742	11.1
195.10126	6.4
197.11821	3.4
203.14423	8.4
207.10197	7.0
209.11786	100.0
210.12154	5.7
225.11279	4.4
237.14943	35.0
243.17480	6.3
247.13293	9.3
265.14520	11.4
274.00851	3.3
287.16547	25.2
305.17645	38.5
323.09842	9.8
323.15179	5.5
323.18649	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
52.49770	1.7
57.03304	2.8
59.01252	35.7
60.32275	1.5
61.98712	9.3
69.03326	2.6
70.76283	5.2
71.01253	15.0
71.04896	2.6
73.02828	2.2
80.02560	1.8
81.03334	5.2
83.04903	9.1
85.02809	4.8
87.04392	5.3
89.02319	7.0
93.03347	2.6
93.87321	1.8
95.04900	8.2
97.06455	5.5
101.02335	6.6
107.04910	15.5
109.06454	5.7
110.03619	2.5
111.04409	4.0
112.71029	1.7
113.01640	2.4
113.02289	10.2
113.05945	2.1
115.07597	2.3
119.03384	2.4
121.02859	3.0
123.07991	3.4
125.02365	2.4
125.05959	5.5
125.09619	9.0
127.11180	2.8
133.02823	2.1
135.08070	9.0
151.07576	2.8
151.11240	2.0
152.76587	1.8
153.09113	17.8
161.04407	4.3
163.11208	8.3
165.01964	2.3
165.12767	7.4
171.10190	40.9
176.08392	2.5
178.09813	3.0
181.12242	2.9
185.11729	3.7
191.10619	3.0
197.11754	12.4
207.10213	7.4
209.11774	100.0
210.12163	4.8
225.11166	8.3
235.13356	5.4
236.10475	2.6
251.56364	2.1
261.18552	6.1
277.18268	3.2
279.15921	2.7
279.19592	4.0
287.16516	13.0
290.16879	2.1
305.17572	98.1
306.17838	10.6
307.02380	1.8
323.06137	3.2
323.09842	6.5
323.18576	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50267	3.5
57.19525	3.5
59.01247	100.0
70.51197	7.9
70.51572	13.7
71.01252	50.8
72.07916	3.3
72.99189	7.0
75.71229	3.7
80.50379	3.5
85.02808	10.3
89.02317	50.5
101.02335	25.9
103.83559	4.1
113.02325	17.8
118.90388	3.7
119.03384	23.7
143.03349	6.8
168.65210	3.9
204.79836	4.2
216.75159	3.9
323.09531	5.3
323.13361	85.4
324.13684	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	323.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82013	1.4
55.01759	4.6
56.38695	1.6
58.57610	1.6
59.01250	9.5
59.97416	1.4
68.90451	1.5
69.03327	100.0
69.73512	9.9
70.03668	1.6
71.01259	5.2
72.99173	1.9
85.02841	3.0
89.02293	2.2
93.03325	8.1
95.01292	4.3
96.95911	3.1
97.02833	23.5
99.00765	30.4
107.34283	1.5
113.02377	3.0
137.02348	7.9
141.01854	6.0
145.07599	7.9
185.00851	37.1
186.01170	2.2
203.01918	4.0
323.03979	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	323.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11631	1.1
58.13210	1.1
58.33774	1.0
59.00957	2.2
59.01250	42.7
60.01568	1.2
65.00197	6.5
67.01759	1.3
71.01249	4.1
71.04856	1.1
71.49867	1.6
72.01596	1.0
77.51555	1.3
77.99600	1.0
79.95599	1.1
81.17304	1.0
83.54291	1.0
85.02838	1.5
89.00193	1.9
89.02325	1.4
95.01244	1.2
96.95882	1.7
97.02834	8.5
101.02341	2.9
104.90084	1.0
105.32674	1.0
105.45689	1.0
107.01255	2.5
108.02050	4.8
109.02886	1.0
109.06478	2.8
111.00756	2.6
113.02315	3.5
120.63295	1.1
121.02831	3.7
124.01557	12.5
136.01581	8.0
139.03902	25.4
143.04933	2.6
145.16882	1.0
149.99445	2.0
150.03186	1.2
151.03912	4.7
152.01080	2.7
159.04391	2.3
160.05246	6.8
161.02361	12.0
163.00267	3.4
163.03873	1.1
165.01848	23.2
175.03944	10.4
175.07559	1.4
176.01018	2.9
176.04620	2.7
177.01967	2.2
178.02571	2.1
178.06250	2.2
178.99773	1.2
179.03363	2.9
183.03000	1.1
186.03171	1.1
189.01846	16.4
191.03392	2.9
191.07106	5.3
193.04964	4.0
193.08549	3.4
195.10135	2.9
199.02625	1.1
200.03708	1.2
203.03438	10.2
204.04214	35.6
205.01379	1.5
205.04745	2.3
207.06619	1.9
219.06575	100.0
220.03542	1.1
220.06857	5.7
235.06052	25.1
236.06354	1.7
237.07649	10.5
241.00092	2.6
242.99973	1.5
263.05600	44.2
264.05899	3.9
281.06662	20.0
287.16443	1.4
305.17151	1.6
314.51230	1.2
324.08865	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	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
67.82711	0.5
69.24370	6.1
71.01255	0.8
71.76759	0.5
83.47193	0.5
96.95874	0.7
98.20592	1.3
103.03890	1.4
118.95660	0.6
173.54797	0.6
245.19109	0.7
277.18100	1.1
289.18112	2.4
321.20685	53.9
322.21030	5.6
342.42166	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	321.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	20.8
66.88560	2.2
71.01240	4.2
71.04881	16.9
71.49745	3.8
73.12924	2.0
77.50882	2.2
80.56603	2.0
81.03332	4.7
83.04907	3.2
89.02333	3.2
95.04905	4.9
97.06466	3.9
97.10379	2.2
109.02814	3.8
109.06459	5.8
111.04398	41.7
111.08054	3.0
123.08080	2.8
125.05961	2.2
127.07564	5.1
137.05997	3.3
137.09567	2.5
146.44473	2.2
149.09622	9.5
151.07532	3.6
151.11186	3.6
159.11641	4.2
163.11197	16.0
177.12791	21.9
191.14336	21.4
193.12260	2.4
195.13904	3.6
205.12265	3.5
215.60977	2.3
233.15227	3.4
235.13419	4.3
241.00188	3.1
245.19128	22.5
249.15099	2.8
271.17001	4.8
289.18100	68.4
290.18347	7.2
303.19684	3.7
321.20712	100.0
322.20978	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02847	2.4
70.98277	0.2
70.98605	0.3
81.03345	0.6
81.49861	0.2
95.04912	0.8
97.06454	0.5
109.06487	0.5
128.10701	7.6
130.08632	100.0
131.08997	3.0
165.12776	0.9
170.54320	0.2
172.09731	0.7
172.82173	0.2
244.83961	0.2
322.20224	33.3
323.20502	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68084	0.7
57.87154	0.8
59.01249	100.0
60.01604	0.9
69.96365	1.6
69.96770	2.0
71.01259	4.3
80.96393	0.7
85.02858	1.4
87.00742	1.0
89.02318	5.3
96.95884	21.7
101.02312	3.1
113.02328	2.0
119.03402	1.7
132.43254	0.6
138.96954	0.9
161.04442	0.8
168.01814	0.7
179.05539	0.8
180.98166	0.9
228.20212	0.7
241.00206	38.9
242.00652	2.4
252.57063	0.7
306.76920	0.7
320.95969	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	321.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.9
59.01249	18.6
71.04890	100.0
71.50010	4.4
75.45410	2.3
77.21414	2.4
80.42429	2.4
81.03333	3.6
88.81949	2.4
89.02314	2.8
95.04896	2.7
109.06523	2.6
121.06440	3.8
127.15078	2.7
144.31525	2.5
151.11147	12.0
225.14957	3.3
233.15480	7.3
249.14931	9.0
265.18045	5.3
286.61298	2.5
288.44769	2.6
289.18094	5.7
290.18417	2.4
294.61658	2.9
306.18375	10.2
311.56552	3.4
321.17343	3.6
321.20676	62.3
322.20950	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01587	1.1
70.84213	1.4
71.01271	3.1
89.02326	4.1
96.95899	1.3
97.55393	0.5
101.02342	1.3
113.02357	1.4
119.03363	1.4
126.69353	0.5
152.09540	0.5
154.99265	0.5
155.31953	0.5
155.98186	0.5
210.66663	0.5
230.90553	0.5
241.00076	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01574	0.6
70.63775	0.9
70.64125	0.8
71.01258	1.4
73.02827	0.6
75.75220	0.4
85.02821	0.8
88.84972	0.5
89.02345	1.0
90.38235	0.4
96.95912	1.0
101.02324	1.7
101.43221	0.4
141.46761	0.4
161.04448	0.7
173.28340	0.4
174.83224	0.5
214.03528	0.5
241.00304	0.5
261.13354	1.4
280.60812	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60381	0.9
59.01252	100.0
60.01583	1.4
68.36387	0.8
71.01240	3.9
71.49422	0.9
78.36192	0.9
80.00567	0.8
85.02818	1.3
87.93922	0.8
89.02311	3.7
96.95896	3.2
101.02306	2.3
112.03991	1.1
113.02365	1.6
119.03400	1.0
119.54784	1.0
122.05992	2.8
124.03914	1.0
136.07579	7.4
140.07066	0.8
168.06601	1.4
184.06078	4.4
203.15462	0.9
229.74867	0.9
241.00211	3.8
285.17432	1.0
321.15384	0.9
330.32761	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	320.9592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.1
59.01243	2.2
64.36501	0.2
71.01243	0.8
71.49180	0.2
71.49589	0.2
73.02825	0.4
73.29171	0.2
77.24686	0.1
79.95588	1.9
79.96018	0.1
80.96387	0.9
83.01262	0.2
85.02811	0.5
89.02286	0.2
96.95886	43.8
97.95795	0.2
101.02290	1.1
111.29425	0.2
113.02309	0.4
121.51971	0.1
122.97469	0.3
125.83627	0.1
138.96968	1.2
150.96965	0.4
152.98572	0.6
157.84715	0.2
159.10207	0.4
180.98050	1.6
195.42256	0.2
207.17853	0.2
222.99152	0.5
241.00197	100.0
242.00488	3.7
307.75897	0.1
320.95898	10.1
321.15366	0.4
321.56900	0.2
321.96359	0.3
326.47665	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01265	3.1
71.49253	1.3
73.02818	0.8
85.02834	0.9
89.02310	3.9
96.95889	17.6
99.87514	0.7
101.02339	2.0
113.02337	1.8
119.03396	2.1
148.26219	1.0
182.34383	0.6
234.23930	0.6
241.00186	24.7
286.84711	0.7
291.08789	0.8
320.95993	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	320.9591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.2
56.45444	0.2
59.01239	1.4
69.79999	0.9
71.01255	0.7
73.01066	0.2
73.02805	0.4
79.95589	1.7
80.96380	1.1
85.02838	0.4
87.00762	0.4
96.95889	44.5
97.95853	0.3
101.02322	0.9
113.02321	0.3
122.97447	0.1
138.96973	1.3
152.98540	0.4
180.98056	1.4
191.11012	0.4
193.03271	0.2
222.99141	0.2
241.00211	100.0
242.00540	3.1
320.95917	11.5
321.96237	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	319.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.3
65.81160	0.9
70.51477	3.3
71.01232	3.9
84.04412	1.0
96.95872	1.8
98.20497	1.0
109.01568	1.7
110.02338	3.6
112.03929	12.3
116.04975	1.5
120.04417	2.2
120.99603	1.2
121.05240	5.3
122.06053	5.9
123.03149	17.4
124.03938	16.2
128.03499	1.1
134.06027	1.1
136.07584	52.2
137.05977	2.8
137.07899	1.8
138.05504	100.0
139.05832	2.8
140.07097	6.2
150.05498	2.3
154.96323	0.9
182.04512	10.4
183.05298	8.3
184.06084	23.6
203.08176	4.4
204.67090	1.1
215.04282	2.0
242.10646	1.0
257.12946	12.4
283.07297	1.6
301.11969	1.2
319.13007	8.2
319.21188	2.5
320.13498	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	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	6.0
58.26818	0.7
59.01243	1.5
61.97481	0.7
71.49234	0.9
71.49633	1.0
72.00774	6.1
91.05415	6.9
96.95863	1.0
106.28728	0.8
118.06504	2.7
123.04461	0.8
126.09138	1.7
129.10229	67.9
130.10547	1.2
135.04369	1.5
147.04424	24.6
148.04767	1.4
153.10242	5.1
154.08640	10.9
155.11819	1.4
164.07083	63.1
165.07391	2.8
171.11305	46.2
172.11613	1.4
183.11378	1.0
216.13844	0.8
217.05023	1.0
221.16800	0.7
228.06009	0.7
233.16551	38.1
234.16888	3.6
275.17630	6.6
277.15604	2.4
319.16608	100.0
320.16989	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	319.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05936	1.1
53.73157	1.0
59.01250	12.5
60.96148	1.0
70.64392	2.6
71.01231	7.0
84.04446	1.1
85.02855	1.1
89.02308	2.6
95.04902	1.5
96.95937	1.1
101.02308	4.0
111.08026	3.2
112.03925	13.3
113.02309	2.4
119.03285	1.0
120.04408	4.6
121.05217	5.6
122.06011	7.8
123.03147	19.3
124.03938	18.8
126.14443	1.0
131.29369	1.0
134.06050	1.5
136.07576	46.3
137.05957	3.0
137.07864	1.6
138.05498	100.0
139.05823	3.8
140.07089	6.0
150.05444	1.5
157.08614	12.1
161.02284	1.3
182.04474	11.2
183.05312	8.0
184.06067	28.3
214.12231	1.2
215.04294	2.1
233.12172	2.6
242.10481	1.9
257.12927	10.6
275.13916	1.0
280.81729	1.0
301.11856	1.3
301.31409	1.0
302.10794	1.0
319.07678	1.9
319.13702	18.5
319.21417	2.2
320.15231	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	317.1968
Annotation	(+)-Neomenthyl O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.23524	0.4
51.92066	0.4
57.03313	0.9
59.01240	1.3
69.03333	1.0
69.46181	3.2
73.83856	0.5
74.31492	0.4
83.04907	1.5
85.02812	1.0
85.06448	2.9
89.59219	0.4
95.04890	1.4
97.06479	5.6
99.08036	4.3
103.03792	0.4
109.06453	0.7
115.07536	3.9
117.08456	0.5
125.05933	0.4
127.11161	2.0
137.09636	0.8
139.07590	0.5
139.11176	4.2
143.07072	2.3
155.10652	3.5
165.09166	0.7
171.10178	0.5
181.08597	1.2
183.10197	20.3
184.10518	0.8
184.61389	0.4
195.97330	0.4
201.11261	17.4
202.11526	0.7
221.40504	0.5
281.17584	1.3
287.06625	0.8
297.82397	0.5
317.19678	100.0
318.20065	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	319.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63020	0.4
57.03321	13.6
57.50730	0.4
59.01264	2.0
64.67212	0.4
69.03321	0.8
71.01247	1.5
71.31850	0.7
76.31847	0.4
77.03838	0.6
79.01746	0.5
79.71503	0.4
81.03332	0.6
83.01254	2.3
89.02306	0.9
93.03347	2.5
95.01265	1.8
96.11286	0.4
96.95895	0.6
97.02827	3.1
101.02306	0.7
108.02038	0.8
109.02847	5.2
111.00788	0.5
115.73584	0.5
120.02039	1.4
121.02845	4.1
123.00757	0.8
123.04416	0.7
125.02338	100.0
126.02655	3.0
133.02882	2.0
135.04401	0.4
137.02339	10.5
138.03023	0.5
139.03944	1.0
141.01869	0.5
149.02351	1.0
153.01804	0.5
155.03365	0.8
159.04462	0.4
161.02353	22.8
162.02982	1.7
163.00305	1.6
164.01060	17.3
165.01845	38.2
166.02217	1.7
168.61507	0.5
173.06056	0.5
175.03964	1.4
177.01834	2.8
184.16023	0.4
195.02953	0.4
196.03778	0.7
197.04495	21.4
198.04776	0.6
201.05481	1.3
203.03426	1.2
225.05292	0.6
243.06601	1.4
245.04591	0.8
251.84917	0.5
269.04684	1.0
275.09302	0.6
287.05624	6.5
319.04669	0.7
319.08240	3.8
319.14038	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	317.1967
Annotation	oscr#16
Peak:m/z	Relative Intensity
52.21920	0.5
57.03315	1.3
59.01248	100.0
60.01587	1.2
65.03837	0.6
69.03339	0.7
70.90029	1.1
71.04892	2.9
76.70831	0.5
80.97507	0.5
81.03326	1.3
83.04890	5.9
84.69447	0.5
85.02817	2.2
94.24163	0.5
95.04900	3.0
96.95961	0.5
99.00756	0.8
99.08018	4.5
101.05965	8.9
102.85743	0.5
109.06482	9.7
110.06816	0.5
111.75750	0.5
113.06003	0.9
115.75489	0.5
117.89141	0.5
121.06474	0.9
122.55927	0.5
125.09663	0.5
129.09117	1.4
137.09619	6.1
139.07555	5.1
141.64465	0.5
155.10687	3.1
165.12715	0.6
172.06761	0.5
183.13797	0.8
191.62898	0.5
197.11766	0.5
199.13350	0.8
204.69231	0.6
207.10162	0.8
225.11246	1.8
235.40688	0.6
243.12346	1.4
257.17807	1.1
282.03491	0.5
299.18668	5.1
317.19653	66.1
318.20023	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	315.1811
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
57.03328	1.9
59.01256	4.3
69.03344	1.1
71.01254	2.0
74.02391	0.7
81.03331	1.0
83.04897	6.0
85.02809	4.9
87.68188	0.7
95.04906	5.0
97.02837	0.9
97.06461	7.3
98.19777	2.3
99.08031	3.5
109.06454	1.4
110.03583	1.0
113.05950	1.4
121.06451	1.4
123.04388	1.5
123.08089	1.1
125.05924	1.1
127.11173	1.8
135.04456	1.1
135.08037	1.8
137.09587	2.2
139.07523	1.3
139.11192	3.6
143.07033	8.9
145.02843	0.8
147.08046	0.8
149.09631	4.8
155.10667	3.7
157.08600	1.6
165.09087	1.7
169.08699	1.1
181.08604	3.8
183.10181	13.3
193.08640	3.3
201.11252	13.9
205.71097	0.7
211.09686	3.0
217.15894	1.1
249.14830	0.9
251.23930	0.8
261.14667	1.1
279.16046	2.0
293.10950	0.8
297.17136	2.3
315.18115	100.0
316.18469	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	315.1813
Annotation	CHEBI:67324
Peak:m/z	Relative Intensity
57.03325	2.1
59.01249	100.0
60.01584	1.3
62.64445	0.5
66.59045	0.4
69.03329	0.7
70.00494	1.6
71.01255	2.3
71.04890	2.5
73.02816	0.8
76.99245	0.4
78.73780	0.4
81.03329	1.1
83.04891	5.6
84.02039	0.6
85.02819	2.1
93.03337	0.8
95.04881	2.6
96.95913	0.4
97.02855	0.7
97.06465	5.5
99.04427	0.4
101.05959	6.6
107.04899	0.4
107.35011	0.4
109.02822	0.4
109.06467	7.9
111.04430	2.2
111.08018	0.9
113.06003	1.0
119.04918	0.4
121.06473	0.6
123.04401	1.3
125.09598	1.0
135.04424	0.7
135.08084	0.4
137.09627	4.3
139.07549	4.0
144.05623	0.4
148.12762	0.4
153.05444	0.6
155.10672	1.6
163.11238	1.9
165.09106	1.6
181.12279	0.5
209.11783	0.5
219.13913	0.6
279.15887	0.5
297.17035	4.8
315.18106	58.6
316.18500	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	315.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	3.0
59.01245	100.0
70.35792	9.1
71.01250	49.8
72.99159	3.7
83.01254	6.2
85.02816	12.0
87.00801	3.8
89.02312	41.3
95.01263	4.0
96.17984	3.0
101.02317	28.9
113.02330	14.5
119.03387	22.3
123.04391	10.2
135.03426	6.2
135.04420	86.2
153.05487	11.7
238.72473	3.2
288.81052	3.0
315.10837	82.8
315.16101	6.0
316.11078	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	315.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	5.5
56.71580	1.4
57.03316	5.3
58.00462	1.9
59.01249	51.9
63.64632	1.4
63.91940	1.6
70.34470	1.5
71.01253	100.0
71.04876	4.0
72.99155	2.9
73.02816	21.0
83.01256	9.7
84.15359	1.5
84.82979	1.5
85.02823	40.4
87.00747	5.2
89.02322	20.5
89.34499	1.5
95.01270	6.6
96.95923	1.8
97.02804	1.9
99.00782	10.2
101.02320	47.0
102.02611	1.9
111.13170	1.5
113.02327	34.4
119.03378	7.7
123.04380	3.4
129.01813	1.8
143.03366	2.7
145.02837	2.1
150.05450	1.6
153.05478	6.4
159.02921	8.0
161.04480	14.8
165.01772	1.6
177.16228	1.7
209.05534	1.4
300.02615	2.1
315.04871	3.7
315.15793	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	315.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12622	0.8
55.01761	6.0
57.03328	4.8
58.00457	2.5
59.01252	53.0
69.03321	1.8
71.01253	100.0
72.01586	1.5
72.99169	3.2
73.02822	24.3
74.58272	0.8
75.00721	1.2
83.01266	10.6
85.02825	42.2
87.00757	4.0
89.02321	23.5
95.01266	6.6
96.95900	1.5
97.02818	1.9
99.00756	14.8
99.38031	0.9
101.02322	56.1
104.34750	0.9
113.02330	37.6
117.97215	1.0
119.03399	9.0
123.04407	1.9
125.02378	2.2
131.03394	1.1
133.72652	0.9
143.03398	1.3
153.05464	2.8
159.02890	6.1
161.04469	17.1
165.01709	1.0
205.03531	1.1
232.76714	0.9
247.20044	0.9
292.75714	1.1
315.05170	2.0
315.08777	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	315.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19539	0.7
50.58392	0.7
59.01245	0.9
66.14192	0.7
67.57894	0.7
71.01245	2.7
71.38181	1.3
72.97115	0.7
80.76517	0.6
81.03347	1.2
85.02813	3.1
95.01252	2.7
101.02298	1.8
108.02049	95.5
109.02843	24.4
113.02331	1.4
121.02847	1.4
123.00756	2.1
123.04436	1.7
124.80254	0.7
125.20570	0.7
125.80167	0.7
126.59734	0.6
130.00916	0.7
133.02814	1.5
151.03867	1.9
152.01057	61.6
152.29774	0.7
153.01845	29.4
153.05400	1.6
154.02104	0.9
158.15121	0.8
162.35013	0.7
163.03865	2.5
165.01843	2.7
191.27295	0.7
210.05617	0.8
217.90981	0.6
270.43222	0.8
315.07208	100.0
316.07629	6.2
329.07150	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	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44553	0.8
59.01252	9.4
70.35980	1.8
71.01254	5.1
73.36453	0.9
85.97700	0.8
89.02309	3.8
101.02310	2.8
113.02331	1.1
119.03326	1.3
122.03636	1.5
123.04404	100.0
124.04716	4.1
124.30295	0.8
133.52301	0.9
135.04413	7.0
153.05481	96.7
154.05780	4.1
190.14398	0.8
271.63675	0.9
296.56851	0.9
315.10785	5.7
315.16025	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.14649	0.8
59.01255	4.3
60.88063	0.7
69.94255	4.2
71.01243	4.9
73.02832	0.9
78.95768	0.9
81.03334	1.9
85.02810	2.1
89.02306	1.4
95.01254	1.3
96.95901	1.0
96.96803	1.4
101.02317	2.5
108.02052	100.0
109.02856	42.1
110.03116	1.1
113.02334	2.2
121.02825	0.8
123.00764	1.6
123.04414	18.1
135.04401	3.4
151.03908	1.5
152.01056	76.7
153.01842	44.6
153.05470	21.1
154.02148	0.8
159.89240	1.9
163.03915	1.3
165.01825	1.7
195.03018	0.8
202.89224	0.7
225.04150	0.8
311.52536	0.9
315.07220	92.6
316.07574	6.3
316.80179	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.77754	1.0
63.19908	1.1
66.39050	1.0
71.01242	2.8
71.48029	2.0
71.48401	1.2
75.36767	1.0
78.29013	1.2
85.02820	3.5
95.01263	2.1
101.02307	1.7
108.02049	96.3
109.02871	23.9
113.02306	1.5
123.00765	1.4
123.04380	3.0
145.13586	1.3
151.03937	1.6
152.01053	72.7
153.01845	27.7
153.05405	1.4
163.03940	1.6
165.01865	2.2
172.40918	1.4
195.91882	1.2
199.78555	1.3
315.07205	100.0
316.07523	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	315.051
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
58.43113	0.8
60.90633	0.6
61.88908	0.8
63.02271	8.4
64.92977	0.7
65.00180	3.2
70.81242	1.8
83.01255	7.5
95.01278	1.2
107.01264	14.6
108.02027	3.1
124.01557	2.7
135.00714	0.8
136.01558	1.8
148.01569	5.9
149.99469	2.4
151.00269	22.7
163.00288	3.3
164.01065	7.8
169.01315	1.8
192.00703	0.7
215.03418	0.8
216.04166	1.6
227.03445	3.9
243.02963	3.6
244.03624	1.0
244.35719	0.7
253.54140	0.8
255.02939	4.3
268.65085	0.8
271.02429	8.8
272.03046	2.3
283.02502	4.2
299.01895	1.8
300.02722	96.9
301.03079	8.4
315.05084	100.0
316.05399	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
56.36084	0.5
58.00464	2.9
59.01250	2.6
64.97305	0.5
68.56082	0.5
69.44651	2.9
69.45070	1.4
71.01266	0.8
72.67351	0.5
77.33289	0.5
79.95604	0.6
82.27294	0.5
96.95910	1.0
97.06471	1.2
99.08033	18.9
119.04541	0.5
121.02859	0.8
127.07574	2.6
129.09106	22.2
133.06494	0.7
138.03105	0.7
153.05408	1.3
158.42076	0.7
183.13828	39.9
184.14159	2.1
195.13811	3.7
253.21581	0.5
271.07678	0.8
277.21744	3.7
295.22748	9.7
313.23834	100.0
314.24185	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	314.1036
Annotation	Normelicopicine
Peak:m/z	Relative Intensity
51.03434	0.2
58.02850	0.3
59.01239	0.3
70.80083	0.4
76.42882	0.2
79.02814	0.2
85.71675	0.2
91.05399	1.2
93.03333	0.8
95.04896	0.6
107.04913	3.4
109.02830	0.6
117.03350	0.9
121.02835	1.6
122.03622	8.0
123.04418	7.7
124.01539	0.6
124.04731	0.4
133.02858	6.5
134.03650	2.1
135.04413	100.0
136.01549	0.2
136.03900	0.7
136.04749	3.7
137.02336	1.1
147.04492	0.4
148.04057	0.5
148.05176	2.3
149.04636	0.3
150.05493	2.7
152.07077	50.8
153.07416	2.2
154.02655	0.9
160.03922	0.9
161.02351	35.2
162.02734	1.6
177.04099	0.3
178.05011	13.0
179.05389	0.9
180.06609	2.6
190.05025	1.6
192.06616	1.3
204.06534	0.3
235.22159	0.2
237.77087	0.3
303.09375	0.3
310.25751	0.2
314.10330	92.8
315.10663	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	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01254	9.3
60.94286	1.7
61.98697	2.4
62.10883	1.4
62.29499	1.3
64.21064	1.7
65.00192	3.6
71.01232	4.8
71.50765	2.8
75.00744	1.7
79.95608	1.9
89.02338	4.6
93.03326	19.1
95.01279	2.1
96.95892	5.1
97.02829	3.5
98.53609	1.9
101.02333	3.8
117.03294	1.7
121.02843	38.5
122.03159	2.6
124.01497	2.1
137.02365	2.5
137.06004	2.5
138.03186	2.2
139.03935	4.1
141.20972	1.7
145.02818	1.7
145.04811	1.6
148.01564	5.9
149.99512	2.5
151.05966	1.9
157.08661	4.0
165.01825	15.0
169.12250	3.7
176.01076	36.1
177.01425	2.1
178.47122	1.8
179.03389	5.0
191.03407	43.2
192.03838	2.2
224.85199	1.6
229.84422	1.6
253.09160	4.7
270.06900	3.9
283.02625	1.6
283.06055	5.6
295.06094	2.0
295.22803	15.3
313.07080	5.9
313.10852	19.7
313.23831	100.0
314.10919	2.8
314.24103	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	313.2382
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.96831	0.3
59.01242	0.9
60.44099	0.3
62.44026	0.3
65.16864	0.3
71.01239	0.9
71.04866	0.3
71.45154	0.6
79.95599	0.8
80.89075	0.3
96.95887	1.4
97.06404	0.3
121.02813	0.4
125.09595	0.8
127.11181	1.3
133.06509	0.4
138.03096	0.5
139.11198	0.9
153.05487	1.8
155.10681	3.1
159.97501	0.8
169.12234	0.4
171.10158	5.3
255.02881	0.3
267.23312	0.6
270.06705	1.0
271.07507	0.6
277.21622	0.7
283.02539	0.5
295.22769	7.7
296.22964	0.6
311.22318	1.1
313.23828	100.0
314.24164	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.108
Annotation	CHEBI:70655
Peak:m/z	Relative Intensity
51.29648	0.2
54.95634	0.2
55.65841	0.2
59.01263	0.3
65.03835	0.2
71.01248	0.8
71.45084	0.3
76.26535	0.2
78.10886	0.2
80.02637	0.2
93.03338	0.2
95.01247	3.1
96.95882	0.6
101.02276	0.2
101.97085	0.3
108.02035	2.3
109.02828	3.5
115.05422	0.4
117.03312	0.4
121.02847	0.8
123.00767	2.5
124.01538	0.2
131.04887	0.5
133.06479	52.1
134.06807	2.2
137.02332	1.6
138.03117	48.2
139.03458	1.7
149.02339	7.5
150.02689	0.3
153.05469	100.0
154.05804	3.9
163.03841	0.4
177.01851	5.7
191.03403	3.1
192.04184	6.7
192.05954	0.4
193.04488	0.3
195.14870	0.2
207.06554	20.9
208.06870	1.0
224.03201	9.3
225.03618	0.5
239.07210	0.2
270.06628	0.3
281.07944	0.2
283.06180	0.3
313.10812	6.6
313.23865	0.7
314.11185	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	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.1
63.59885	1.1
71.01247	1.1
71.50610	1.0
89.02329	1.8
90.01479	0.8
92.21096	0.8
101.02332	1.3
106.03883	0.8
113.41724	0.8
138.03098	1.4
145.02805	0.9
153.05449	2.6
225.22118	1.2
237.39827	0.9
253.21750	4.8
271.22791	41.5
272.23108	3.7
298.04709	1.2
313.07416	1.1
313.11133	2.0
313.16901	1.0
313.23807	14.6
314.24112	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	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.3
61.98680	1.3
65.00198	5.2
68.39693	1.1
70.76295	2.1
71.01249	3.5
89.02327	2.5
93.03336	36.5
93.93970	1.1
94.03671	1.6
96.95882	3.3
97.02808	4.1
101.02313	1.6
113.02360	1.5
113.09619	1.4
119.03386	1.6
121.02845	74.8
122.03152	2.3
124.01563	2.2
135.17294	1.1
139.03902	5.3
139.07655	0.9
139.11119	1.2
145.02841	1.5
148.01576	12.3
149.99518	2.3
151.06001	1.2
161.02370	1.5
165.01842	28.1
166.02257	1.2
169.12299	5.7
176.01070	76.9
177.01511	2.2
191.03427	100.0
192.03693	4.1
193.05046	3.1
219.02899	2.0
253.09149	1.5
270.06808	4.0
272.53485	1.1
280.03992	1.6
283.02557	1.9
295.06094	2.9
295.22791	11.5
296.23206	1.2
298.04898	1.7
312.22485	1.5
313.07150	8.9
313.11310	3.5
313.14716	2.2
313.23837	90.0
313.85950	1.4
314.24066	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	313.0932
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
59.01247	0.6
71.48695	0.4
88.03919	0.8
89.02321	0.3
108.02093	0.4
109.02836	3.2
123.00793	0.4
123.04398	0.3
124.01553	0.7
150.03145	0.9
151.03915	100.0
152.04240	3.4
161.13672	0.2
182.57056	0.3
269.13043	0.3
290.03934	0.3
313.09265	6.5
313.12634	0.4
314.09729	0.3
314.20804	0.4
323.84000	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	312.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.6
70.84225	0.5
70.84587	0.9
72.56737	0.4
78.95736	0.4
88.44187	0.4
96.49614	0.4
96.95879	0.7
106.04049	0.4
107.04918	0.4
108.04453	0.4
109.02844	0.5
117.03355	0.6
119.04926	1.3
124.01539	0.5
133.02899	0.8
133.05229	2.6
134.03629	4.5
135.04416	22.6
136.03851	0.8
136.04822	0.7
136.07600	0.4
137.02255	0.7
139.03914	0.4
145.02878	1.1
147.04419	5.5
148.05202	74.4
149.05653	3.0
150.03175	0.5
160.04002	0.8
161.02333	1.1
162.03183	0.6
166.08501	0.6
175.03899	0.7
176.03473	5.5
177.04272	2.0
178.05016	40.9
179.05354	1.9
190.05026	18.4
191.05563	1.0
239.07019	0.6
241.00172	0.6
253.08705	1.6
296.09030	0.5
297.10065	12.8
298.10501	0.9
312.12402	100.0
313.12723	9.4
313.16315	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	313.0722
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01249	1.0
65.00206	0.2
71.01247	0.5
71.34549	0.1
71.49617	0.2
77.03869	0.3
79.95608	1.4
87.00764	0.7
89.02324	0.3
93.03342	0.4
95.95084	0.2
96.95883	2.4
101.02279	0.3
103.00240	0.2
108.02058	0.3
109.02838	0.3
110.00054	0.2
113.02347	0.2
119.03345	0.2
121.02842	100.0
122.03177	3.0
125.02366	0.2
133.06506	1.8
135.82504	0.1
138.03137	1.7
139.11221	0.2
140.39847	0.2
143.03351	0.2
145.02856	0.3
147.04347	0.2
149.02370	0.3
153.01834	0.5
153.05478	3.6
154.05791	0.2
159.97473	1.0
161.04514	0.1
165.01894	0.3
176.01106	0.2
177.01799	0.3
180.05711	0.9
181.06509	5.0
182.06931	0.2
191.03366	0.2
192.04155	0.2
207.06561	0.7
220.32326	0.2
224.03271	0.4
225.05522	6.8
226.05836	0.3
230.98172	0.2
232.02869	0.2
241.00212	0.5
253.09084	0.2
255.02895	0.2
269.08289	0.3
270.06738	3.2
270.56924	0.5
271.06802	0.2
283.02469	0.4
294.21317	0.2
312.22409	0.2
313.07193	15.2
313.10590	0.6
313.23734	1.5
314.07550	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	312.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18895	0.3
57.14661	0.2
58.77596	0.2
64.84165	0.2
68.62077	0.3
69.56173	1.5
71.74440	0.2
99.10915	0.2
107.04935	0.7
108.02087	0.3
108.33565	0.3
109.02857	0.4
116.65264	0.3
117.03432	0.3
119.04915	2.3
121.02837	0.4
124.01596	0.4
132.05714	0.8
133.02875	1.2
133.05234	2.5
134.03629	5.1
135.04414	26.6
136.03947	1.3
136.04837	0.6
136.07552	0.6
137.02321	0.7
145.02826	0.5
147.04427	8.2
147.05608	0.5
148.05200	87.0
149.05551	3.7
150.02043	0.3
150.03154	1.0
160.01611	0.3
160.03935	0.7
161.02365	1.5
162.03117	0.5
162.05539	1.2
174.05475	0.5
175.02621	0.4
175.03981	0.7
176.03448	5.7
177.04251	2.1
178.05014	41.6
179.05341	1.8
190.05023	23.7
191.05399	1.2
192.06566	0.5
239.07188	0.4
246.75084	0.3
253.08620	1.9
254.09172	0.3
270.11295	0.5
282.24634	0.3
296.09366	0.6
297.10049	21.0
298.10376	1.4
301.03806	0.3
308.26672	0.2
312.12399	100.0
313.12720	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	312.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.6
69.14478	0.3
71.50011	0.5
92.28748	0.4
96.63482	0.3
96.95895	0.9
107.04922	0.6
109.02786	0.5
111.00764	0.3
117.03439	0.3
119.04926	1.3
120.04473	0.3
121.02856	0.7
124.01533	0.5
132.05746	0.4
133.02806	0.9
133.05228	3.0
134.03629	5.7
135.04411	30.8
136.03922	1.3
136.04776	1.4
136.07568	1.1
137.02344	1.0
145.02869	0.5
147.04424	7.3
148.05200	90.8
149.05510	3.6
149.64360	0.3
150.01962	0.5
150.03128	1.2
150.05530	0.4
151.03909	0.3
160.01575	0.3
160.03975	1.0
161.02309	1.1
162.03139	0.8
162.05499	0.9
163.03940	0.4
164.99992	0.4
175.02560	0.4
175.03899	0.5
176.03426	6.1
177.04254	2.9
178.05017	46.9
179.05386	1.5
181.03186	0.5
190.05022	25.2
191.05386	0.9
192.06516	0.3
206.04550	0.5
236.66582	0.4
253.08673	2.2
270.11691	0.5
296.09183	0.8
297.10037	15.4
298.10349	1.1
312.12390	100.0
313.12708	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01240	6.2
61.98701	0.7
69.15931	6.2
69.16342	2.1
71.01245	0.7
113.02289	0.7
115.07516	1.5
127.07552	1.2
146.19296	0.6
159.43008	0.7
167.14310	2.4
168.25389	0.7
171.10201	2.8
172.10406	1.0
173.10817	1.2
183.13852	1.7
185.11768	0.8
195.13814	10.0
196.14197	0.8
200.73633	0.8
211.13358	1.4
238.16061	0.8
268.67722	0.7
275.20062	1.5
293.20871	10.0
303.20743	0.7
311.22263	100.0
311.29782	2.8
312.12604	1.1
312.22552	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03319	1.2
59.01243	5.8
66.86819	0.8
70.02059	0.9
71.50315	1.2
78.96235	0.8
83.41407	0.9
88.45095	0.9
89.05785	0.9
171.10182	1.2
183.01115	14.4
197.02695	9.6
216.00966	0.9
239.07262	1.5
247.20694	0.9
249.22209	44.1
250.22481	4.4
267.23233	2.0
281.04474	0.9
293.21213	22.8
294.21506	2.5
311.02179	0.9
311.16809	43.0
311.22253	100.0
312.17191	4.6
312.22568	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	312.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85312	0.4
59.01244	2.0
69.73579	0.6
69.73998	2.0
79.95607	0.6
87.00763	0.5
89.02320	0.5
90.98224	0.4
96.95893	0.9
107.04862	0.5
109.02818	1.2
113.25358	0.5
114.27525	0.4
119.04930	1.1
119.79794	0.4
121.02805	0.8
122.06007	1.1
124.01556	0.7
133.02858	1.6
133.05235	2.4
134.03633	4.2
135.04413	27.0
135.24402	0.4
136.03859	0.8
136.04742	1.3
136.07558	0.6
137.02316	0.8
141.61189	0.4
147.04417	6.3
148.05197	82.1
149.05569	3.2
150.01923	0.4
150.03127	1.0
160.03976	0.9
161.02350	1.7
162.03120	0.5
162.05505	0.8
163.02730	0.6
163.03944	0.5
164.66373	0.4
166.30656	0.4
176.03438	5.7
177.04250	2.5
178.05014	40.5
179.05360	1.9
190.05013	22.4
191.05470	1.1
227.07162	0.5
253.08667	2.2
263.70947	0.5
269.13037	1.7
296.09283	0.7
297.10074	15.3
298.10425	1.3
312.12393	100.0
313.12750	9.4
316.86981	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.4
59.01232	1.4
60.85014	1.4
67.26871	1.3
70.52200	4.6
82.62083	1.5
98.20521	1.7
108.26811	1.3
121.10041	1.3
125.09620	3.9
127.11198	4.8
129.09111	1.8
138.15910	1.6
139.11174	11.6
144.74361	1.2
147.10568	1.2
153.09114	1.8
154.66141	1.4
155.10660	2.8
171.10184	61.1
172.10559	2.9
183.10165	3.3
185.11769	7.7
192.79123	1.4
197.11786	4.1
201.11293	13.0
211.13313	5.6
228.32510	1.4
243.06845	1.4
255.57474	1.3
275.20248	3.7
293.21234	17.1
294.21448	1.7
311.22281	100.0
312.22540	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03299	0.4
70.26701	1.1
97.06479	0.5
99.08070	0.6
99.33784	0.4
110.39983	0.3
112.62767	0.4
113.09624	0.7
115.07522	1.2
127.07526	1.0
128.08284	0.8
167.14334	3.7
182.63066	0.5
183.13809	2.1
195.13847	10.6
196.14229	0.4
211.13339	0.8
213.14922	1.5
228.06256	0.4
236.42247	0.4
242.15189	1.0
243.35321	0.4
249.22018	0.4
265.21664	0.7
267.23309	0.4
275.20258	0.6
283.22949	0.6
293.21213	8.0
294.21487	0.5
311.22275	100.0
312.22638	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.83383	0.4
57.57836	0.3
59.01242	2.1
69.18376	1.9
69.18806	1.9
83.04916	0.4
101.02292	0.4
111.08020	1.2
113.09628	0.5
125.09528	0.6
127.11176	1.0
129.09116	1.3
141.09109	0.4
153.12776	3.8
163.11148	0.5
167.10709	0.4
169.12244	2.3
171.10162	1.0
181.12248	9.4
183.01147	0.7
197.02701	0.6
197.11700	0.9
199.13347	1.4
215.87660	0.4
227.12625	0.4
228.13689	0.9
249.22205	0.6
265.21790	1.1
267.23386	0.9
275.20218	0.6
293.21222	7.4
294.21552	0.8
311.22263	100.0
312.16748	0.4
312.22617	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01192	1.0
69.78148	1.3
69.78565	2.3
71.04848	0.7
97.06350	0.6
113.09477	0.5
124.60023	0.5
125.09518	2.0
127.11105	1.2
139.11169	3.2
141.12691	0.8
163.11174	4.2
165.12770	1.0
167.10670	1.3
167.14270	1.1
168.11346	1.7
171.10175	10.0
182.12967	1.9
183.10049	0.6
185.11723	0.9
201.11191	2.0
211.13159	1.5
249.22182	5.2
275.20102	1.6
293.17676	1.0
293.21216	92.7
294.21509	8.8
311.22250	100.0
312.22681	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.1
59.01246	1.1
61.39276	1.1
70.92704	1.4
82.56678	1.0
86.29919	1.0
95.87203	1.0
97.14954	1.0
99.08004	0.9
109.60257	0.9
121.10112	3.2
123.08099	1.2
125.09621	3.8
127.11187	5.5
137.09673	1.4
139.10149	1.3
139.11191	17.5
151.11174	1.9
153.09137	1.5
155.10678	3.3
165.09114	1.9
167.10808	1.8
171.10176	82.5
172.10495	3.5
183.10222	9.1
185.11765	20.9
186.12122	1.2
201.11261	13.0
201.24406	1.0
230.91672	1.0
242.37013	0.9
275.20139	7.1
293.21237	28.0
294.21704	1.6
306.58029	1.0
311.22269	100.0
312.22665	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.83056	0.5
57.75606	0.6
59.01247	1.3
59.58013	0.4
70.70891	1.4
70.71246	0.6
73.03154	0.5
97.06437	0.7
109.44041	0.5
123.08044	0.7
125.09614	4.5
139.11183	2.0
141.09114	2.5
141.12750	1.2
143.10681	0.5
153.09131	1.0
155.14323	2.2
157.12225	0.8
163.34187	0.5
167.10622	0.7
171.10136	2.6
181.15880	0.6
183.13812	0.8
185.11671	0.8
187.09685	0.6
199.09526	0.8
200.10460	2.8
201.11237	0.5
232.79965	0.5
239.23689	0.8
242.35516	0.6
247.20653	0.9
249.22212	2.3
265.21783	1.1
267.23300	1.7
275.19992	1.7
283.15405	0.5
293.21222	8.9
311.22269	100.0
312.22598	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2018
Annotation	Longithorone K
Peak:m/z	Relative Intensity
51.91488	0.1
53.09347	0.2
59.01246	0.7
71.49769	0.2
76.39455	0.1
79.95634	0.2
97.19038	0.1
97.99608	0.1
100.23209	0.1
119.04900	0.2
133.06479	2.6
133.55969	0.1
134.06828	0.2
149.09630	100.0
150.09976	5.0
170.00368	0.2
179.97552	0.1
183.01137	10.2
184.01729	0.9
197.02768	0.3
216.00917	0.6
224.56810	0.1
232.71028	0.2
239.07466	0.3
254.81972	0.2
269.89969	0.2
295.17340	0.2
311.16879	15.6
311.20215	50.1
312.17163	1.6
312.20563	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.8
57.25710	0.6
59.01239	2.2
60.35134	0.7
70.55475	1.8
71.04886	1.0
97.06454	1.0
119.77282	0.6
125.09647	1.0
129.09050	0.7
136.08795	0.8
139.11169	1.4
143.87564	0.6
151.11136	1.2
154.09883	1.0
167.14302	0.9
171.10150	1.7
177.12863	3.3
178.13495	0.6
181.12358	0.9
195.13821	2.9
196.14615	0.7
197.11734	1.0
211.13338	2.4
249.22218	3.0
262.08603	0.6
265.21689	0.8
271.09128	0.7
275.19980	0.9
284.62677	0.6
293.21219	71.6
294.21637	5.3
311.22269	100.0
312.22659	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
57.03318	0.6
59.01251	100.0
60.01608	0.8
66.64041	0.4
69.56686	0.9
69.57084	2.9
71.01253	6.3
72.95985	0.4
73.02819	2.8
73.35041	0.4
74.28934	0.4
78.04760	0.4
78.95802	1.4
83.01270	1.3
85.02839	2.6
89.02320	0.8
92.97751	0.4
98.87288	0.4
99.00783	1.3
101.02325	4.7
111.04169	0.4
113.02334	2.5
132.45418	0.4
159.02948	0.7
161.04477	3.3
269.10355	4.5
304.22250	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	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01238	2.7
61.98666	0.7
71.01231	0.5
71.04855	0.8
71.45715	1.1
92.37491	0.5
108.39690	0.5
110.68963	0.4
111.08065	0.9
121.02842	0.9
122.03656	1.0
136.05142	0.5
139.71378	0.6
140.45509	0.4
149.56587	0.5
153.12724	0.7
157.08569	1.7
167.14267	2.9
193.36153	0.5
195.13846	1.0
207.17456	0.8
223.20682	1.5
249.18591	5.1
251.11400	0.6
267.19635	100.0
268.19952	9.4
271.23715	0.5
275.16516	7.2
276.16843	0.8
293.17575	34.9
293.21124	8.7
294.17868	4.3
294.21140	0.9
311.18604	31.1
311.22244	25.5
311.29739	0.6
312.18961	2.8
312.22513	1.9
318.46942	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	309.2072
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03321	3.5
58.89151	1.4
59.01252	10.6
59.50830	1.5
63.46176	1.5
71.01212	2.7
71.04878	1.5
71.49858	2.4
79.21529	1.5
80.02523	2.5
81.03317	2.6
83.01270	7.9
83.04872	5.9
85.02781	1.5
90.77213	1.5
95.04867	2.7
96.95884	1.7
97.06426	5.1
99.07998	1.7
101.02297	2.5
111.07961	2.8
115.59441	1.5
123.04362	4.9
123.08010	5.4
125.05896	1.9
125.09607	11.7
133.37703	1.6
134.03516	1.7
137.09520	4.5
139.11186	9.2
149.09488	1.6
151.03886	3.9
151.07547	11.0
151.11118	2.9
152.08220	6.5
155.10658	2.4
163.11151	8.5
165.12776	16.3
167.10579	6.9
171.10231	11.9
175.07379	1.7
181.12134	6.2
183.13750	2.4
185.11749	7.5
191.10617	3.3
193.15790	4.7
197.11627	2.6
206.54283	1.9
209.11774	56.0
209.15302	10.8
211.13217	2.5
247.20650	13.2
252.09825	2.0
265.17822	2.7
265.21576	3.9
273.18405	6.4
281.21033	3.1
291.19659	100.0
292.20001	12.0
309.03778	2.0
309.11826	3.0
309.14871	7.3
309.16867	15.8
309.20468	51.3
310.20767	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.00414	4.5
59.01248	27.6
59.30204	4.0
61.98689	4.2
69.03313	5.0
70.30664	4.0
71.01244	7.2
77.49123	4.2
80.96418	5.1
83.04911	13.7
83.80853	4.0
84.02044	6.0
90.74340	3.8
96.95865	5.3
97.06494	4.5
99.00783	5.0
118.35997	4.2
127.11147	7.0
132.98587	4.7
137.09615	33.0
151.03909	11.5
151.07510	23.3
151.11250	4.8
152.08357	22.9
153.09055	4.3
155.10690	26.1
165.12781	6.0
171.10194	41.3
174.21516	4.5
193.12302	18.2
197.11661	5.5
200.40991	4.2
202.41872	4.0
209.15393	36.2
211.13361	5.7
223.04172	4.9
247.20723	6.7
252.09944	6.5
265.18167	6.2
291.16388	5.5
291.19659	78.9
295.20816	5.3
309.04187	9.6
309.15192	48.5
309.17160	39.6
309.20712	100.0
310.21091	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	309.2071
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
54.43575	0.4
57.03318	0.6
57.22012	0.5
59.01240	2.5
69.03311	0.7
69.92208	0.5
70.97493	1.1
71.01245	1.5
73.02792	0.6
80.35870	0.5
83.04896	0.7
87.44787	0.5
93.06985	0.6
97.06438	0.6
99.92449	0.5
109.06464	1.6
111.08027	2.3
111.60536	0.6
123.08029	0.8
125.09623	2.4
127.07516	0.6
127.11156	1.9
137.09605	1.1
141.09094	1.1
141.12750	0.5
151.03893	1.3
151.07529	1.6
151.11151	1.0
152.08286	1.7
153.09100	1.1
153.12758	3.6
155.10654	1.8
165.12752	1.0
167.10664	1.9
169.12231	1.4
171.10164	1.4
173.34019	0.6
179.14336	1.9
181.12286	4.1
185.11650	0.5
193.15865	1.3
197.11801	2.8
199.09714	1.4
199.13318	1.8
200.10455	1.4
201.11261	1.1
207.13828	1.6
208.92900	0.6
209.15437	3.0
213.11206	0.7
215.12917	1.3
226.12132	0.7
227.12865	1.8
228.13399	0.5
247.20654	5.5
263.20358	0.9
265.21689	1.5
273.18637	2.5
281.21109	1.5
291.19662	34.3
292.20013	3.5
293.61661	0.6
309.17377	4.6
309.20685	100.0
310.17581	1.1
310.20999	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88480	1.1
56.49026	1.0
58.00455	1.9
59.01271	1.5
59.02849	1.1
71.21194	3.2
86.06199	1.2
89.04781	1.0
109.06480	1.5
111.08035	37.6
111.08806	2.0
122.63764	1.3
127.07564	1.5
137.09676	1.6
150.81551	1.3
151.07506	1.7
151.11211	1.3
152.08350	2.2
153.12892	1.2
169.12224	6.4
171.10120	3.6
181.12166	1.9
183.13998	1.5
185.11586	1.4
197.11766	100.0
198.12129	6.6
199.13297	4.4
209.15408	7.1
211.13370	9.5
223.17090	2.2
225.14970	2.0
227.12767	3.1
243.66666	1.2
251.16405	3.5
263.20145	6.0
265.17975	2.4
270.87772	1.3
273.18472	2.0
291.19656	25.6
292.20004	2.3
309.17123	4.7
309.20667	45.9
309.24304	2.7
310.21075	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	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03316	0.8
59.01241	1.3
71.20606	1.4
80.38309	0.6
95.04910	1.2
97.02817	0.7
97.06470	1.9
98.03604	0.9
111.08038	0.8
113.09603	3.5
115.07519	2.3
115.70190	0.6
125.05969	1.1
126.06750	0.8
127.07528	0.6
139.11183	1.2
141.09087	2.3
141.40706	0.5
151.11186	1.3
155.09180	0.5
165.12733	4.3
167.10698	0.5
167.14294	2.3
181.12260	5.0
183.13773	1.4
192.87309	0.5
193.12270	1.9
193.15923	0.9
195.13806	2.2
209.15353	0.6
211.13367	4.6
213.14914	0.8
217.15907	0.8
221.15372	1.7
229.14372	0.9
239.12949	1.1
240.13617	2.5
241.14473	1.2
241.69109	0.6
247.20636	5.3
263.20111	0.8
273.18622	3.0
281.21222	1.9
291.19656	50.2
292.19962	3.9
309.20697	100.0
310.21008	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
59.01242	3.0
68.06775	0.8
69.03329	1.5
70.53077	3.2
71.04880	1.9
75.41688	1.1
84.28192	0.8
88.07025	0.9
94.67014	0.9
95.01258	1.2
95.04932	1.6
97.02850	1.4
97.06514	0.9
98.19869	1.1
99.00787	6.0
110.03623	1.2
111.08060	2.2
113.54468	0.8
119.08537	4.3
123.04355	1.5
123.89620	0.9
125.09590	3.3
125.83758	0.9
127.11144	1.3
137.09634	8.2
141.12756	1.1
151.03944	16.0
151.07558	29.9
152.08336	29.0
153.08684	1.5
155.10643	1.2
160.47575	0.9
163.11176	4.5
165.09160	1.4
165.12802	8.5
166.09853	1.6
167.10588	1.1
167.14212	0.8
171.10188	18.0
175.07619	1.1
177.12729	1.3
179.14317	3.5
181.12233	3.4
184.07315	3.9
185.11737	4.2
190.09952	3.2
193.08641	3.1
193.15938	1.2
197.11757	2.3
201.11261	1.3
208.10938	3.4
209.11932	2.5
209.15405	47.3
210.15733	4.0
213.11264	2.0
219.17445	1.5
223.13326	2.7
247.16972	3.1
247.20580	6.7
252.10030	8.1
265.18115	11.2
273.18719	4.5
291.16522	3.7
291.19647	100.0
292.19965	12.1
309.17038	86.6
309.20697	93.4
310.17358	8.5
310.21014	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.8
59.01247	4.6
69.03330	6.1
70.41209	5.5
98.89256	1.4
107.08481	1.7
119.08564	15.5
125.09641	7.5
127.11170	2.2
128.88600	1.5
135.08058	3.2
137.09628	31.4
138.09987	1.5
139.11122	1.8
151.11206	2.3
155.10719	3.7
160.91933	1.4
167.10683	3.2
171.10179	100.0
172.10518	5.3
183.10205	6.1
185.11765	25.9
195.10162	2.1
197.11760	3.9
201.11279	5.3
209.15532	1.6
211.13139	2.2
213.11238	7.1
229.19473	1.8
229.71219	1.5
247.20758	1.5
273.18683	8.8
274.19360	1.4
291.19635	33.2
292.20004	5.1
309.17081	3.9
309.20682	35.4
310.20966	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.2
59.01237	3.1
67.01761	1.7
69.03321	1.0
70.26102	2.6
70.26491	1.5
83.04911	2.1
97.02836	5.2
97.06483	2.4
111.08054	1.7
113.40891	1.0
121.10127	12.4
123.08045	1.2
125.09628	9.2
137.09642	7.5
141.12752	1.9
167.10722	1.2
167.14278	2.2
171.10190	13.2
183.30957	1.0
185.11774	12.2
194.50026	1.2
195.13829	2.0
197.11731	2.9
211.13336	61.6
212.13669	3.7
247.20558	1.3
263.80444	1.3
273.18597	1.9
289.17975	1.3
291.19656	100.0
292.19992	11.0
309.20679	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	309.2071
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03310	2.4
57.46425	0.7
59.01253	4.1
69.03304	1.2
70.36061	2.1
71.01239	1.0
71.04888	10.4
80.02567	0.8
83.04914	1.4
85.02835	1.0
90.25336	0.7
95.04909	1.5
97.06460	3.5
107.04893	0.7
111.08007	1.7
113.09612	1.6
115.07525	1.0
121.10112	2.8
123.08054	1.4
125.09607	3.7
125.34348	0.7
127.11190	0.8
135.08064	1.2
137.09612	10.1
139.11220	0.9
141.09091	1.8
141.12709	1.1
151.11174	0.9
157.08600	1.0
160.22296	0.7
163.11171	3.2
165.12772	4.8
167.10661	0.9
167.14314	1.0
171.10185	28.0
172.10469	1.6
177.12686	0.7
179.14384	1.3
181.12280	3.6
185.11740	4.8
193.12163	0.9
195.14005	0.8
197.11761	1.2
209.11772	1.3
211.13362	2.0
223.13373	1.3
233.15427	1.0
235.17027	1.8
237.14880	0.9
247.20650	6.6
248.20905	0.9
251.16527	7.7
252.16736	0.9
273.18546	2.8
291.19659	80.3
292.19992	7.7
309.20700	100.0
310.10941	0.8
310.21048	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.0
59.01253	7.2
69.03326	8.8
71.26899	3.5
73.07420	1.9
108.05725	2.4
108.38181	1.9
111.02405	1.8
111.08035	2.5
119.08549	23.0
125.09599	7.2
127.11231	2.6
137.09631	34.6
151.07541	2.7
155.10661	4.7
167.10722	4.8
171.10184	100.0
172.10506	5.8
177.26894	2.0
183.10223	4.1
184.07121	2.4
185.11792	25.7
197.11810	7.2
201.11270	7.2
213.11263	9.4
229.19572	3.9
239.41318	1.9
259.80554	2.1
273.18616	12.5
291.19623	29.5
292.20090	2.8
309.17285	4.6
309.20663	56.4
310.21024	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.3
62.51125	0.8
70.85079	1.8
71.04913	0.6
80.02568	0.8
85.71149	0.6
97.02903	0.6
103.70757	0.6
110.03625	0.8
113.18742	0.6
123.04439	2.2
123.08061	1.8
125.09613	1.0
127.07536	0.6
137.09615	1.5
142.02570	0.7
142.54921	0.6
151.11221	3.8
153.09097	0.6
167.14346	1.0
171.10216	2.3
177.12770	1.6
185.11765	2.0
195.13853	3.3
204.91855	0.6
213.34949	0.7
221.11749	4.1
221.15364	0.8
223.13278	1.0
237.14931	0.8
239.12840	1.8
240.13705	0.7
247.20709	6.1
251.16536	1.2
273.18604	1.4
291.19653	100.0
292.19958	9.2
309.20697	55.5
310.20865	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	309.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.2
70.26450	3.3
71.01249	18.0
72.99165	3.0
78.95784	1.0
80.39697	0.9
87.00742	1.0
89.02316	1.2
89.03883	1.2
98.20460	1.3
111.76639	0.9
115.00256	40.4
117.03336	4.5
123.07271	1.0
133.01326	85.6
134.03629	100.0
135.03954	3.9
145.02827	2.2
147.03162	1.7
148.03937	2.6
149.05962	3.7
161.02290	1.7
193.04990	71.3
194.05280	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	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65902	0.8
52.15628	0.8
52.43312	0.8
59.01254	0.9
62.12717	0.9
71.00858	1.3
71.01254	25.4
71.29017	1.5
89.03851	2.3
115.00266	10.5
117.03349	10.0
133.01321	4.5
133.02870	0.9
134.03633	100.0
135.03941	2.9
137.02345	1.4
139.03867	0.9
149.05992	7.0
161.02551	0.9
178.02679	5.0
193.04999	79.3
194.05284	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	308.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72317	0.9
52.83272	1.0
56.55645	0.9
59.01241	1.7
70.05783	4.6
71.01252	7.9
88.03911	33.8
114.01875	5.5
115.00256	14.2
132.02921	100.0
133.03236	2.0
134.03648	13.9
149.06012	6.0
160.01521	2.0
175.03960	1.5
193.04987	2.5
219.90894	0.9
238.54163	1.1
240.87729	0.9
308.07794	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	308.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98810	1.4
59.01245	3.6
65.90436	1.6
69.79796	9.1
71.01257	24.6
74.02332	3.3
84.04437	2.9
88.03907	3.8
90.85117	1.6
98.20475	1.7
108.02055	4.4
114.01862	34.5
115.00255	41.8
117.03309	3.6
123.04407	5.2
128.03426	3.1
132.02022	2.4
132.02916	16.9
134.03627	100.0
135.04445	11.3
135.70938	1.6
139.93109	1.5
143.04489	4.7
149.05986	64.8
150.06332	2.1
160.01579	4.3
161.02274	2.5
162.03102	2.4
162.05531	2.1
162.06816	1.8
175.03888	4.6
176.07137	3.7
177.05475	5.1
177.07877	3.2
187.06302	4.1
192.06578	35.3
193.04991	34.7
193.06789	2.0
204.06407	1.8
211.08569	1.5
220.09795	3.2
246.07707	11.7
264.08749	9.2
308.07745	72.0
309.08087	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.3
57.03330	6.6
59.01248	20.7
61.98682	2.5
65.03836	60.5
69.03329	3.1
70.49700	5.4
71.01234	10.2
71.04893	45.0
80.02568	3.2
81.03341	3.1
83.04903	5.6
85.02831	5.1
89.02354	2.5
93.03362	5.3
95.04912	2.4
96.95877	2.3
97.02767	2.3
97.06470	71.2
97.54113	1.9
98.19918	2.4
101.02328	4.0
103.03891	6.2
113.02322	2.7
117.06982	3.4
119.08549	18.8
121.06484	100.0
123.08047	5.6
125.09619	47.5
133.06606	2.1
135.04387	3.8
135.08052	26.2
137.09605	4.8
141.12730	3.3
142.46072	2.0
161.04416	3.6
163.11255	3.3
171.10188	20.8
185.11766	84.2
186.11928	4.3
208.09589	2.0
209.11801	42.2
211.13338	35.8
233.15388	4.9
235.13374	95.9
236.13731	6.4
245.19106	6.6
249.14839	12.0
271.16953	3.4
289.18140	57.0
290.18472	3.7
307.10754	9.7
307.15665	4.0
307.19162	56.5
308.19327	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.60336	0.5
59.01248	0.9
63.62439	0.4
71.01241	0.9
71.41470	1.0
73.01669	0.5
74.78741	0.5
76.21753	0.4
92.25990	0.4
129.86769	0.4
170.34938	0.4
241.61038	0.5
307.22781	100.0
308.23114	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96726	1.8
55.01757	3.4
55.65966	1.4
57.03315	4.7
59.01243	8.2
59.97799	1.6
61.98688	4.1
65.03834	59.6
66.04182	1.7
66.68495	1.4
69.03320	3.1
69.17822	1.8
69.18221	15.9
71.01247	5.2
71.04888	38.8
73.02822	2.7
79.53249	1.6
85.02849	2.3
89.02344	1.8
92.71269	1.4
97.06466	71.2
98.20678	2.6
101.02337	1.8
103.03877	2.0
119.08576	10.3
121.06477	99.0
122.06815	3.0
123.08066	3.3
125.09612	42.1
137.09569	4.1
141.12704	2.0
160.51772	1.5
161.04538	2.4
165.12679	1.8
167.14223	1.7
185.11755	79.4
186.12090	4.6
194.18050	1.7
209.11768	33.9
211.13336	30.7
217.12341	2.6
235.13356	100.0
236.13710	4.8
245.19084	1.9
289.18060	17.8
290.18448	1.7
307.10657	2.2
307.19144	31.9
308.19330	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	307.1914
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03310	7.9
59.01248	14.6
60.18084	1.7
69.03327	4.6
69.37332	15.5
71.01244	12.7
80.02550	3.1
81.03333	3.1
81.55171	2.2
83.04910	5.4
85.02798	1.9
86.23255	2.1
95.04932	2.6
97.06481	14.9
98.20525	3.0
103.03878	3.6
109.06496	3.4
111.08039	11.0
113.02322	2.1
121.06505	3.2
125.09591	5.5
137.09639	4.3
138.06754	2.3
149.09578	5.3
151.11177	19.8
153.09131	3.8
153.12730	3.3
155.10674	16.0
161.04564	2.8
163.11139	5.1
165.12776	19.9
167.10661	3.8
169.12224	2.9
171.10211	5.1
175.82748	2.0
177.12682	3.0
179.10699	6.4
181.12279	22.6
191.10724	10.6
191.14348	8.8
197.11734	4.9
205.12268	5.5
209.11787	41.4
210.11977	2.4
211.13300	9.1
224.10275	2.0
239.09235	2.8
245.19058	34.8
246.19165	2.4
263.20099	10.1
279.19806	4.0
289.18091	54.2
290.18292	3.0
307.10315	3.9
307.19110	100.0
307.22647	5.2
308.19385	8.8
321.81323	2.4
325.83957	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00994	0.7
59.01254	5.6
59.88655	0.8
70.26283	3.0
70.40180	0.7
71.01248	1.7
71.04891	4.5
73.02814	0.9
74.57915	0.7
80.02570	1.1
81.03324	2.5
83.04871	2.3
95.04903	2.3
98.03604	2.0
106.04146	1.1
106.95128	0.8
109.06471	11.8
111.04417	7.2
112.05122	0.9
123.04372	1.5
123.08041	0.9
125.09589	2.1
127.07520	2.6
135.08005	0.8
137.09590	1.5
143.10710	1.1
145.06473	2.1
149.09602	1.0
151.11105	0.7
163.11179	1.5
167.10689	2.9
179.10693	1.3
181.12187	1.2
185.11687	3.7
191.14299	3.5
195.13824	3.6
199.19737	0.8
207.10194	2.5
225.11255	1.3
227.17969	0.9
234.35081	0.8
235.13290	1.1
245.19046	9.6
251.16397	1.2
271.17078	2.0
287.16476	2.1
289.18091	100.0
290.18396	7.7
306.00595	1.1
307.10287	1.7
307.15698	1.2
307.19153	18.5
308.19360	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03326	12.7
59.01246	14.2
69.03322	5.6
69.44067	10.3
69.44495	8.0
71.01253	13.6
71.20689	2.1
72.59884	2.5
80.02572	2.7
83.04906	6.1
85.02803	3.7
89.02308	2.7
95.04874	6.3
96.95867	2.5
97.06453	19.8
101.02348	3.0
106.04088	3.3
107.04936	2.9
109.06477	4.7
111.08057	10.7
121.06469	10.4
123.04417	3.2
123.08041	4.0
125.09616	11.0
127.11113	2.8
135.08029	4.6
137.09637	4.0
149.09595	7.3
151.11201	25.0
153.09109	10.1
153.12737	2.5
155.10666	13.1
159.07948	2.6
161.04424	5.7
163.11169	5.2
165.12778	33.2
167.10648	5.4
169.12271	3.4
171.10144	22.1
177.12772	3.2
179.10670	8.4
181.12227	28.2
185.11743	35.8
191.10678	15.4
191.14375	10.7
195.10187	2.3
197.11760	4.0
209.11772	57.4
210.12216	2.9
211.13306	10.4
212.10414	2.9
224.10359	2.7
226.12050	2.6
235.20660	2.4
243.17514	2.6
245.19075	40.1
261.18591	6.5
263.20190	11.9
271.17017	2.5
279.19598	8.4
289.18103	57.9
290.18365	3.5
307.10309	3.8
307.19101	100.0
308.19464	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59435	0.5
59.01244	2.9
61.40923	0.5
71.01245	1.6
74.98946	5.0
89.02312	0.7
91.02082	1.9
93.00004	3.5
98.19704	0.4
98.20187	4.3
101.02292	0.6
103.03854	0.7
106.84300	0.5
107.04381	0.5
149.00870	2.8
149.70691	0.6
159.08362	7.0
161.04434	0.9
161.06332	1.3
192.98010	0.6
206.99606	1.7
209.01167	3.0
217.07117	0.8
223.02782	49.8
224.02774	3.9
225.00635	0.7
229.64218	0.7
233.45624	0.5
241.03972	1.1
275.05850	0.7
289.07544	2.3
291.09091	100.0
292.09207	9.9
307.12228	2.3
307.15451	0.7
307.19193	1.5
309.10101	2.1
313.40283	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	307.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	22.2
59.43169	2.9
65.13390	3.0
69.03326	4.5
71.01250	16.7
71.45212	6.1
72.04414	27.2
73.02823	5.0
81.44898	3.1
85.02803	5.0
87.00755	3.5
87.05509	15.7
88.03934	13.4
91.05418	5.1
96.95876	11.0
97.03947	3.5
99.00765	3.8
99.05509	7.3
100.03918	100.0
101.02335	6.8
109.03972	4.8
113.70853	3.0
114.01867	3.7
115.05017	97.5
118.06461	4.2
135.04428	3.8
143.04594	3.4
144.02919	53.4
147.04387	4.6
161.04449	6.9
173.74564	4.1
176.07094	20.1
201.10257	11.5
219.11316	3.7
220.06273	4.0
225.28070	3.3
235.10791	50.5
235.12914	5.0
236.11195	3.9
245.09271	19.4
263.10373	15.6
265.05750	4.1
307.10205	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.3
69.63927	2.2
71.01260	1.1
74.98940	4.8
85.02839	0.7
89.02325	0.4
91.02085	1.9
93.00004	3.6
97.02869	0.4
98.19843	0.4
101.02307	0.6
103.03874	0.6
116.16102	0.4
121.02853	0.3
149.00841	2.6
159.08388	6.9
161.04518	0.8
161.06303	2.3
192.98074	0.7
206.99617	1.4
209.01241	2.5
211.26572	0.3
217.07191	0.7
217.47406	0.3
223.02782	47.8
224.02878	3.3
225.00790	0.4
241.03813	1.5
242.03947	0.3
245.18997	0.5
289.07520	1.9
289.18140	0.7
290.07709	0.4
291.09088	100.0
292.09204	10.0
307.12198	2.1
307.15314	0.5
307.19141	1.4
307.22223	0.3
309.10217	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	306.2074
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
51.67913	2.1
54.37086	2.2
58.02805	2.5
58.17638	2.2
59.01251	13.7
62.13302	2.2
69.04959	2.4
71.01237	10.3
71.49429	4.6
71.49821	3.5
73.13630	2.2
85.02832	2.6
89.02272	2.9
90.44579	2.2
101.02361	2.4
103.03855	2.9
137.09584	3.9
143.04497	2.5
152.30412	2.4
168.10236	13.8
174.12755	7.9
209.11736	3.1
220.13327	3.6
242.19077	3.9
244.20653	18.1
270.18658	14.9
288.19638	40.4
289.17676	4.0
289.20377	9.8
306.20734	100.0
307.10306	5.9
307.19150	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
58.65144	1.1
59.01257	1.5
69.91662	4.0
96.04116	0.9
110.75275	1.0
305.24854	100.0
306.25168	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0764
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02850	15.4
59.01251	5.7
62.48849	1.1
64.23945	1.1
66.03357	1.6
70.02839	2.2
70.62646	3.4
70.62975	1.1
71.01253	3.4
72.00783	3.1
74.02341	29.9
79.95601	2.1
81.04468	1.6
82.02846	3.3
86.02350	10.8
86.05997	2.7
86.98975	2.2
87.05508	10.4
88.03942	1.3
90.00085	4.0
96.04489	1.1
96.95884	28.0
97.03947	3.7
98.95477	3.2
99.05520	25.6
100.00265	2.8
101.07084	3.7
102.05460	3.3
109.03951	4.3
111.05544	2.4
112.03918	5.0
113.03456	1.9
116.01633	2.0
116.04911	2.1
120.01105	1.6
123.05514	2.9
124.03963	1.5
125.03469	2.0
127.05025	5.3
128.03426	72.5
131.04521	2.4
135.04498	1.6
135.05521	5.8
139.04990	1.3
141.06602	9.9
143.04521	100.0
145.06079	5.2
146.04480	6.6
149.07085	1.5
151.65105	1.2
153.06587	6.6
154.02550	1.3
155.08162	1.7
160.00635	20.6
166.09731	3.1
167.04515	9.3
167.08134	1.8
171.07683	2.1
174.05499	1.8
177.03313	7.1
179.04526	20.5
181.06168	1.7
184.10852	2.2
185.05565	3.8
189.79626	1.2
197.05614	2.1
197.18645	1.2
198.08884	1.7
207.83705	1.2
210.08760	18.1
218.11729	2.8
226.11610	2.2
242.07832	2.3
254.07788	23.4
261.03568	1.4
272.08856	27.8
273.09149	2.3
288.06555	6.0
306.07578	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03326	1.9
59.01240	4.7
61.98684	3.2
65.03831	4.3
69.03316	1.2
70.64845	3.2
71.01241	2.2
71.04894	9.1
78.64737	1.1
79.05396	12.3
79.98630	0.9
81.03315	1.4
83.04886	2.6
85.02798	1.0
87.00743	1.3
90.78757	1.0
91.12487	0.9
93.03320	2.2
95.04881	2.5
96.44791	1.0
97.06465	17.8
106.04117	9.3
107.04910	2.7
107.97050	1.3
108.02032	1.0
109.06485	2.7
113.02336	1.3
119.04900	1.9
120.05685	6.0
121.06461	4.2
123.08043	6.5
125.02313	1.3
125.09622	16.6
130.20218	1.0
133.06465	1.9
135.08060	100.0
136.08400	4.2
136.33044	0.9
137.09621	2.2
151.11212	2.0
161.06061	1.6
162.06688	1.4
163.11211	1.5
171.10161	2.9
177.12837	1.6
183.10332	1.2
185.11772	2.1
189.12634	2.4
199.13399	1.5
205.15924	5.6
207.10150	1.8
209.11734	3.9
231.13850	1.7
233.11858	1.2
243.17590	1.4
249.14935	48.2
250.15266	2.7
263.16339	2.3
269.15457	1.4
277.17889	1.3
287.16507	12.2
305.08282	3.3
305.17584	86.1
306.17963	8.0
314.48166	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01247	10.5
61.98704	5.6
63.97897	2.7
71.01245	3.3
71.04897	21.6
71.50146	4.3
75.73763	2.3
81.03328	4.4
83.04881	3.0
93.03339	4.1
95.04901	11.1
97.06513	3.0
102.94049	2.5
109.06477	7.8
113.02336	3.7
122.03622	3.2
124.78707	2.6
125.09605	6.6
135.08040	12.5
143.04562	3.5
147.08064	2.6
165.09151	8.4
185.11771	5.8
189.12825	6.1
205.15927	5.8
233.11734	4.0
243.17522	10.3
249.14967	11.1
261.18567	2.9
287.16498	54.2
288.16922	5.7
305.08423	8.4
305.17612	100.0
305.21280	7.4
306.17856	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	305.137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34248	0.8
57.03299	1.1
58.41277	1.0
59.01252	22.3
61.98697	1.2
69.03326	4.1
70.62953	2.7
71.01253	2.8
71.04897	3.7
85.06409	1.1
86.93688	0.8
93.03316	1.8
95.04908	1.5
100.47866	0.9
100.94736	1.0
108.02059	1.3
108.05665	1.0
109.06435	1.2
113.02299	1.4
121.02853	1.4
121.06461	1.2
125.09606	2.2
128.03418	1.0
143.04492	1.5
165.12744	1.3
167.10689	5.1
171.10141	1.5
177.12810	1.9
179.10696	1.7
179.14417	5.3
187.20204	0.9
189.12747	1.1
195.13863	12.4
205.12244	11.6
223.13350	100.0
224.13713	6.0
243.17531	1.6
245.11584	12.1
287.16528	7.4
305.08466	4.5
305.13757	10.6
305.17575	17.3
306.17941	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	304.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64270	0.6
57.97152	0.6
59.11674	0.7
71.01255	14.8
71.35854	0.6
71.36210	0.9
72.99178	4.1
75.61445	0.6
78.95763	0.8
87.00749	1.9
89.02309	2.0
109.20392	0.7
111.01903	2.7
115.00259	43.8
116.00577	0.7
123.98181	0.7
133.01328	100.0
134.01682	2.1
216.71204	0.7
270.17505	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	305.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02825	0.6
59.01250	35.1
69.54163	1.3
69.54572	3.0
74.02345	1.0
79.95598	2.7
86.02322	0.8
96.95887	100.0
97.06464	2.3
99.00736	0.6
99.05515	1.0
109.02856	0.7
114.83017	0.6
125.02304	1.1
128.03403	3.1
135.07991	0.6
137.02344	0.9
139.00157	0.7
141.06604	0.7
143.04526	4.2
143.06981	0.9
147.08041	1.3
160.00594	1.7
179.04594	1.1
210.08710	0.8
219.82947	0.6
225.11266	17.0
231.73433	0.6
243.15887	0.6
254.07872	1.9
272.08920	1.3
305.06992	79.3
305.16113	2.8
306.07437	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	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	41.6
59.03187	0.4
59.27585	0.3
67.64803	0.3
70.06870	0.7
70.07274	0.9
78.10559	0.3
93.43373	0.3
151.11229	0.3
157.32074	0.3
168.13855	100.0
169.14221	4.9
189.58818	0.3
212.12886	4.0
212.95853	0.3
304.19397	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	304.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74009	0.2
56.80603	0.2
59.01234	0.6
71.01254	12.1
71.48934	0.5
71.57632	0.2
72.99177	3.2
74.07681	0.3
78.95760	0.3
87.00761	2.1
89.02309	2.1
99.00769	0.3
105.88358	0.2
111.00753	0.5
111.01884	3.0
115.00256	40.1
116.00607	0.7
133.01323	100.0
134.01666	1.8
171.74362	0.2
181.59180	0.2
228.97551	0.6
238.61795	0.3
246.04111	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	301.2173
Annotation	Abietic acid
Peak:m/z	Relative Intensity
54.23917	1.0
63.30296	1.0
68.26303	1.0
70.39645	1.2
71.50675	1.7
74.64434	1.1
92.24202	1.0
94.02777	1.3
111.69936	0.9
113.88096	1.1
119.09583	0.9
119.61168	1.1
123.00773	3.2
128.26822	0.9
131.55998	1.0
138.03140	1.5
151.00299	2.1
188.46979	1.0
210.37097	1.1
229.68301	1.0
271.05966	1.1
300.99854	10.6
301.03214	2.1
301.21716	100.0
302.00323	1.4
302.22070	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	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	33.2
61.31252	14.6
66.24690	15.2
69.62170	100.0
76.95664	14.8
96.95881	21.9
113.15331	15.2
114.05506	25.5
129.72054	15.5
138.06569	16.6
155.10638	35.3
169.05688	15.1
175.06276	15.1
217.10751	36.0
229.14500	32.0
249.18576	16.1
303.04007	51.4
303.13446	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24710	0.5
55.94106	0.6
58.00449	0.6
58.30496	0.7
59.01249	100.0
60.01576	0.9
66.60483	0.6
67.15434	0.7
68.46618	0.6
69.03349	0.7
69.34625	2.3
69.35050	3.0
71.01258	12.2
73.02820	7.5
83.01270	2.1
85.02831	1.5
89.02324	5.8
95.01257	1.2
96.95873	0.8
98.20576	1.1
101.02319	7.8
113.02322	4.0
115.66628	0.6
119.03398	1.1
131.03549	0.6
161.04514	1.1
167.10747	0.7
185.11783	0.9
223.99136	0.6
229.14372	0.7
244.27505	0.6
300.53247	1.0
303.14325	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	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
54.67776	0.3
57.03316	1.6
59.01249	2.2
65.00188	0.7
69.03320	1.1
69.47813	1.6
69.48244	1.0
71.01245	0.8
71.04886	0.8
79.95618	0.5
81.03339	0.5
83.01233	0.4
83.04881	2.0
84.02036	0.4
85.02818	0.8
86.84876	0.4
95.04883	1.4
96.95883	1.1
97.06472	7.1
99.08038	10.2
107.01275	0.4
109.06467	1.4
113.09576	0.4
115.07511	0.4
127.07541	0.6
127.11205	2.6
129.09122	0.9
135.04413	1.2
137.09608	1.2
137.44969	0.4
138.03133	0.5
139.07574	0.6
139.11203	6.2
140.11555	0.4
143.07001	2.0
151.00262	0.8
155.09529	0.6
155.10690	6.0
159.04285	0.5
161.02393	0.8
165.01791	0.6
165.09145	1.0
171.10072	0.4
172.05205	0.8
181.08630	1.4
181.43939	0.4
183.10199	31.8
184.10571	2.0
191.53641	0.4
199.03944	3.1
200.04700	2.4
201.11266	14.8
202.11636	0.7
210.03160	0.7
211.03906	2.3
227.03406	1.6
228.04314	4.0
232.98593	0.4
237.18623	0.5
243.06586	2.3
255.02971	0.4
256.03711	3.5
257.04080	0.7
265.18097	2.3
271.06128	18.5
272.06601	1.9
283.19095	1.0
286.08447	11.4
287.08792	0.9
300.99860	1.4
301.03534	4.6
301.10925	9.4
301.20193	100.0
302.11066	1.0
302.20520	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97380	0.8
66.95277	0.2
69.71198	1.2
74.98969	0.7
89.85085	0.2
92.99973	0.3
98.19814	0.4
118.96197	0.6
134.99297	5.9
136.97250	2.2
141.07300	0.3
143.05225	0.5
150.98824	0.5
159.08374	1.4
161.06305	6.2
178.99803	0.3
187.02461	0.3
201.03990	0.8
203.05586	3.0
205.03484	1.0
215.05641	1.1
217.07156	81.4
218.07295	5.6
235.08269	0.7
261.06186	0.8
283.11945	0.6
283.15445	0.3
285.13458	34.7
286.13644	3.8
300.99893	1.7
301.16586	100.0
302.00464	0.2
302.16779	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0352
Annotation	Bracteatin
Peak:m/z	Relative Intensity
57.03326	0.5
59.01242	2.1
61.98702	0.3
63.02267	6.7
63.44078	0.3
65.00195	12.6
65.88558	0.4
71.01253	0.4
71.50471	0.5
79.59972	0.3
83.00751	0.5
83.01254	9.4
85.87576	0.3
91.82110	0.3
93.03336	3.8
96.95889	0.8
107.01268	19.1
108.01564	0.5
108.04423	0.5
108.99196	0.5
109.02837	2.1
111.00764	1.0
121.02842	19.1
122.03185	0.5
123.00748	0.8
124.01528	0.8
124.07560	0.7
125.02338	0.5
135.00713	0.4
136.07562	1.4
137.02341	0.4
138.03036	0.5
139.03885	2.9
145.02867	0.5
147.04410	0.5
149.02380	2.9
151.00270	58.8
152.00584	1.8
159.04425	1.0
161.02361	1.4
161.05923	0.5
163.00284	1.3
163.03891	1.1
164.01109	1.8
169.01344	5.4
175.03918	0.7
178.99780	20.8
180.00157	0.6
183.04416	0.8
185.05966	0.7
187.03960	0.8
193.01352	1.5
199.03981	0.4
201.05446	0.6
203.03406	0.5
205.05064	0.4
209.68108	0.5
210.95438	0.4
211.03925	1.0
215.03441	0.4
217.07181	0.5
227.03444	1.0
229.05020	1.6
231.12489	0.5
243.02856	0.4
245.04568	1.9
255.02925	1.0
256.03561	0.4
257.04477	1.1
257.12964	3.4
273.04004	3.0
299.01907	0.8
301.03510	100.0
301.16763	1.2
301.20160	5.1
302.03839	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	301.108
Annotation	Dihydroflavokawain C
Peak:m/z	Relative Intensity
59.01249	0.6
59.62391	0.4
61.98692	0.5
65.16357	0.4
66.97632	0.4
71.48823	0.7
75.72634	0.3
93.03333	17.8
95.01274	1.9
108.02066	1.2
109.02840	1.6
119.04911	10.8
123.00800	1.2
137.02338	2.0
138.03125	40.5
139.03461	0.8
145.02885	0.9
147.04420	19.8
147.80193	0.4
148.04756	0.6
150.03130	0.6
151.00208	0.6
153.05476	100.0
154.05838	3.8
165.01840	6.4
180.04170	1.2
185.02293	0.6
195.06557	26.7
196.06857	1.2
201.01945	0.5
207.06575	1.2
225.05553	0.6
229.01341	0.8
238.88622	0.5
253.05014	1.1
283.99686	0.6
300.99860	12.2
301.03107	0.5
301.07312	0.6
301.10806	11.4
301.14304	0.6
302.00006	0.9
302.11185	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19477	0.3
57.89363	0.3
59.01247	1.8
60.21498	0.3
68.01283	2.5
69.03341	0.7
69.69505	1.8
71.01254	1.4
73.32855	0.3
81.03355	0.6
84.04411	0.6
85.02821	0.7
88.03957	0.4
89.02318	0.4
93.03317	1.8
95.04868	0.4
96.04406	0.4
96.95880	0.9
98.02343	0.3
98.20541	0.6
101.02321	1.1
102.05492	2.0
108.02041	1.5
109.01589	0.4
109.02837	2.8
110.03610	1.1
111.04410	0.7
120.04522	0.6
120.05256	0.4
121.02878	0.7
122.02370	1.0
122.06019	0.7
123.00761	0.5
123.03162	6.2
124.03973	0.6
124.07568	0.8
128.03426	3.9
130.08643	1.0
134.02321	0.5
135.00719	0.6
136.03967	0.5
136.07681	0.3
137.02348	0.4
137.04730	0.9
138.05505	100.0
139.05844	3.7
145.02811	1.0
146.03304	0.7
146.04495	2.0
152.03394	1.6
152.07007	1.6
153.01797	0.4
162.05531	0.6
166.08707	0.5
167.05740	2.7
168.06595	0.4
172.02422	0.5
180.06566	5.3
181.06989	0.6
181.21927	0.4
206.07927	0.4
210.07721	0.6
222.07593	0.5
240.08838	0.5
250.07159	2.9
266.06766	0.9
300.07471	1.0
300.10886	13.3
300.16733	1.6
300.19412	0.9
301.11246	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	301.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51645	0.6
59.01242	2.3
63.02273	4.2
65.00198	7.1
69.14282	1.5
69.14681	6.6
83.01244	4.5
91.01763	0.9
93.03355	3.3
95.01273	0.7
95.70748	0.6
98.20560	1.8
107.01275	10.8
109.02865	4.7
113.05351	0.8
121.02835	8.0
123.00803	1.5
124.01511	0.8
125.02340	0.8
131.22935	0.7
135.00787	1.0
136.70102	0.6
137.02211	0.8
138.03015	0.8
139.03931	1.5
149.02312	1.9
151.00275	30.1
152.00664	1.0
159.04308	0.7
161.02399	1.2
161.90154	0.7
163.00276	2.0
169.01332	2.0
173.06041	0.8
175.03996	0.9
178.99792	11.4
183.04489	1.0
187.03925	1.5
189.01819	0.7
193.01372	0.9
195.25485	0.7
197.11768	1.9
199.03993	2.1
200.04541	0.8
200.09137	0.7
201.05508	2.1
203.03406	0.8
210.03160	0.8
211.03940	1.9
213.01894	1.3
227.03453	2.2
227.12978	0.7
228.03949	1.1
229.05092	0.8
242.10225	0.9
245.04506	2.1
255.02957	1.9
255.06496	0.9
256.03622	1.4
271.06100	2.6
271.66394	0.8
272.02765	1.1
273.04022	2.4
286.08310	3.3
297.58527	0.8
301.03513	100.0
301.10892	2.4
302.03812	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	300.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00209	0.6
54.48459	0.4
59.01249	3.2
68.01285	2.6
69.03330	1.0
70.36147	1.1
70.36542	0.7
71.01244	1.5
81.03334	1.4
83.04912	0.7
84.04423	0.9
85.02818	1.2
89.02329	0.8
91.01756	0.7
93.03340	3.4
95.04883	0.6
96.95901	1.9
98.95454	0.9
100.03927	0.7
101.02320	2.9
102.05493	6.0
107.03659	0.4
108.02058	4.3
108.04430	0.5
109.02841	7.2
110.02452	0.5
110.03625	3.1
111.04376	1.2
115.94802	0.4
118.02867	0.6
120.04449	1.0
121.02849	2.1
122.02364	0.8
123.00759	0.5
123.02353	0.8
123.03165	6.8
124.07601	1.1
125.02410	0.7
128.03427	9.7
130.08643	0.5
134.02373	1.7
135.00781	1.3
136.03929	1.7
136.07599	0.6
137.02335	1.4
137.04697	0.5
138.05507	100.0
139.05876	3.6
146.03244	1.2
146.04501	6.0
152.03426	3.6
152.07059	2.1
153.01834	1.0
155.07143	0.4
162.05481	1.6
162.09158	0.6
166.08716	0.5
167.05751	2.5
171.02890	0.7
172.02431	1.9
176.07140	1.1
178.05005	1.0
178.08595	0.7
180.06584	6.7
194.08194	1.2
206.08188	0.9
220.06036	0.5
221.06778	0.6
222.07680	0.6
238.07106	1.0
239.08047	1.1
242.70139	0.5
250.07150	6.5
251.07237	0.5
266.06747	1.7
267.06723	0.5
282.06497	0.5
300.07339	3.2
300.10910	14.6
300.16748	1.5
300.19699	0.9
301.11023	0.8
316.44318	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01230	1.0
60.00762	0.4
98.20578	0.7
98.84486	0.4
99.92448	0.6
115.53680	0.4
117.03352	3.1
119.04913	0.8
121.02814	0.5
138.05504	0.8
139.03926	0.4
139.11171	0.9
141.12729	2.7
145.02856	14.6
146.03185	0.5
155.14308	0.7
163.03888	0.4
217.00221	0.6
229.08643	0.5
247.99669	0.5
253.25285	1.3
281.24792	2.3
284.03229	1.5
297.24454	1.0
299.02499	0.4
299.05478	1.5
299.16489	23.4
299.20142	37.8
299.25864	100.0
300.16800	2.3
300.20483	3.5
300.26233	8.2
314.25122	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	299.1862
Annotation	Achaetolide
Peak:m/z	Relative Intensity
55.45821	0.6
56.39994	0.7
57.03327	3.1
58.37068	0.6
59.01247	4.0
69.03338	2.8
69.62147	4.6
71.01266	1.1
78.84477	0.7
81.03322	0.6
83.04912	1.3
85.02819	8.1
86.40709	0.6
95.04916	2.5
95.52100	0.6
97.02840	1.0
97.06464	9.1
98.20537	1.1
99.08028	4.7
109.06481	1.5
114.45258	0.6
117.03352	1.9
125.06000	1.5
127.11198	1.0
135.08093	0.9
137.09613	3.4
139.07594	0.8
139.11218	2.6
143.07034	19.4
145.02852	7.3
149.09587	3.8
155.10672	4.5
165.09198	1.6
181.08681	1.5
183.10187	19.2
193.08656	1.7
201.11241	10.4
211.09726	1.6
219.17615	1.1
263.16586	2.6
281.17493	1.4
284.03271	1.4
299.05713	1.4
299.18753	100.0
300.19211	6.9
300.44016	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	299.1501
Annotation	Cycloparvifloralone
Peak:m/z	Relative Intensity
59.01252	36.7
63.97218	1.2
69.74999	4.3
69.75414	3.1
71.04895	2.2
80.75362	1.3
83.04906	1.9
87.00749	100.0
88.01171	1.6
89.02320	1.8
91.82858	1.2
96.95911	2.0
97.06441	1.6
99.92498	2.5
117.03332	8.3
119.04910	3.4
121.02827	3.1
138.05499	3.7
139.11194	1.7
143.07014	9.5
145.02855	47.2
150.11850	1.6
155.10696	10.6
167.08643	1.5
174.99210	1.7
183.04453	1.6
183.13829	29.1
193.12328	2.1
211.03853	1.7
211.13358	66.1
212.13715	4.9
217.00298	3.9
221.15511	3.0
227.03459	3.4
227.16502	13.7
237.14925	2.7
253.14337	1.5
255.12378	16.0
255.16029	14.5
256.03766	8.2
281.17596	4.3
283.02484	2.2
284.03275	48.8
285.03717	5.8
299.02216	1.9
299.05588	35.1
299.09277	4.5
299.15356	61.2
299.18640	3.7
299.25842	4.3
300.05969	2.6
300.15735	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	299.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45311	2.5
58.00477	4.2
59.01251	83.7
70.35730	10.4
71.00852	3.8
71.01251	68.8
72.99180	7.1
83.01274	3.5
85.02827	12.3
89.02318	100.0
93.03329	7.5
95.01279	3.9
101.02325	45.0
113.02335	25.5
117.03321	11.0
119.03402	40.7
119.04903	45.4
123.03099	6.4
137.02330	23.8
137.05988	5.4
138.04501	5.0
138.05505	71.2
143.03439	4.0
145.02847	43.8
149.04471	2.6
179.05493	4.5
205.06934	2.6
206.04514	3.7
207.04872	8.6
267.07013	12.6
269.04971	2.6
299.05612	3.3
299.16531	69.3
299.25845	5.0
300.11053	4.9
300.16885	5.0
301.37534	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	299.0773
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
53.62793	0.6
57.01727	0.6
57.79699	0.6
59.01253	7.4
70.64146	1.4
71.01255	8.4
72.99208	0.9
73.02802	0.7
75.55344	0.5
83.01229	0.7
85.02833	2.0
89.02309	8.5
93.03333	64.4
94.03677	2.3
101.02302	4.9
101.69403	0.5
108.02044	1.6
113.02352	3.0
117.03345	2.8
119.03397	2.5
119.04898	5.7
123.03223	0.7
137.02342	100.0
138.02646	3.7
138.05496	5.7
143.03397	0.7
145.02856	11.0
145.03943	1.0
146.03119	0.6
152.01102	1.2
161.04570	0.6
186.43730	0.6
207.04807	0.9
267.06967	1.2
284.03568	0.6
299.07877	1.1
299.16479	18.8
299.25879	1.5
300.16873	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	299.0924
Annotation	77744-53-7
Peak:m/z	Relative Intensity
59.01254	1.3
63.02258	1.0
65.00197	1.8
71.20616	0.3
80.02551	0.3
89.00212	0.3
91.01762	0.4
93.03336	10.5
94.03694	0.2
95.01276	0.8
95.04918	0.3
96.02055	0.5
97.02834	1.9
99.92487	0.3
103.70938	0.2
107.01283	2.8
108.02071	1.8
109.02838	0.2
114.02547	0.2
117.03352	1.3
119.04922	3.5
121.02851	0.5
122.03626	0.9
123.00780	0.6
124.01553	58.7
125.01871	1.6
133.06485	6.4
134.06789	0.3
135.00778	0.4
135.11725	0.2
136.01559	8.8
137.01877	0.2
138.03136	1.1
139.03909	100.0
140.04236	3.4
145.02859	3.7
149.99504	0.4
150.03142	2.7
150.98775	0.3
153.05469	2.7
163.00291	1.7
165.01834	3.4
165.05457	0.3
177.01852	3.8
178.02634	12.9
179.02985	0.5
190.02583	0.3
192.66522	0.2
193.04990	38.9
194.05339	2.1
205.04967	0.7
208.97528	0.3
210.01643	6.7
211.01962	0.3
211.03838	0.2
217.00256	0.9
266.96371	0.3
269.04529	0.2
281.08069	0.2
282.99454	0.8
284.03156	0.3
298.05173	0.2
299.02646	1.4
299.09238	22.7
299.16418	5.1
299.25967	0.3
300.09583	1.8
300.16830	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	298.1085
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
52.64801	0.3
55.27542	0.3
59.01246	1.1
60.63224	0.3
61.69636	0.3
70.36855	0.6
70.37247	0.5
81.05264	0.3
91.05408	1.1
93.03329	0.8
95.96186	0.3
96.95928	0.4
106.04124	0.7
107.04912	3.1
107.90105	0.3
108.02071	0.5
117.03360	1.2
119.04926	4.1
121.02847	0.5
123.04397	0.9
133.02847	1.9
134.03644	2.7
134.06027	0.7
135.04413	69.9
136.03906	1.2
136.04785	2.5
136.07582	5.1
137.02304	0.7
137.07870	0.4
145.02855	4.6
147.04410	1.7
148.03975	0.8
148.05196	9.6
149.05566	0.5
152.07057	1.9
154.44127	0.3
160.03937	1.4
161.02353	5.3
162.02859	0.3
162.05557	0.5
163.99405	0.3
176.03444	0.4
178.05022	11.1
179.05389	0.6
180.28262	0.3
190.05028	4.1
191.05362	0.3
256.09787	1.3
298.10828	100.0
299.02039	0.5
299.11185	8.6
299.16199	2.8
310.80902	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	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01253	2.1
60.15779	0.2
60.36686	0.2
71.01252	1.1
71.21061	0.4
85.02831	0.4
89.02302	1.1
101.02294	0.6
110.93105	0.2
113.02372	0.4
119.03369	0.6
135.06520	0.4
155.46239	0.2
161.04559	0.2
162.28436	0.2
179.05502	0.3
183.01151	2.8
184.01761	0.3
197.02686	0.3
251.23865	1.4
279.23273	1.2
295.22818	0.9
297.11798	1.3
297.15271	5.3
297.24332	100.0
298.15756	0.7
298.24667	9.5
312.59644	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	297.0768
Annotation	Lawinal
Peak:m/z	Relative Intensity
51.64823	0.5
55.01742	0.5
59.01253	2.6
65.00195	5.3
65.05862	0.5
71.01257	1.1
71.08617	1.0
89.00182	1.3
89.02316	1.8
91.01778	1.1
93.03333	7.3
97.02827	5.1
101.02294	0.6
108.02020	0.7
113.02321	0.7
117.03331	0.5
117.45512	0.4
121.02834	2.4
124.01563	4.1
130.04146	0.4
131.04936	6.4
135.06516	0.8
136.01581	0.6
138.03146	0.7
139.03925	4.2
143.05006	0.5
148.01543	0.7
149.99483	1.8
151.00247	1.2
155.04875	0.7
161.02388	1.0
162.03110	0.6
165.01840	13.3
171.04408	2.4
175.03964	0.5
176.01088	4.5
189.01793	2.0
191.03409	2.7
193.06387	0.5
199.03957	3.5
200.04219	0.5
209.05951	0.6
211.03958	1.2
211.05894	0.4
212.04626	0.5
213.05414	0.5
221.04277	0.5
223.03957	1.5
225.05544	0.7
226.49362	0.5
236.04793	0.9
237.05513	1.3
238.06277	1.2
239.03416	1.1
241.82602	0.5
246.92343	0.4
249.05669	0.8
253.05067	1.2
253.08424	0.7
254.05844	1.2
264.04227	4.8
265.05048	5.1
267.02966	22.4
268.03369	1.5
279.06628	2.0
281.01443	0.8
281.04568	11.2
282.05185	3.1
297.07672	100.0
297.24493	1.1
298.08020	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.90156	0.5
57.03325	1.1
59.01248	4.4
60.55803	0.4
70.36804	1.8
71.01248	1.8
85.02808	0.7
89.02277	0.6
98.20404	0.6
102.26976	0.5
113.09589	2.1
118.54829	0.5
133.05032	0.5
141.12796	0.6
177.12766	0.6
179.14334	1.1
181.12268	0.8
183.13841	2.9
195.13832	22.7
196.14108	1.3
201.10344	0.5
277.21710	19.8
278.21918	2.0
295.22769	100.0
296.23145	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	297.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.2
60.03689	0.2
69.64150	1.1
71.01272	0.2
79.32364	0.1
79.95619	0.7
96.95889	100.0
97.95829	0.4
104.35558	0.1
119.03328	0.1
137.09621	0.2
155.10678	2.1
171.10191	3.1
183.06514	0.1
199.09772	0.2
217.10764	8.4
218.11147	0.3
297.06494	22.5
297.24261	0.4
298.06854	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03315	0.4
59.01248	2.7
70.06789	0.7
70.07183	0.6
71.01247	0.7
83.04880	0.3
85.02798	0.3
89.79670	0.3
97.06467	0.4
99.08035	0.4
112.17106	0.3
113.09605	2.2
125.09676	0.3
128.89935	0.3
162.42438	0.2
169.12265	0.4
171.10103	1.4
171.29366	0.3
177.12759	0.4
179.14272	1.5
181.12234	0.7
195.13831	19.8
196.14192	0.9
233.22763	0.4
239.58875	0.3
277.18600	0.9
277.21707	21.5
278.22125	1.4
295.22763	100.0
296.23117	7.9
296.30847	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03321	0.7
59.01232	1.7
71.26754	1.1
97.06462	0.5
98.19870	0.4
99.08013	0.5
113.09663	0.6
125.09578	1.0
131.16565	0.4
141.12752	0.7
151.11095	0.7
171.10178	38.7
172.10515	1.5
183.10144	1.0
195.13806	1.6
203.30301	0.5
233.22797	0.5
259.20596	0.6
277.21716	49.4
278.22040	4.1
295.22766	100.0
296.23114	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.57582	0.7
59.01248	7.2
59.76079	0.6
68.70384	0.6
71.01241	2.0
74.09902	0.6
85.02833	1.3
89.02322	1.3
96.95910	1.4
98.95467	3.6
101.02353	1.6
127.11237	0.8
133.04962	1.6
141.12773	9.3
155.14354	2.3
155.60910	0.7
161.04408	0.8
249.22263	7.2
277.21725	1.2
293.74277	0.7
295.10413	1.5
295.22791	100.0
296.02243	0.8
296.23126	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	295.2276
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
57.03321	1.6
59.01255	11.4
59.33978	0.7
69.03322	1.0
71.01252	3.3
73.02825	1.0
74.49426	0.7
85.02798	1.9
89.02322	1.7
90.10754	0.8
96.43784	0.7
98.20560	3.3
101.02316	2.5
111.08043	2.6
113.02374	1.2
113.09593	2.5
133.04961	2.5
135.11697	1.0
139.07478	1.1
157.08620	71.2
158.08943	3.0
195.13907	4.3
253.09180	1.1
277.21729	61.2
278.22028	4.0
295.10236	1.4
295.22784	100.0
296.23169	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.49366	0.4
59.01253	3.7
70.18522	1.6
71.01244	0.8
73.02824	0.4
85.02818	0.5
89.02295	0.5
101.02310	0.6
188.44925	0.4
265.21777	1.6
277.21719	3.7
293.21304	0.4
295.22772	100.0
296.23114	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	295.1187
Annotation	Amotin
Peak:m/z	Relative Intensity
57.01622	1.3
57.03317	7.8
59.01255	13.3
61.98680	2.0
69.03310	3.6
69.31799	4.3
69.32223	8.1
71.01252	5.3
71.04873	1.4
73.02808	4.9
79.05398	1.4
80.96394	4.9
83.04909	7.2
85.02831	8.3
95.01227	2.2
95.04900	29.9
96.95873	5.7
97.02824	2.4
97.06452	1.9
98.03604	3.1
101.02316	1.5
107.04897	1.8
109.02830	4.3
109.06468	6.1
111.04401	22.3
111.08041	4.1
113.02326	3.7
113.05968	35.0
115.00248	2.7
115.03889	6.4
119.08601	1.5
120.05707	2.4
121.06477	9.4
122.03655	2.4
123.08063	6.4
124.05232	2.1
125.02326	1.9
133.01317	5.4
133.05066	2.0
135.04411	1.7
135.08022	3.3
137.05978	7.8
137.09636	4.2
138.06778	2.1
139.07567	7.8
149.09618	12.0
151.07536	1.6
152.08372	1.6
155.07022	3.6
163.11194	4.9
165.09142	9.2
171.11674	10.3
173.09616	1.7
175.03957	1.9
179.03476	1.9
180.27588	1.4
189.12772	100.0
190.13066	5.7
207.13835	8.0
223.06151	2.0
233.11842	1.9
251.12856	93.8
252.13274	5.6
267.06693	1.7
295.06113	3.2
295.08850	3.0
295.11862	69.9
295.22607	1.5
296.12250	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	294.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86956	0.2
50.87206	0.2
52.85001	0.2
54.48612	0.2
57.06483	0.2
59.01254	2.3
61.01466	0.2
61.98688	0.5
69.27232	0.7
69.27646	1.8
71.01244	0.8
71.35835	0.3
85.02831	0.8
89.02306	0.3
92.04919	1.5
96.05643	0.2
96.95901	0.7
101.02324	0.3
117.03352	19.7
118.03671	0.7
119.04939	0.5
120.04414	0.8
130.02888	1.0
131.03641	0.8
131.04543	0.3
145.02856	100.0
146.03212	4.7
147.03160	3.0
148.03946	30.4
149.04309	1.1
192.02988	0.4
212.13681	0.2
229.85750	0.2
253.14453	2.2
280.04749	0.3
294.07712	6.6
295.07761	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44631	0.3
57.37022	0.3
59.01244	1.5
69.21747	3.6
69.55686	0.3
71.01248	1.4
81.03343	0.5
85.02809	0.4
89.02316	1.1
113.02334	0.5
121.10102	2.2
125.02388	0.4
149.09604	0.6
161.04448	0.5
165.12892	0.4
171.10178	3.6
179.14377	0.5
181.15984	0.4
193.15819	0.5
203.85405	0.3
220.14639	0.9
221.15398	2.0
225.14908	1.0
236.10542	1.2
249.22238	0.9
275.20166	4.2
276.20425	0.7
293.08759	1.4
293.21210	100.0
294.21567	9.5
294.24615	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	293.2121
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
57.03300	1.7
59.01245	8.9
66.07306	0.9
67.63986	1.0
69.03318	1.0
71.01250	6.5
71.49441	1.4
73.02814	1.1
74.75714	1.0
78.95766	1.2
85.02821	2.8
89.02325	5.1
97.02853	1.4
113.02309	1.0
123.08035	1.3
131.03392	1.6
132.45740	1.0
136.08824	1.4
139.11162	1.0
151.11176	4.2
161.04456	2.5
169.12233	2.4
177.16579	1.0
182.21303	0.9
192.11528	1.1
193.15953	3.4
197.11752	29.3
198.12071	1.5
205.12291	1.1
220.14574	4.4
221.15468	8.3
222.18465	1.1
236.10437	6.5
250.21509	1.7
257.18954	1.0
275.20139	17.3
276.20370	1.5
293.08936	7.6
293.17957	4.1
293.21194	100.0
294.09000	1.0
294.21490	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	293.2123
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.05214	0.6
54.07662	0.4
59.01244	2.6
63.12813	0.4
71.01239	2.1
71.17043	1.0
79.95606	1.1
85.02816	0.6
89.02287	1.4
95.64053	0.5
96.95889	20.3
101.02283	0.5
112.51312	0.5
113.02347	0.7
122.57845	0.5
125.09541	0.7
127.11147	1.5
131.03366	0.6
139.11186	12.0
153.09059	2.7
161.04428	0.9
167.14368	0.6
171.10173	57.6
172.10500	2.3
214.73636	0.5
220.14659	0.9
221.15404	3.6
236.10425	2.0
249.22260	0.6
265.21634	1.5
275.20026	1.4
293.08670	2.1
293.17896	14.5
293.21161	100.0
294.18323	1.1
294.21500	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
64.57502	0.8
87.17491	0.8
97.57160	0.9
98.19794	3.2
99.12978	0.8
117.24799	0.9
121.10108	1.0
137.99207	0.9
144.09810	0.9
171.10193	2.6
179.14282	1.7
195.13844	13.1
196.14400	1.6
205.12312	1.1
205.15866	1.0
206.12531	0.8
211.13246	0.9
223.13318	12.2
228.13632	1.8
230.46649	1.1
230.48982	1.1
231.21202	1.1
236.66251	1.0
256.13107	5.8
275.20151	12.1
293.21225	100.0
294.21576	9.4
307.65121	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99275	1.1
57.03322	1.2
57.39865	1.2
59.01237	4.8
70.99133	2.9
74.13580	1.3
114.89381	1.4
121.10123	51.8
122.10438	2.1
125.09592	2.4
127.11180	1.7
138.51363	1.4
150.04913	1.2
171.10182	94.1
172.10497	3.8
183.13739	1.6
185.11789	3.6
227.33374	1.4
231.21159	4.2
275.20154	100.0
276.20483	10.3
293.21225	61.7
294.21518	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70811	0.5
57.03320	4.1
59.01250	3.1
62.46209	0.5
70.51503	0.9
70.51909	0.9
71.01254	0.7
74.33366	0.4
86.06927	0.5
89.02320	0.7
97.06441	0.5
109.06465	0.8
113.09608	14.6
114.09937	0.6
115.00358	0.6
121.10118	3.4
125.09599	1.1
135.65802	0.5
139.11194	1.5
149.09651	0.4
152.76688	0.6
167.10675	1.9
171.10158	7.8
177.12758	0.7
179.10681	1.6
183.10320	0.7
185.11761	3.1
195.13835	1.5
197.11688	0.9
221.15392	0.8
231.21170	0.7
235.16994	1.1
249.22200	1.6
259.67206	0.5
266.52249	0.5
275.20142	11.9
276.20517	1.1
293.08792	1.5
293.21201	100.0
294.21552	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38393	0.3
57.03324	1.6
59.01252	0.3
69.03313	0.4
69.93600	0.7
69.94016	0.8
71.01252	0.3
81.34127	0.3
83.12476	0.3
85.02818	0.3
97.06468	1.0
98.19891	0.4
121.10073	0.3
123.08052	0.9
124.74739	0.3
125.09626	4.7
139.11145	0.4
141.12747	1.5
149.09602	1.8
151.11191	0.4
165.12859	0.3
167.14316	0.4
175.23097	0.3
183.37314	0.2
185.11752	10.8
186.12137	0.3
197.11751	2.6
211.13403	0.3
242.95450	0.2
249.22205	1.0
257.18939	0.3
275.20093	0.9
293.21219	100.0
294.21561	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	293.2123
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
54.51972	0.5
57.03314	1.1
59.01241	2.5
69.03310	1.1
71.01244	2.1
71.05020	1.0
71.30492	0.5
72.99171	2.1
73.02808	0.8
77.64907	0.5
78.89796	0.6
83.04895	0.7
85.02840	0.8
89.02306	1.8
96.95876	1.1
101.02284	0.6
113.09607	2.7
118.94165	0.6
125.09592	0.8
127.11059	0.6
131.03412	0.8
131.89610	0.6
139.11150	3.0
153.12750	0.9
161.04414	1.4
171.10168	1.0
177.86592	0.5
182.91707	0.5
191.17957	2.5
220.14629	2.2
221.15466	4.2
236.10475	2.5
247.20641	2.8
263.17038	0.6
275.20142	1.6
293.08853	4.3
293.21204	100.0
294.21552	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.4
59.15978	0.8
70.25885	3.3
71.01252	2.5
99.81747	0.7
209.15416	1.4
220.14644	1.7
221.15506	2.0
231.21278	2.2
249.18492	1.1
263.20148	16.3
264.20370	1.6
265.12088	0.8
265.21552	1.3
275.20172	39.6
276.20416	3.3
293.21219	100.0
294.21555	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1034
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
54.36123	1.9
55.01738	1.8
57.03328	4.3
59.01248	9.3
63.12653	1.6
63.92458	1.5
69.03318	2.4
71.01244	11.5
71.04884	2.0
73.02810	2.4
74.67355	1.8
77.05228	1.8
79.05402	5.2
81.03339	2.5
81.45531	1.7
83.01283	1.9
83.04912	6.2
85.02820	9.0
89.02312	7.8
95.01315	2.4
95.04904	15.0
97.02820	17.8
97.06477	2.9
99.04425	3.9
101.02335	7.1
105.06955	3.4
107.04925	7.4
107.16567	2.2
108.02069	3.5
109.02840	15.8
109.06499	11.3
111.04398	20.8
111.08044	4.7
113.02348	4.2
121.06496	11.2
122.03627	62.9
123.04400	5.3
124.05202	38.0
125.02339	2.2
125.05986	10.3
135.04424	13.5
135.08069	5.3
136.05171	7.1
137.05981	31.6
138.06784	23.3
139.07550	100.0
140.07916	2.8
143.03471	1.7
145.06369	2.0
145.10136	4.5
147.08041	4.4
149.06052	2.4
161.04449	6.2
161.05833	2.5
163.07556	3.7
163.11215	7.4
171.08075	15.3
175.07668	2.8
177.12790	3.7
185.09697	3.7
187.11212	76.5
187.12881	4.2
188.11554	3.5
189.09157	6.0
190.09943	13.0
205.12289	53.3
206.12660	4.3
207.79398	2.2
227.70166	1.9
231.10164	15.2
232.10457	3.0
249.11282	35.7
250.11563	4.4
283.42114	2.2
293.10535	46.6
294.10764	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	293.1759
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
59.01247	0.5
59.21426	0.2
61.98695	0.3
68.35204	0.2
68.62614	0.2
71.01252	8.4
71.20800	0.4
80.77563	0.2
89.02291	0.5
92.60689	0.2
112.17545	0.2
120.37163	0.2
122.20271	0.2
127.07552	0.7
148.05153	0.9
151.07538	0.5
164.08313	1.5
177.09120	5.1
178.09637	0.4
190.09911	0.5
192.11491	7.2
193.12097	0.5
205.12280	7.4
206.12622	0.5
207.13855	1.3
217.08591	0.6
218.09428	1.9
220.14632	49.5
221.15404	100.0
222.15749	6.0
222.19258	0.2
235.13342	1.1
236.10498	69.5
237.10878	4.3
293.08728	0.7
293.14258	0.5
293.17587	8.2
293.20755	0.4
294.17911	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.53260	0.3
58.36871	0.3
59.01245	0.4
61.87327	0.3
69.34618	3.2
70.82259	0.3
71.01263	0.5
73.02816	56.7
74.03149	0.7
97.31947	0.3
121.02831	0.5
151.18440	0.4
155.75046	0.4
169.35420	0.3
271.07275	0.4
291.19653	100.0
292.19989	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	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02830	0.9
59.01239	4.1
61.98714	0.6
70.78734	1.6
71.01254	2.6
78.95806	0.9
83.46117	0.6
85.02830	0.9
89.02325	2.2
95.15396	0.5
101.02386	0.6
156.13849	100.0
157.14183	3.5
161.04449	0.7
166.97810	0.5
170.71837	0.5
185.11819	1.2
200.12845	6.8
201.13237	0.5
205.12366	0.8
220.14630	2.6
221.15381	4.6
224.93918	0.5
236.10515	3.5
292.19870	2.5
293.08804	4.1
293.17697	1.4
293.21194	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49218	0.4
58.02853	1.1
59.01255	3.5
61.98695	0.5
63.83835	0.4
71.01249	1.7
71.49419	0.6
75.59716	0.4
78.95756	0.6
81.59277	0.3
85.02821	0.9
89.02309	1.7
101.02321	0.6
131.03403	0.5
156.13841	100.0
157.14197	3.5
161.04463	1.4
192.11530	0.7
200.12859	6.3
201.13072	0.4
205.12227	0.5
220.14667	2.0
221.15439	4.8
234.59790	0.5
236.10481	4.1
267.45239	0.4
275.20227	0.5
292.02103	0.5
292.19977	9.2
293.08853	3.3
293.17737	0.9
293.21133	2.9
295.39310	0.4
299.99069	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	291.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	9.3
57.03325	8.6
58.00455	3.5
59.01249	57.3
65.84515	0.9
69.03305	1.4
69.44629	5.7
71.01251	100.0
72.01576	1.4
72.99183	5.5
73.02817	36.9
74.86006	0.9
75.00748	1.9
83.01256	21.7
84.09571	0.9
85.02821	52.4
85.99972	1.9
86.03159	0.9
87.00730	5.3
89.02319	9.8
92.30168	0.9
95.01286	7.0
97.02826	2.3
99.00762	17.5
101.02322	95.4
102.02655	2.4
111.00761	2.5
112.92015	1.0
113.02327	40.8
119.03374	1.1
125.02327	2.1
127.11192	2.1
129.01826	2.2
143.03387	2.6
159.02875	8.3
161.04463	22.8
165.12772	0.8
199.13354	1.2
205.03468	1.1
227.61783	1.6
240.20158	0.9
291.12241	0.9
291.17981	11.2
292.18433	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.0
62.91546	0.5
66.30034	0.4
70.80495	0.7
70.80833	0.9
71.47346	0.5
93.06983	1.2
97.06454	2.2
121.10123	14.5
122.10461	0.7
123.08025	1.4
125.09615	8.0
141.12755	0.7
145.82292	0.5
147.08052	0.9
185.11755	16.2
186.12042	0.8
197.11743	4.0
209.11784	1.6
211.13295	2.0
223.13312	0.9
247.13362	0.8
247.20833	0.8
273.18591	1.2
283.33221	0.5
291.19656	100.0
292.20035	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
59.01249	0.9
63.64676	0.3
69.03319	0.4
69.55469	2.3
71.01250	1.0
96.35709	0.3
97.06471	0.4
99.07971	0.4
102.81821	0.3
106.30495	0.3
108.05788	0.4
123.08021	0.3
125.09625	1.1
127.11154	2.6
129.86188	0.3
137.09624	5.8
138.10027	0.4
153.09149	0.9
165.12752	0.7
169.08546	0.3
171.10184	100.0
172.10509	4.2
193.15994	0.4
219.17484	0.3
229.19627	0.7
241.94490	0.3
247.20563	0.8
263.20120	2.9
273.18570	1.0
273.93274	0.4
281.96869	0.3
291.19653	17.2
292.19980	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.07463	1.0
70.98779	1.5
127.07681	0.8
141.68527	0.8
149.09607	1.0
163.11224	0.9
165.11368	1.7
165.12762	22.8
175.11116	0.8
176.11990	0.9
217.16000	0.9
223.64427	0.8
234.43639	0.9
247.20638	9.5
247.30362	0.8
273.18646	5.8
291.19662	100.0
292.19916	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	289.1658
Annotation	oscr#14
Peak:m/z	Relative Intensity
55.01765	1.7
57.03324	10.1
59.01250	100.0
59.24492	0.6
59.97361	0.5
68.99682	1.4
69.03311	0.7
71.01244	1.2
71.04897	0.9
71.49650	1.1
75.01905	0.5
75.98067	0.6
81.03358	0.7
83.01257	2.7
83.04898	4.2
84.02055	4.1
85.02824	78.1
86.03172	1.4
87.00748	1.7
93.88624	0.6
96.95885	1.3
97.06450	0.9
99.08033	1.3
102.10719	0.7
109.06492	3.2
111.04424	4.7
117.23698	0.6
127.07561	0.9
129.09093	1.9
156.17096	0.6
183.33302	0.5
185.11708	1.2
191.14317	0.6
227.16542	1.0
245.54291	1.1
246.04205	1.1
258.38019	0.7
271.15417	1.9
289.16574	54.6
290.16785	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	289.1809
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
59.01254	2.9
61.98706	0.8
63.32257	0.3
63.71741	0.3
70.48943	0.3
70.87910	1.0
71.01238	0.5
79.95586	0.3
80.02536	1.1
81.03316	0.8
83.04876	0.5
93.07015	0.3
95.04883	0.8
97.06460	0.4
99.25871	0.3
102.43450	0.3
106.04104	2.0
106.64304	0.3
107.04896	0.8
109.06475	12.0
110.06807	0.6
111.08024	2.3
113.74561	0.3
117.07015	0.3
119.04922	0.3
120.05650	0.4
121.06482	0.8
121.10120	0.5
123.08049	2.1
125.09566	0.4
129.09122	0.5
133.10097	0.3
135.08029	1.2
135.11697	0.3
137.09634	1.6
143.10675	2.5
145.06517	3.5
149.09627	1.9
151.11153	1.2
159.08023	0.4
161.09636	0.5
163.11145	1.1
167.10681	2.1
173.09689	0.4
177.09081	0.5
177.12810	0.5
179.10640	0.7
181.12224	1.0
191.14326	0.5
193.12241	0.5
200.53377	0.3
215.14328	0.4
215.55272	0.3
225.14832	0.4
227.17946	0.3
229.15961	0.3
243.17709	0.5
245.19058	6.6
246.19373	0.6
261.18536	0.5
271.17084	1.8
273.14893	1.0
287.16516	2.6
289.18048	100.0
290.18420	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	289.1658
Annotation	oscr#14
Peak:m/z	Relative Intensity
57.03312	7.2
59.01257	32.9
60.75560	2.1
69.03347	3.1
70.19549	5.8
70.19946	5.7
71.01241	12.9
71.04889	6.5
74.46931	2.2
83.01235	3.6
83.04891	6.6
84.80616	2.5
85.06469	6.1
95.04898	3.7
99.08025	4.7
100.30795	2.8
101.05959	2.8
109.02822	11.1
109.06469	5.7
111.08041	9.0
112.08451	2.3
115.03893	21.7
123.04395	7.0
125.02331	6.7
127.87947	2.7
137.02336	3.3
145.08688	3.5
149.02316	2.9
151.03902	5.5
155.07069	15.1
161.05867	2.7
173.08044	2.5
173.10185	2.3
203.07072	6.5
226.33340	2.6
245.08044	7.2
253.14450	3.4
271.15500	4.4
289.07254	19.5
289.16559	100.0
290.16916	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	289.0719
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03332	4.1
66.63895	0.8
69.03330	1.0
71.26020	1.9
72.02586	0.8
73.41279	0.9
81.03334	4.1
83.01259	3.5
93.03351	2.8
95.01258	1.9
95.04901	6.2
97.02824	9.1
99.04391	1.1
105.10782	0.7
108.02054	2.1
109.02834	34.6
121.02858	4.9
122.03603	1.4
123.03551	1.6
123.04413	26.7
124.04710	0.9
125.01453	1.4
125.02330	19.7
126.02636	0.8
131.04826	0.9
131.44926	0.8
135.04416	3.0
137.02345	12.9
138.03067	2.3
139.03877	4.3
145.02855	1.8
146.03612	1.5
147.04393	1.6
149.02368	3.8
150.03093	2.1
151.03925	9.7
158.26218	0.8
159.04396	4.4
160.05203	1.1
161.02335	1.0
161.06003	5.7
162.03091	1.4
163.03906	2.3
164.01054	3.2
165.01852	4.3
167.03378	2.2
173.06009	1.9
175.03909	2.3
175.07571	2.3
179.03442	7.8
185.06061	1.1
187.03947	5.0
188.04654	3.9
199.07516	1.3
202.06267	1.9
203.07072	12.8
205.04987	9.7
221.08102	3.5
227.07028	1.6
245.08160	34.7
246.08469	1.7
246.62975	0.8
247.06172	1.4
279.67975	0.9
289.07162	100.0
290.07513	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	287.1501
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.01748	2.0
57.03322	10.5
59.01249	100.0
60.01578	1.0
66.57189	0.8
68.99674	1.3
69.03320	2.0
69.70248	4.5
71.01247	2.2
76.35633	0.8
81.03329	1.0
83.01250	3.1
83.04910	4.4
84.02042	4.7
85.02821	89.7
86.00048	0.7
86.03164	2.0
87.00749	1.2
93.03325	1.6
96.95907	0.8
97.02824	1.0
97.06449	7.8
105.61755	0.8
109.06450	2.9
109.08587	0.8
111.04392	5.6
125.02338	5.8
127.07523	1.8
137.05957	1.1
160.89481	0.9
193.00465	0.8
194.60956	0.8
217.43762	0.8
259.06171	2.5
269.13907	3.0
287.05704	2.3
287.14993	57.2
288.15286	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	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01239	0.8
70.79018	0.9
78.95795	0.4
96.95895	0.4
99.08051	2.5
101.16918	0.3
106.97876	0.3
113.09557	0.4
123.04404	0.4
129.09088	0.7
141.12735	1.9
157.08276	0.4
169.12254	0.4
239.20119	1.0
241.21677	1.3
269.21283	3.0
283.73486	0.5
285.20724	1.4
287.22278	100.0
288.22653	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	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.85614	0.3
54.02568	0.3
59.01248	0.8
60.74936	0.3
61.98692	0.6
69.59143	1.1
69.59568	1.0
81.03339	1.4
82.12137	0.3
92.04942	1.4
93.03339	1.7
96.29362	0.3
98.19808	0.5
98.83098	0.3
107.03651	0.4
108.02052	0.5
108.04433	4.9
109.02840	5.8
124.01533	0.5
134.02373	42.3
135.03198	9.0
136.03941	39.4
137.02390	2.0
137.04276	1.4
147.04474	0.3
148.03952	0.8
149.04733	1.1
176.03439	5.5
176.07079	0.3
177.04094	0.5
181.03755	0.4
190.04997	0.5
190.32635	0.3
204.06558	0.4
288.16049	100.0
289.16364	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03328	4.6
59.01236	2.1
59.46821	0.5
68.95790	0.5
69.03326	1.0
70.91131	0.5
71.01242	1.2
71.04880	0.6
71.35435	0.9
81.03330	5.0
83.01256	5.7
83.04899	0.6
83.74062	0.5
93.03337	1.8
95.04892	6.9
97.02824	12.5
102.22534	0.4
108.02032	1.1
109.02831	47.3
110.03165	0.9
111.04430	0.6
111.08029	1.5
115.03881	2.2
121.02837	5.2
122.03604	1.9
123.04404	28.8
124.01541	0.5
124.04736	0.5
125.02329	29.2
126.02663	0.9
126.26627	0.6
133.02840	0.7
135.04420	2.8
137.02348	16.6
138.03079	1.3
139.03908	7.3
145.02861	1.5
146.03616	1.9
147.04434	1.1
149.02335	8.4
149.05928	0.6
150.03096	1.9
151.03908	17.9
152.04260	0.6
155.07053	1.2
159.04401	5.3
160.05167	1.9
161.02336	1.6
161.05986	9.0
161.44200	0.5
162.03117	2.4
163.03896	2.2
164.01070	6.1
165.01822	8.0
166.02618	1.6
167.03391	4.2
167.73521	0.5
173.05937	1.8
173.08209	0.6
174.03102	1.0
175.03891	5.3
175.07501	3.7
177.05515	1.2
179.03410	12.5
180.03986	0.8
183.04475	0.6
184.05228	0.8
185.05980	1.9
187.03922	8.6
188.04688	6.9
199.07593	1.9
201.05469	1.3
202.06285	4.2
203.07066	23.4
204.07385	1.5
205.04991	15.6
206.05403	0.9
212.04733	1.6
217.05122	0.5
217.08597	1.5
221.08110	8.8
227.07109	3.9
229.05180	1.1
230.05836	1.7
231.02847	0.9
245.08142	35.2
246.08505	2.0
247.06023	2.1
271.06094	1.7
289.07159	100.0
289.16406	11.2
290.07489	7.8
290.10489	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	287.15
Annotation	Crispine C
Peak:m/z	Relative Intensity
58.08892	0.9
59.01250	25.0
61.98694	1.4
71.49601	1.7
73.92747	1.0
79.95612	5.2
88.80761	1.0
89.10336	1.3
93.03313	2.6
95.90762	1.1
96.95891	9.1
111.08040	2.4
114.15749	1.2
120.99593	1.6
124.01535	2.2
125.02340	2.3
139.03914	2.9
139.51286	1.1
151.11189	2.9
165.12767	26.7
166.02654	1.1
169.12247	19.2
170.12640	1.3
181.04977	14.8
181.12309	1.3
183.13828	99.4
184.14186	3.7
199.13321	26.1
209.11761	2.9
213.11336	3.2
227.12825	48.9
228.13165	2.3
241.00276	1.8
244.54845	3.2
245.04111	2.2
245.13913	100.0
246.14240	6.5
256.29803	1.4
287.09869	5.7
287.14987	21.8
287.22073	5.9
288.15240	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	287.0923
Annotation	3'-Deoxyepisappanol
Peak:m/z	Relative Intensity
57.84532	0.2
59.01237	0.5
63.02263	1.0
65.00188	1.4
81.03340	0.4
83.01272	0.4
89.00197	0.5
91.01781	0.6
93.03335	11.8
95.04888	0.4
96.95918	1.2
97.02824	0.9
105.03343	5.5
113.84200	0.2
116.90923	0.3
119.04932	0.6
121.02876	0.5
122.03654	1.3
123.00719	0.3
124.01554	12.2
137.02327	0.5
137.05977	6.2
139.03908	16.7
140.04269	0.5
149.99448	0.4
150.03145	0.3
151.00258	1.6
152.01073	7.1
153.01509	0.3
154.83730	0.2
165.01826	1.8
166.02638	7.9
177.01859	0.5
177.49268	0.3
178.02753	1.2
181.04993	100.0
182.05339	4.2
193.05002	4.0
229.21948	0.4
244.54918	0.4
287.09259	29.3
288.09439	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.35423	0.4
52.45150	0.3
59.01233	1.2
61.98696	0.6
70.02839	0.8
70.14074	0.3
71.09858	0.3
71.45151	0.6
71.45490	0.3
71.53202	0.3
74.05988	2.2
78.02548	0.3
78.95770	1.1
87.50848	0.4
117.06972	0.9
118.04968	1.1
140.82657	0.4
156.75876	0.3
240.23346	3.1
241.23833	0.4
242.21201	1.4
242.45667	0.3
252.97008	0.3
259.58380	0.3
268.22736	1.0
269.90488	0.4
286.23874	100.0
287.16415	0.9
287.24268	7.9
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 chalcone
Peak:m/z	Relative Intensity
57.03318	14.6
59.01243	1.8
63.02250	3.6
65.00187	8.0
69.15633	0.9
71.49519	1.4
79.95612	1.5
81.03330	3.3
83.01244	9.8
93.03320	2.1
96.95883	6.2
107.01273	6.6
107.04940	1.2
109.02799	3.2
111.00755	1.2
112.84528	0.9
113.02315	1.4
121.02831	1.1
123.04375	2.6
124.01544	2.7
125.02335	100.0
126.02659	2.4
130.04022	1.0
131.04929	1.6
133.02855	3.3
134.03604	2.4
135.04382	3.0
137.02306	1.1
151.00278	11.0
152.01064	9.7
153.01843	3.2
157.06430	1.4
159.04396	1.8
159.08417	8.1
159.97527	2.0
165.01753	1.1
169.01331	1.9
171.04274	0.9
172.05174	2.1
173.05980	5.5
177.05484	14.6
178.99791	7.0
197.06004	1.1
199.07451	2.3
201.05527	8.4
203.03351	1.4
215.07115	6.4
219.06535	2.0
226.08948	1.2
241.00093	1.1
241.05107	1.1
243.06548	15.0
244.06935	1.2
244.10124	1.9
245.04105	1.7
259.06094	74.5
260.06482	5.7
269.04410	2.2
287.05579	45.4
287.14923	2.2
288.05960	3.9
288.12610	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	287.0563
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
52.20560	0.6
54.65166	0.5
57.03322	12.7
59.01247	0.6
69.03345	0.6
69.21144	4.5
69.21553	0.9
81.03329	0.6
83.01257	2.7
93.03329	1.4
107.04892	0.7
108.02080	0.9
109.02850	2.4
120.02013	0.7
121.02811	2.8
124.01518	0.9
125.02335	100.0
126.02663	3.0
133.02843	2.0
135.04382	1.1
137.02351	6.4
139.03896	1.2
140.29878	0.5
147.04391	0.8
149.02324	2.8
150.03137	1.1
151.03894	0.9
157.06509	0.7
159.04453	0.9
161.02356	13.1
162.03159	2.8
163.00247	0.9
164.01051	5.0
165.01814	4.4
172.05132	0.6
173.06015	1.3
175.03862	3.6
176.04649	0.8
177.01868	0.9
177.05496	0.9
183.04427	0.8
189.05464	0.5
197.05922	0.7
199.03940	1.0
201.05562	2.7
203.03419	1.7
215.07089	1.6
217.04968	1.6
217.28491	0.5
219.06561	2.6
225.05521	2.1
227.03419	0.6
241.05017	0.6
243.03021	1.2
243.06561	3.3
245.04515	1.2
258.05389	0.7
259.06079	3.1
269.04611	2.8
287.05585	20.9
287.14899	1.8
288.05908	1.4
290.33957	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	285.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25679	0.8
57.03330	1.1
59.01249	100.0
71.01239	0.8
71.49262	1.2
72.02047	1.5
79.95601	1.5
83.04887	0.9
84.02016	1.0
96.95881	5.8
106.05771	0.9
125.13235	0.8
129.91776	0.9
148.05200	7.4
153.12750	4.0
159.27544	0.8
159.97476	1.2
163.07538	4.4
163.11172	3.0
169.12271	1.9
181.12254	57.3
182.12585	3.5
197.11765	2.0
199.13322	94.5
200.13657	5.3
207.10326	1.0
223.13324	3.3
225.11261	12.8
241.00203	5.4
241.09787	1.4
241.14430	23.3
243.12358	19.9
244.12656	1.5
285.04123	3.5
285.07669	2.1
285.13477	7.5
285.20792	1.3
285.27087	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	286.057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47448	6.8
59.01243	16.1
69.28994	8.0
69.29292	73.6
71.01248	44.3
79.54860	8.2
81.03323	8.2
85.02804	8.7
88.03895	45.7
93.03368	18.9
103.56252	6.3
106.14377	7.7
108.02053	16.2
109.02837	26.6
110.03608	24.7
111.04438	11.3
114.01897	13.9
115.00233	60.2
116.47115	8.4
118.02868	8.2
118.27789	6.5
120.04444	26.6
121.02863	15.0
124.03934	10.0
132.02931	100.0
134.02347	37.7
135.03011	8.1
136.03952	35.1
138.05525	11.3
152.03436	76.8
155.06989	9.4
158.00842	12.9
159.92671	7.6
162.05513	14.4
166.69395	7.8
177.98560	8.4
192.06622	19.7
197.01370	7.3
205.24532	7.4
206.04416	7.1
230.93954	7.1
234.03874	7.8
236.05609	93.1
252.05031	16.7
286.05673	26.2
287.15024	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0616
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
53.74095	0.7
59.01252	1.1
59.30557	0.6
69.29342	7.2
77.16528	0.9
87.21826	0.7
108.02056	100.0
109.02885	11.8
133.02922	1.0
135.00766	1.3
152.01060	56.2
153.01855	28.3
154.02187	0.8
171.40376	0.7
284.26791	2.2
285.06171	70.1
285.27310	1.2
286.06470	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	285.0768
Annotation	2',4',6'-Trihydroxy-4-methoxychalcone
Peak:m/z	Relative Intensity
52.56334	0.3
53.59858	0.3
57.03321	16.0
59.01246	1.2
61.98679	0.5
63.02242	0.3
64.32696	0.3
65.00185	0.8
68.26036	0.3
70.50702	0.3
71.49470	0.3
74.74643	0.3
78.95773	1.5
81.03328	7.8
83.01250	4.2
83.04903	0.3
84.35764	0.3
88.29298	0.3
93.03361	0.8
96.95890	0.7
98.17348	0.3
107.03599	0.3
107.32522	0.3
108.02042	0.4
109.02827	0.4
123.00787	0.3
123.04451	0.4
125.02332	100.0
126.02672	2.8
133.06497	2.4
135.03363	0.3
135.04414	0.9
137.02350	1.1
151.00281	0.8
155.08569	0.6
157.06502	1.5
159.04448	0.7
165.99023	0.3
175.07573	2.5
177.01871	0.7
179.03397	4.0
181.06500	0.6
184.05226	0.4
199.07590	2.3
241.08536	0.4
251.94479	0.3
267.19760	0.6
284.26764	3.2
285.04318	1.3
285.07663	21.7
285.17410	0.7
285.20694	9.7
285.27017	1.4
286.08066	2.0
286.20941	0.7
289.44531	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	283.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22454	0.2
58.51850	0.2
59.01258	0.5
69.17481	1.2
69.17902	1.5
72.63302	0.2
79.95605	0.7
89.02327	0.2
96.95889	100.0
97.95835	0.5
106.42936	0.2
109.01044	0.2
127.11163	0.4
155.10660	0.3
157.12260	2.7
194.05000	0.3
203.12833	5.9
234.22568	0.2
283.08575	19.2
283.26419	7.8
284.08829	0.8
284.26880	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	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.89278	0.2
59.01245	0.8
61.98695	0.3
63.02266	0.8
65.00193	0.8
71.49290	0.2
71.49801	0.4
72.90755	0.3
78.47414	0.2
80.81849	0.3
80.82300	0.3
83.01268	1.5
91.01736	0.3
93.03329	3.3
95.01254	0.3
96.95886	0.6
107.01261	1.8
108.02048	0.9
109.02823	1.2
117.03352	1.0
119.01274	0.3
120.78761	0.2
121.02856	0.3
123.00762	0.4
123.04465	0.5
131.04927	0.3
133.02846	0.4
135.00755	0.8
135.88347	0.3
136.01529	0.3
137.02316	0.6
137.10674	0.3
143.04945	1.2
145.02823	1.0
145.06505	0.3
148.05202	0.7
151.00224	1.5
154.04112	0.9
155.04953	0.4
157.02873	0.3
157.06468	0.8
158.03641	0.3
159.04402	1.1
161.02371	0.7
163.00279	0.7
164.01073	0.5
165.01895	0.3
167.04921	0.7
169.01341	0.5
169.02838	0.3
169.06473	1.1
171.04395	1.0
173.02292	0.6
175.03935	0.3
183.04510	0.3
184.05209	0.3
185.05991	2.0
187.03894	1.7
189.05446	0.4
195.04311	0.3
195.14656	0.3
199.03935	0.5
201.05521	0.4
211.03905	1.0
211.13293	1.0
213.05469	0.9
214.02650	0.9
215.03342	0.5
227.03487	0.8
229.05014	1.6
239.03426	1.8
241.00227	0.3
241.05064	0.5
243.02956	0.4
255.02951	0.6
256.03656	0.4
257.04456	1.2
267.02869	0.4
284.26794	4.4
285.04028	100.0
285.20636	0.9
285.27045	1.0
286.04388	7.5
286.07483	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	282.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60631	0.3
59.01249	1.3
59.27568	0.3
61.98716	0.5
62.95045	0.3
63.19950	0.2
63.54287	0.3
69.82105	0.6
69.82515	1.1
71.01241	0.3
76.89967	0.3
79.95646	0.3
81.79517	0.3
82.55431	0.3
89.02332	0.4
93.03349	0.8
96.95882	2.6
100.13541	0.3
101.02317	0.3
106.04108	1.1
117.03326	2.0
117.78438	0.3
119.04915	100.0
120.04427	1.7
120.05261	3.3
121.02845	0.6
123.04415	0.3
125.62602	0.3
131.04895	0.8
131.88329	0.3
132.05702	7.8
133.05212	0.3
134.06010	1.5
136.07579	6.8
137.07854	0.3
144.04460	0.7
145.02852	8.5
145.03943	0.6
158.19930	0.3
162.05516	15.5
163.05904	0.6
174.05518	3.4
176.07051	0.4
179.10541	0.5
189.97571	0.4
240.10275	1.2
267.71524	0.3
282.11343	90.7
283.01379	0.9
283.11703	8.2
283.26401	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	279.1966
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
54.78333	0.5
59.01253	13.3
59.39479	0.6
61.98683	1.5
71.01247	1.5
73.02833	0.8
73.74397	0.5
75.76027	0.6
77.25063	0.5
78.95761	1.8
85.02828	0.7
96.95889	0.9
99.04366	0.6
101.02291	1.4
115.33457	0.6
116.80251	0.5
189.92918	0.7
191.37904	0.7
219.02901	1.3
261.14883	0.9
279.19656	100.0
279.22980	5.8
280.16562	0.8
280.19989	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.63446	0.2
58.66545	0.2
59.01245	1.5
59.38775	0.2
61.53459	0.2
65.61965	0.2
66.38341	0.2
66.98895	0.2
70.64836	0.4
71.01252	0.4
71.96223	0.2
73.02817	0.3
96.95907	0.4
101.02282	0.3
104.22393	0.2
117.08572	0.2
127.10943	0.2
163.00323	0.2
177.07570	0.2
178.74123	0.2
222.36340	0.2
261.22153	0.7
279.23273	100.0
280.23618	10.3
280.26837	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.63589	0.3
51.75388	0.3
54.03823	0.2
59.01239	0.3
62.54670	0.3
71.07462	0.6
73.05345	0.3
90.55996	0.3
92.29938	0.3
146.19235	0.3
193.51190	0.3
213.37825	0.3
261.22333	0.4
279.23288	100.0
280.23636	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	281.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32293	0.3
54.50495	0.3
59.01239	1.8
61.98705	0.3
68.60106	0.3
71.01243	0.4
71.48806	0.5
72.99152	1.6
79.95608	0.8
96.95882	100.0
101.02326	0.6
101.06622	0.3
155.10664	0.7
163.03900	0.6
183.10196	2.2
201.11241	6.5
281.06973	20.4
281.24780	0.6
282.07294	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	281.1757
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
52.08777	0.8
54.21227	0.8
57.03313	2.9
58.43720	0.8
59.01250	100.0
60.01579	1.1
61.98685	1.2
62.39479	1.0
69.03325	1.0
70.55230	2.5
70.55585	1.0
71.01242	3.9
71.04919	0.8
73.02822	1.2
83.04886	1.1
83.79095	0.9
85.02814	2.7
86.57138	0.8
89.02320	3.1
93.03373	1.0
96.95877	3.2
97.06480	1.7
101.02318	3.5
104.57751	0.8
111.04395	1.5
111.08028	2.9
113.02313	1.4
114.81059	1.0
116.92680	1.4
119.04950	1.0
119.06964	1.2
121.10117	11.8
123.08068	1.2
125.05965	1.2
125.09597	2.9
132.09201	1.1
137.09639	2.6
143.07039	7.1
144.07428	0.9
147.11711	1.8
155.07065	2.4
157.08641	1.8
159.06509	8.5
161.04475	1.6
165.12784	1.7
169.08589	2.7
185.08127	1.5
201.16415	1.2
219.17519	1.9
237.14993	1.5
237.18465	1.5
245.15501	1.0
263.16492	13.0
281.12686	1.2
281.14417	1.3
281.17560	21.6
281.21140	3.5
281.24551	7.6
282.17822	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82973	1.0
59.01239	2.6
61.98695	1.0
63.73799	1.0
64.15834	1.0
71.01254	23.0
96.95875	1.4
98.20586	2.1
115.00243	10.3
119.04909	64.9
120.05235	2.1
133.01343	2.4
141.97470	0.9
163.03915	100.0
164.04233	4.1
176.07080	1.0
249.07864	1.2
279.23248	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	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67725	1.8
50.95713	1.7
55.58777	1.8
55.96002	2.0
59.01242	6.4
60.46833	1.6
69.16528	20.2
71.01251	21.2
72.99181	3.1
84.71079	2.0
85.02843	2.8
101.02315	2.5
109.01591	2.7
115.00264	36.2
117.61841	1.7
119.04913	31.2
131.54558	1.7
133.01320	100.0
147.04373	2.0
160.98491	1.9
163.03920	35.9
164.07155	2.6
219.02968	2.5
252.08774	1.9
279.23230	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	279.1237
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
52.98969	0.8
52.99221	0.8
57.03319	12.7
59.01257	1.1
61.61500	0.8
61.98693	0.9
64.94433	0.7
69.03326	1.2
69.71160	5.0
81.03310	0.7
83.04894	2.5
93.07008	1.5
94.04121	1.1
95.04899	3.1
97.02827	8.4
97.06475	3.2
107.04939	1.4
109.02831	6.1
109.06490	6.7
111.04391	4.9
119.08562	3.2
121.06487	6.2
122.03622	15.2
123.04416	3.1
123.08039	1.3
124.05191	18.3
125.06001	6.6
134.05554	0.8
135.04460	1.4
136.05191	0.9
137.05983	12.3
137.09627	1.5
139.07545	100.0
140.07872	4.2
146.56686	0.8
147.08083	4.6
148.05156	1.0
149.06001	1.2
161.02301	0.9
163.07521	1.4
163.11176	1.5
167.07039	1.0
168.07832	25.7
169.08525	2.8
169.10034	0.9
171.08044	3.1
175.11145	1.8
177.12730	2.2
185.09695	0.8
187.11205	20.4
188.11505	1.6
189.09106	1.6
190.09906	4.7
205.12274	36.5
206.12569	1.3
217.12277	2.2
229.95164	0.8
235.13306	4.1
249.11426	1.9
279.09311	1.8
279.12317	8.3
279.22968	1.3
289.61411	0.8
304.50803	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.3
71.01259	0.4
71.29919	0.5
86.04897	0.2
89.37359	0.2
127.07540	0.4
127.94683	0.2
179.75426	0.2
183.67451	0.2
233.22754	0.6
239.68796	0.2
239.75122	0.3
259.20734	0.6
262.12027	0.3
275.20160	0.3
277.21707	100.0
278.22034	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.61036	0.4
59.01258	1.0
69.54259	1.9
69.54681	1.5
74.40185	0.4
83.08506	0.5
105.93913	0.4
127.07576	0.5
174.44286	0.4
233.22627	0.9
277.21710	100.0
278.22037	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62411	1.7
69.68819	12.9
71.01254	15.2
73.34542	2.0
78.51893	2.0
88.03902	2.8
89.93642	1.7
93.03331	9.0
98.20544	2.9
101.02286	2.7
114.01854	30.4
115.00246	28.1
117.03365	3.7
119.04917	100.0
120.05205	5.1
121.06472	2.8
123.86921	2.2
132.02928	19.9
145.02850	4.5
146.06000	2.8
147.04387	6.2
162.05513	25.6
163.03917	19.9
190.08723	2.7
192.86273	2.0
202.12000	2.3
216.06627	4.3
234.07690	4.3
245.41837	2.1
269.16589	2.2
277.21762	2.6
278.06689	52.5
278.22153	4.5
279.06952	3.1
279.23267	3.5
289.97879	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	275.0216
Annotation	GW 9662
Peak:m/z	Relative Intensity
54.50560	0.3
57.01321	0.3
61.00889	5.5
62.18506	0.3
71.01249	23.0
96.99191	0.7
97.00883	0.7
108.52088	0.4
115.00253	100.0
116.00588	2.6
133.01320	0.5
148.49602	0.3
158.01291	0.6
159.00963	62.9
160.01323	1.3
202.37001	0.4
231.77324	0.4
257.01144	0.6
275.02148	72.7
276.02509	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	277.1558
Annotation	Leu Phe
Peak:m/z	Relative Intensity
53.97567	0.6
54.20004	0.6
57.17903	0.5
59.01231	0.9
66.89355	0.6
70.78987	0.6
71.02353	0.8
71.49131	0.6
71.49553	1.2
72.00774	1.3
75.00748	0.7
82.06501	1.1
84.04415	0.9
88.22336	0.7
91.05410	3.4
91.32162	0.6
92.89705	0.7
96.95913	0.7
106.61675	0.7
111.67046	0.6
112.07561	4.2
115.63061	0.6
129.10229	66.5
130.08635	8.3
130.10541	1.6
135.04451	1.0
141.10269	3.3
147.04416	20.1
148.04726	0.8
164.07076	15.7
165.07401	0.8
216.13867	0.7
233.16541	5.6
277.15567	100.0
277.21716	6.6
278.15921	7.9
278.22058	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.7
63.25238	0.2
71.01250	0.4
71.21172	0.4
83.04931	0.2
83.66232	0.2
86.22395	0.2
96.95875	0.2
109.84856	0.2
127.07567	0.3
136.59531	0.2
195.19220	0.2
205.19609	0.3
233.22652	0.4
259.20752	0.4
275.20184	0.4
277.21725	100.0
278.22079	8.7
283.33340	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.2
59.01254	1.3
71.01259	0.4
98.20592	0.3
107.51097	0.2
127.07482	0.4
205.19557	0.2
217.78535	0.2
233.22696	0.6
259.20654	0.6
275.20139	0.5
277.21704	100.0
278.22043	8.6
282.15570	0.2
285.42468	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01754	0.4
55.61596	0.3
59.01260	0.3
67.38742	0.3
70.78300	0.6
71.01226	0.5
72.99151	0.4
74.18076	0.3
78.52548	0.3
83.04925	0.4
85.90530	0.3
91.54283	0.3
108.02026	0.6
109.02846	0.7
119.04954	0.5
125.02338	1.1
129.53380	0.3
130.52031	0.3
151.00182	0.3
151.49791	0.3
157.85007	0.3
164.75772	0.3
181.56430	0.3
197.19066	1.0
221.19032	1.1
223.20595	4.8
224.20863	0.4
225.22185	66.8
226.22507	5.9
226.24599	0.6
228.07164	0.4
253.21657	1.5
269.20981	0.4
271.22769	100.0
272.23129	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	273.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90659	0.5
57.03324	2.5
58.45870	0.5
59.01246	19.0
60.19844	0.4
63.68868	0.5
69.03323	0.9
70.79113	0.5
71.01254	13.7
71.04897	7.0
71.49550	1.0
79.01224	0.4
80.69834	0.6
81.03326	0.8
83.04896	5.3
85.02821	0.7
93.03351	0.5
94.02870	1.1
95.04903	0.6
99.04379	0.6
99.08031	9.3
101.05954	2.0
106.52681	0.5
108.66750	0.5
109.06471	3.2
110.03580	0.6
111.04395	2.1
111.08042	13.6
111.08807	0.8
113.09581	0.8
125.05920	0.5
127.07538	3.0
129.05397	0.7
129.09106	9.3
137.05977	2.7
139.11191	2.8
141.09132	1.2
143.10789	0.5
155.07037	21.0
155.10666	1.0
156.07425	0.9
165.12769	2.7
173.08067	3.7
177.12788	0.7
181.12361	1.0
181.35591	0.5
193.15947	1.0
195.13936	0.5
197.14841	0.4
201.14876	4.8
219.13687	0.6
237.14946	5.9
249.22607	0.6
255.15926	7.2
273.17062	100.0
274.17407	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.0
58.00470	7.9
59.00958	1.6
59.01249	23.0
59.28215	1.0
61.98682	1.7
62.28614	1.0
64.58006	1.1
69.03314	3.3
69.36954	10.2
70.10287	1.1
71.01248	3.0
72.64859	1.2
72.99154	1.4
73.02811	3.5
78.01183	1.2
80.02553	1.3
81.03305	1.7
83.01241	1.4
83.04913	2.6
84.02032	2.3
93.03330	2.4
96.95924	2.5
97.06466	13.2
98.20633	2.3
99.08032	1.6
104.77760	1.3
107.13132	1.1
108.02048	4.0
109.02825	3.6
109.06484	6.1
111.04408	1.4
111.08042	43.2
112.08358	1.4
113.05974	9.0
119.04928	3.3
121.06490	5.9
123.04512	1.5
124.20164	1.3
125.02323	4.5
125.05930	1.3
125.09402	1.1
127.07562	5.8
135.04382	1.7
135.08060	14.3
137.05986	6.9
139.07559	17.3
141.05498	11.3
143.04883	4.6
143.07007	4.0
151.00241	2.0
155.07042	31.8
156.07347	1.6
167.10617	1.8
173.08182	1.6
173.13225	8.5
191.14384	2.9
227.07162	2.3
229.10791	2.5
241.05147	3.0
253.14445	7.2
271.06155	2.6
271.15503	100.0
271.22400	6.4
272.15857	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	271.2279
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.12824	0.2
56.98006	0.2
59.01231	0.3
71.21514	0.5
73.35935	0.2
107.01209	0.3
108.02078	0.8
109.02824	0.5
119.04919	0.4
125.02349	1.5
151.00293	0.3
223.20538	0.4
225.22217	4.5
226.22481	0.6
248.50906	0.2
253.21701	1.7
269.21179	0.7
271.06049	0.6
271.22778	100.0
272.23132	9.4
288.35638	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69034	0.6
57.03322	3.5
58.00454	0.8
59.00955	1.2
59.01246	21.8
69.03317	2.2
71.01249	14.1
71.04894	5.0
71.49294	1.0
73.02798	0.6
81.03326	2.1
83.04886	5.0
84.02016	1.6
85.02831	1.9
85.06470	1.2
87.04374	0.8
95.01282	0.7
95.04880	1.1
97.02773	0.7
97.06449	3.3
99.08018	3.7
108.02032	1.1
109.02808	1.1
109.06467	4.7
110.03607	0.7
111.04402	10.6
111.08028	14.8
115.03890	6.4
119.04888	0.7
121.06466	2.9
121.10085	2.0
123.04382	1.5
125.02316	1.7
127.07534	2.7
129.05487	1.8
129.09134	0.8
137.05974	2.3
137.09601	0.8
139.07539	5.1
139.15836	0.7
141.05492	0.9
153.05396	0.7
155.07039	23.2
155.10675	1.8
156.07388	0.8
163.11195	1.0
165.03596	0.8
171.10217	0.7
173.08122	3.6
181.12267	2.6
183.06450	0.9
191.14296	2.2
230.13933	1.6
235.13354	4.9
241.05180	0.9
253.14384	7.8
271.02502	1.2
271.15491	100.0
271.22821	2.3
272.15845	8.5
279.86948	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	271.0976
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
59.01252	4.5
64.30904	0.5
65.05006	0.4
71.01266	0.7
71.49704	0.8
78.42995	0.6
83.04887	0.6
85.02828	1.2
96.95886	1.4
108.02086	1.1
109.02834	1.8
115.03836	0.6
125.02349	3.5
128.03418	0.8
135.04453	0.5
141.07007	0.6
167.04910	1.8
169.06424	1.2
171.04376	1.4
185.06015	10.9
186.06268	0.8
193.12202	0.6
195.04457	9.1
195.39233	0.6
196.05157	2.6
197.06018	2.0
199.03911	1.1
200.39973	0.5
207.75198	0.5
211.03957	2.2
212.04671	5.0
213.05516	40.7
214.05894	3.2
223.04004	5.8
224.04727	6.9
225.16229	0.6
229.08636	0.6
239.03571	1.3
240.04247	2.3
241.05023	100.0
242.05368	6.1
244.03409	0.6
256.07376	63.4
257.07718	4.9
271.06628	1.4
271.09744	46.3
271.15613	3.1
271.19299	1.2
271.22729	3.8
272.10147	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	269.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04510	0.4
58.02830	1.4
59.01237	0.8
71.04906	0.4
75.73495	0.4
78.81309	0.4
80.04912	0.4
83.04911	0.4
87.00752	0.5
96.95889	1.4
97.06422	0.4
98.02370	0.8
99.08113	0.5
101.22918	0.4
114.05494	100.0
115.05835	2.0
126.09146	5.3
137.02357	0.6
154.08641	26.9
155.08966	1.2
155.11801	0.8
165.00060	2.4
166.00877	3.5
181.03220	3.4
210.04491	0.4
225.16052	11.4
226.16429	0.7
227.13936	0.5
229.93298	0.4
269.04651	0.9
269.08072	0.7
269.10477	0.8
269.15073	20.9
269.21219	4.4
269.24350	0.5
270.15433	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	271.0611
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
53.77438	0.3
59.01252	0.8
63.02268	11.9
65.00193	20.2
66.00513	0.4
69.32988	2.7
71.01280	0.3
79.68176	0.3
83.01254	14.1
83.04914	0.5
85.02811	0.6
93.03333	16.0
94.03640	0.3
96.95886	0.5
107.01269	30.0
108.02057	1.1
108.99232	0.3
109.02846	2.0
115.03867	0.5
117.03331	0.7
119.04914	84.7
120.05233	3.5
121.02850	1.4
125.02341	3.2
131.61362	0.3
133.02815	0.5
135.98830	0.3
136.01601	0.5
137.02345	0.5
143.04912	1.7
145.02852	2.0
151.00270	75.9
151.38947	0.3
152.00568	3.0
161.05980	2.2
165.01839	4.5
169.01329	5.6
177.00287	0.6
177.01852	10.9
185.06033	1.8
187.03920	4.2
201.74568	0.3
209.15443	0.7
227.07080	1.3
229.05081	0.9
235.13284	0.7
241.05042	0.4
251.47960	0.3
253.05103	0.6
253.14490	1.4
271.06107	100.0
271.15482	2.3
271.22644	1.7
272.06433	6.7
272.09122	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	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66829	0.7
54.92140	0.7
55.01756	8.6
57.03325	6.1
58.00456	3.1
59.01249	43.4
68.99695	1.1
69.03309	1.6
71.01251	100.0
71.49089	1.1
72.01593	1.7
72.99170	5.2
73.02815	38.7
74.03162	0.9
75.00738	3.3
76.99001	0.7
79.28351	0.8
81.03340	0.9
83.01253	18.4
85.02821	54.4
85.47795	0.6
85.99966	1.3
86.03175	0.8
87.00739	4.4
89.02308	4.7
93.60812	0.7
95.01249	7.9
96.95896	0.7
97.02841	2.7
99.00755	16.1
101.02318	82.6
102.02675	1.1
107.04906	1.9
111.00748	0.8
113.02327	44.9
114.02658	1.4
125.02323	2.7
129.01859	2.3
135.04482	1.2
139.00369	1.0
143.03400	2.5
159.02888	8.4
161.04459	27.4
189.80769	0.7
205.03511	1.6
269.04556	2.2
269.07892	0.8
269.10455	7.3
269.13400	1.1
269.21265	7.8
269.24808	2.1
270.10507	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	267.066
Annotation	Dorstegin
Peak:m/z	Relative Intensity
51.04733	1.1
51.62314	1.0
53.00486	1.0
59.01249	11.4
69.60534	2.0
69.60944	5.9
71.01262	10.5
73.02816	3.0
75.66509	1.0
83.01261	1.6
85.02820	4.6
89.02331	3.6
99.04407	1.4
100.81908	1.2
101.02330	8.8
105.05483	1.2
113.02343	5.6
119.03368	1.6
121.02866	1.7
122.51268	1.1
161.04457	3.6
197.06017	100.0
198.06334	7.3
223.07481	6.0
223.20570	1.3
229.82829	1.2
259.22467	1.3
267.06580	30.4
267.10916	5.0
267.15976	1.9
267.19516	3.6
268.06866	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	267.0908
Annotation	moclobemide
Peak:m/z	Relative Intensity
50.93257	0.3
51.75466	0.3
56.07241	0.3
57.03318	0.3
59.01248	2.3
60.09534	0.3
61.98693	0.4
70.79383	0.3
71.01247	1.9
71.23529	0.2
71.49744	0.4
73.02808	0.7
75.00739	0.3
79.95609	0.6
85.02807	1.0
89.02296	0.8
96.95888	100.0
101.02333	1.6
105.05437	0.3
113.02302	0.9
121.02843	0.4
139.96101	0.3
141.12753	4.0
142.13104	0.3
144.66426	0.3
149.06036	0.3
159.97484	0.4
161.04468	0.9
171.10037	0.3
187.13324	6.0
206.67488	0.3
212.37038	0.3
223.13376	2.1
225.04333	0.6
249.14880	0.4
249.17403	0.3
252.04210	0.4
267.09021	15.3
267.15967	0.9
267.19421	0.3
267.23294	0.4
268.09274	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	269.0817
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
59.01240	1.3
65.00195	10.1
67.65910	0.6
68.99695	4.2
70.62734	1.7
71.01256	1.1
71.42713	0.6
73.02802	0.5
89.00201	2.0
91.01793	1.8
93.03321	0.7
93.88540	0.6
94.00500	0.8
97.02831	6.4
98.03178	0.6
102.79037	0.5
104.09874	0.6
105.72652	0.6
105.92110	0.6
109.99976	4.3
117.03325	1.6
121.02843	2.6
124.01542	2.3
139.03903	4.1
149.02301	1.7
149.99467	2.7
152.68166	0.6
156.05708	0.9
163.00281	1.2
165.01834	8.5
166.02246	0.7
169.06506	1.8
171.06638	0.6
177.01826	6.8
183.02887	0.9
184.05190	1.2
186.95476	2.7
197.05948	0.9
198.06740	1.5
210.01733	0.7
225.05492	7.0
225.22127	1.2
226.06285	16.1
227.06958	3.7
253.05034	9.8
254.05804	12.3
255.06241	0.7
269.04892	3.9
269.08163	100.0
269.17709	1.7
269.21188	13.1
269.24796	4.7
270.08542	9.0
270.21509	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	265.1809
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
59.01249	2.6
63.08808	0.4
69.78665	2.3
70.38869	0.4
71.01254	1.3
73.49583	0.4
73.52330	0.4
78.95779	2.1
81.03327	1.6
81.80984	0.4
82.54433	0.5
85.02827	0.8
95.04910	0.7
96.95876	1.1
97.06474	3.4
99.08091	0.5
101.02301	0.9
103.79736	0.5
113.09589	1.1
116.33224	0.5
121.10117	11.3
122.10436	0.5
125.05995	0.7
134.04637	0.9
135.04422	0.8
143.07033	17.7
144.07375	0.6
149.09593	2.2
151.11166	1.7
153.12715	1.6
157.08621	0.7
165.12738	1.1
167.10712	1.1
177.05545	0.7
191.14299	0.6
195.10204	0.7
197.11771	1.5
198.07112	0.4
203.18068	2.5
219.17470	0.6
221.19086	3.7
247.17017	13.5
248.17365	1.3
265.18076	100.0
266.18420	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	265.2172
Annotation	Hydroprene
Peak:m/z	Relative Intensity
59.01257	1.3
59.30027	0.8
71.50314	0.9
85.02801	1.0
96.95889	24.9
96.96512	1.3
101.02341	1.1
105.18908	0.9
135.04393	0.9
160.03833	0.7
173.17995	0.7
177.05563	0.9
265.14807	19.0
265.21713	100.0
266.15048	1.0
266.22052	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.067
Annotation	ICM 0201
Peak:m/z	Relative Intensity
53.48992	1.0
57.25774	0.8
59.01252	6.1
60.38384	0.8
63.39426	0.8
65.03807	0.8
70.14731	3.7
71.01252	1.9
75.08170	0.8
84.04420	16.2
85.02808	1.4
89.02286	0.8
91.01764	2.3
93.03336	100.0
94.03670	3.5
96.37222	0.8
96.95898	1.9
102.05493	22.1
113.61326	0.7
118.02876	25.1
121.02834	4.0
122.90978	0.7
128.03430	35.5
128.04384	1.8
133.06502	1.4
135.04422	0.9
136.03943	80.0
137.02344	46.2
137.04237	3.7
138.02660	1.1
146.04492	15.8
147.04535	1.1
149.06001	1.1
150.05498	1.5
160.07587	9.2
162.05515	9.9
172.57961	0.9
176.07127	1.2
178.07069	1.6
178.08652	34.3
179.09026	1.7
191.70802	0.9
204.06598	16.7
222.07669	36.7
223.07961	2.9
248.05579	2.5
263.60318	0.9
266.06689	91.4
267.06714	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	265.0717
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
50.03171	0.3
55.19485	0.3
59.01254	1.2
65.00191	4.4
70.94113	0.9
81.03352	0.3
89.00198	1.7
91.01772	1.0
94.23609	0.4
95.01274	0.6
97.02840	3.9
107.91905	0.3
108.02035	1.3
109.02856	0.7
112.35497	0.4
114.19443	0.4
121.02843	1.8
123.00761	0.5
123.04410	3.7
124.01546	3.0
135.04417	0.6
136.01521	0.7
136.05136	0.4
137.02307	0.9
138.03117	1.8
139.00294	0.4
139.03912	5.8
149.99475	1.3
150.03146	0.4
151.03917	0.6
152.01025	0.7
160.05144	0.8
165.01840	17.3
165.05475	0.5
166.02594	2.2
177.01857	3.3
183.02829	0.4
187.06432	0.4
188.04697	2.2
190.02582	0.8
191.03419	44.8
192.03703	2.4
193.05000	1.0
203.07065	1.6
205.05031	3.6
206.05768	4.6
221.08139	100.0
222.08510	6.6
238.04828	0.4
265.07089	4.7
265.09534	0.6
265.14594	0.5
266.07486	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	265.1807
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
57.03325	6.0
59.01249	6.7
61.79525	0.8
65.11032	0.7
65.13194	0.8
65.26813	0.9
69.03334	1.0
71.01247	2.7
71.49686	1.1
73.02824	0.9
76.22000	0.8
83.04907	0.9
85.02803	1.5
85.32977	0.8
89.02304	1.1
95.01241	0.9
95.04902	2.8
96.95916	4.5
97.06464	18.4
101.02319	1.5
108.51565	0.8
113.02405	0.8
113.09615	9.0
116.84671	0.8
134.04631	1.8
135.04404	2.2
137.02328	1.1
139.07518	2.4
149.09650	4.3
157.08609	11.7
157.09808	1.5
165.23431	0.8
167.10844	1.2
169.08563	4.2
188.91927	0.8
196.62241	0.8
221.19000	1.6
234.51974	0.9
247.16968	4.2
265.14972	4.7
265.18066	100.0
266.18417	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.03205	0.3
54.34721	0.4
59.01245	2.9
69.81699	2.1
71.01250	0.9
71.05721	0.3
71.72059	0.3
74.54125	0.3
98.19839	0.4
125.44613	0.4
127.07527	0.4
159.70242	0.4
205.41199	0.4
245.19067	0.7
261.18719	0.5
263.20145	100.0
264.20499	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99474	4.2
59.01254	6.1
61.98667	0.4
67.15826	0.4
68.06947	0.4
69.03336	0.5
71.49418	0.6
79.95625	1.2
80.96408	0.4
87.00750	4.1
87.02598	2.7
88.85509	0.4
89.15834	0.4
89.19668	0.4
92.39137	0.5
95.95105	32.7
96.95884	16.1
97.83564	0.4
127.97012	0.4
131.03510	0.6
131.05247	2.2
133.06825	100.0
134.07185	2.8
135.04417	1.4
161.02351	1.6
163.07628	0.4
164.01369	2.6
165.09131	0.5
179.03448	1.2
183.10211	3.7
193.35344	0.4
196.00403	0.7
203.01883	0.7
203.07411	5.3
211.48085	0.4
211.66791	0.5
219.06966	1.4
221.08490	15.6
222.08900	0.7
222.50723	0.4
263.05939	32.3
263.09430	2.2
264.06213	2.8
264.15717	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	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
55.16210	2.0
57.03299	4.3
59.01243	8.6
69.79015	4.3
69.79422	8.5
71.01247	7.6
74.94753	2.2
79.05424	2.4
81.03307	1.9
82.99948	1.8
83.04904	6.1
85.02798	2.4
86.03275	2.1
96.95889	4.2
97.02837	10.3
98.20541	3.3
105.06990	1.9
105.28244	2.0
107.04892	3.4
108.05688	6.7
109.02836	10.3
109.06487	6.5
111.04389	18.4
113.05968	9.8
119.08556	4.7
121.06481	4.4
122.03648	16.3
123.08045	8.2
125.05976	20.7
132.56435	2.4
135.07994	3.9
136.05182	21.2
137.05937	9.1
138.06775	27.0
139.07555	42.0
148.05209	13.8
149.05977	4.5
151.07558	83.2
152.04707	11.0
152.08345	39.1
153.09135	14.2
159.11736	4.3
161.09636	6.4
163.07535	17.4
166.16855	1.9
167.07063	4.9
170.05728	3.9
171.08034	2.7
175.07541	1.8
176.32368	2.0
185.09615	3.2
186.10461	3.3
188.08395	2.3
189.01785	2.2
189.09096	8.0
201.12814	33.7
202.12997	2.0
203.10718	22.4
204.11488	77.2
205.11775	5.1
211.07657	2.3
219.13853	100.0
220.14194	8.3
263.12796	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29020	0.6
59.01252	100.0
60.01597	1.2
97.96555	0.6
104.56026	0.6
121.11598	0.7
132.67749	0.8
151.04169	0.7
161.39572	0.8
229.25005	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76347	1.1
56.93078	1.3
59.01250	100.0
65.88567	1.0
69.37051	10.2
71.01258	2.1
72.07330	1.0
73.02826	2.3
80.89422	1.1
85.02818	2.9
101.02324	1.8
113.02356	3.1
121.87887	1.2
147.07997	1.2
149.02409	1.1
156.73131	1.2
180.13847	1.1
181.12167	2.3
191.17281	1.1
195.43948	1.2
207.91467	1.3
219.13802	1.2
263.09314	2.6
263.12817	2.9
263.16495	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	262.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06801	0.3
59.01239	0.4
59.43620	0.3
60.34574	0.3
65.31275	0.2
84.04429	1.1
87.02608	2.6
98.19782	0.6
115.05777	0.3
131.05281	2.0
133.06827	100.0
134.07187	2.8
144.83977	0.3
161.23175	0.3
175.99094	0.3
185.20541	0.3
211.76775	0.3
229.17842	0.3
262.11166	8.3
263.11606	0.6
276.14111	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	263.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.2
69.66854	2.1
71.01246	0.8
79.95598	3.0
80.96374	0.7
84.10616	0.3
85.02846	0.5
95.95103	100.0
96.95885	54.2
97.02846	0.4
101.02316	0.6
113.02356	0.4
121.02845	1.2
121.10111	0.7
122.60769	0.4
163.00563	0.4
164.01392	8.0
167.05745	1.1
183.10188	5.1
196.00404	1.7
210.89905	0.4
219.06917	6.1
219.13826	0.8
245.04851	1.2
260.80676	0.3
263.05923	96.9
264.06235	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	263.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.2
62.80676	0.6
65.39126	0.6
66.06287	0.5
69.03341	3.2
70.09129	0.6
71.01253	1.2
73.02834	0.7
79.95594	3.6
83.04922	0.7
85.02830	1.0
87.00800	0.6
95.95103	100.0
96.95889	43.9
98.19810	1.8
101.02337	0.8
107.04938	0.6
113.03403	0.6
124.46484	0.6
133.02834	3.4
133.05809	0.8
133.06822	15.4
135.04430	7.0
161.02391	5.9
162.02757	0.9
163.00604	0.7
164.01404	8.6
175.67242	0.5
179.03410	4.2
183.08673	0.8
183.10204	11.2
196.00311	1.6
203.01884	1.9
203.07451	0.9
219.06909	3.6
221.08447	1.5
224.76541	0.6
245.04842	1.3
263.05920	87.3
264.06271	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	261.1132
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
59.01248	2.1
61.98715	3.2
71.50234	2.0
78.44254	1.5
91.48631	1.6
106.04115	1.8
106.57623	1.4
106.59172	1.6
109.02844	1.7
109.92383	1.5
115.91950	2.5
116.92752	2.7
121.02845	7.8
125.09618	5.1
133.02863	22.1
134.02660	3.2
134.03630	48.5
135.04411	10.3
137.02341	48.3
137.80711	1.6
138.02708	2.1
139.03946	14.0
150.03091	4.9
159.96759	1.4
160.08907	1.8
161.02393	3.6
165.01747	2.0
174.06836	2.5
174.93346	2.4
178.02632	21.3
179.03404	18.1
180.80597	1.7
187.09711	2.9
197.90202	7.1
214.92833	3.9
235.16995	8.5
261.11298	100.0
261.22290	12.5
262.11609	11.2
273.98547	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	261.1343
Annotation	(Z)-3-Hexenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.87973	1.6
55.01750	7.4
57.03321	8.4
58.00465	3.4
58.33960	1.5
59.01253	60.1
71.01254	100.0
71.50076	3.2
72.46871	1.7
72.99184	10.4
73.02818	33.5
74.02334	2.7
75.00743	3.5
83.01256	20.4
83.91256	1.5
85.02821	49.8
87.00751	3.6
89.02331	14.5
89.71992	1.8
95.01269	6.5
96.95891	2.6
97.02806	3.1
99.00765	12.9
99.08030	4.7
100.16051	1.7
101.02330	78.1
102.02686	2.0
109.85028	1.8
113.02334	35.0
119.03387	6.6
125.02354	1.9
125.09608	4.0
127.11070	1.6
159.02887	5.9
161.04494	14.2
171.10182	26.2
174.46361	1.7
181.12253	7.0
185.11685	1.9
187.09546	2.1
197.11729	11.1
201.11287	3.1
215.25836	1.8
243.12387	19.0
244.12689	1.9
261.07663	3.8
261.13422	46.3
261.22202	4.6
262.13770	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	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	6.4
59.01248	6.4
69.03338	1.6
70.68690	3.0
70.69063	2.6
71.01236	2.0
71.04880	2.2
78.95775	2.3
83.04906	10.3
85.06458	26.6
96.95869	1.4
96.96787	2.1
97.06447	7.0
99.08053	1.7
101.05973	3.9
111.04404	4.0
113.05964	13.6
115.03896	2.7
115.06738	2.4
115.07532	32.7
115.08339	2.4
129.05472	4.8
141.05519	6.7
148.49452	1.3
151.11215	1.9
159.06538	3.3
179.10724	3.6
197.11719	8.8
213.11287	3.1
215.12830	100.0
216.13150	7.0
241.10788	3.2
259.06042	2.5
259.11871	45.1
260.09631	1.5
260.12335	3.4
280.97818	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	261.088
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
59.01237	6.6
70.02856	9.2
71.49019	3.2
71.49376	2.4
72.04409	5.1
74.02341	100.0
95.18911	2.0
98.02347	22.9
101.05894	2.0
116.03424	68.4
116.04236	3.5
122.48695	1.8
128.03406	8.8
129.64178	2.0
132.04434	31.9
135.18037	1.9
136.22333	2.0
144.04434	6.0
158.05927	3.3
201.06647	14.2
219.07770	2.5
261.08807	30.1
261.12839	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	261.1132
Annotation	Lagopodin B
Peak:m/z	Relative Intensity
51.04930	0.7
52.80079	0.8
56.18183	1.0
59.01253	0.9
71.01264	1.1
71.50021	2.0
95.33276	0.8
95.92430	0.7
100.52308	0.9
107.04915	1.6
115.91992	1.0
116.97730	0.9
118.68644	0.7
121.31690	0.8
125.09597	2.9
133.02850	16.8
134.03664	7.4
135.04422	96.7
136.04767	4.4
137.02345	3.6
139.03897	1.5
148.05139	1.2
150.05460	1.1
161.02365	28.0
162.02728	1.6
178.02766	0.9
179.03427	49.0
180.03783	2.6
187.09673	2.4
197.90158	3.2
238.44945	0.9
261.11301	100.0
261.22180	8.6
262.11642	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	257.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	41.0
61.98716	1.0
69.59726	6.2
71.01243	1.2
72.99174	6.8
83.90732	1.0
106.19358	1.2
111.10380	0.8
125.09604	3.0
135.08061	7.4
141.08936	1.0
151.07555	0.9
153.09120	100.0
154.09467	5.0
162.06685	1.1
169.08612	5.0
170.04755	1.3
171.10196	6.0
197.08133	19.3
198.08505	0.9
215.09192	83.8
216.09550	4.6
229.54416	0.9
256.23627	2.0
257.10291	13.9
257.13297	1.2
257.14096	1.4
257.23874	1.6
258.10703	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	259.022
Annotation	BETA-GALACTOSE-6-PHOSPHATE
Peak:m/z	Relative Intensity
52.55365	0.4
55.33557	0.4
59.01254	0.4
66.74652	0.4
69.80975	2.0
71.01255	0.6
72.00773	0.4
78.95774	93.0
79.95590	0.5
85.02802	0.4
94.36752	0.4
96.96838	100.0
98.19899	0.7
101.02319	1.2
108.24904	0.5
112.79435	0.4
119.04918	1.0
130.08655	0.5
138.97911	5.9
150.97896	0.5
158.01285	0.5
168.98964	2.5
199.00064	2.3
233.08154	0.4
241.01128	1.4
259.02216	10.9
260.02377	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	256.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45845	6.1
58.02852	87.2
59.01245	42.6
61.98685	7.1
71.48698	7.1
72.00782	29.0
74.02345	16.8
79.95611	13.2
81.03299	7.5
84.04418	15.5
86.02349	32.3
93.03333	10.2
95.57663	5.8
96.95900	18.3
98.02362	13.3
99.03158	4.9
107.04897	49.7
108.02058	19.0
109.02861	9.3
115.50600	5.3
119.04912	55.5
121.02795	6.6
123.04417	18.1
128.03394	6.2
134.06029	22.3
135.04411	52.9
136.07582	50.0
136.20816	5.9
152.07071	9.6
164.07060	24.7
176.07072	15.2
178.05051	5.9
178.08672	22.6
180.04198	6.7
180.06630	28.2
206.08154	47.5
214.00444	18.7
222.07654	48.1
255.23270	60.2
256.08267	23.6
256.23633	100.0
257.23840	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	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
59.01252	100.0
68.53083	3.7
71.01257	10.5
71.23471	8.6
71.23820	4.7
78.30177	4.6
89.02339	6.2
101.02312	10.5
133.01288	5.0
161.04408	9.7
193.07111	20.7
211.75302	4.2
241.32092	4.0
253.09280	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	253.108
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
57.03316	4.5
59.01251	49.2
71.01243	6.0
71.04913	2.1
71.21637	3.1
72.06630	1.2
81.03358	1.2
83.04887	1.2
85.02829	1.7
87.00751	1.4
89.02323	5.5
93.03354	1.3
94.03693	1.4
95.04877	2.1
97.02850	2.4
101.02324	5.7
103.79505	1.3
107.04889	1.7
109.02812	7.1
109.06481	2.0
113.02333	2.4
119.03313	2.5
119.08585	1.9
123.04471	1.4
124.05186	7.8
125.05966	9.6
132.02913	1.3
133.06487	1.2
135.04422	2.2
135.08031	1.4
136.03944	4.0
137.04298	8.0
139.07545	12.4
146.74632	1.3
147.08063	60.9
148.08380	3.1
149.06036	3.2
149.09647	3.9
151.07555	5.9
157.06491	1.4
158.07289	7.3
161.04515	3.6
161.06038	3.6
164.08339	18.0
165.09128	72.7
166.09468	2.5
173.09615	20.6
175.07568	8.4
176.51012	1.3
182.05832	2.3
191.10712	76.4
192.11043	8.1
193.07106	6.6
209.11775	72.3
210.12151	6.5
240.68608	1.2
253.10860	100.0
254.11272	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	252.0513
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
59.01251	11.8
61.01197	0.3
64.79222	0.3
71.01254	9.3
73.02831	0.5
78.81758	0.4
85.02825	0.5
87.00751	0.6
88.03921	2.9
89.02312	1.1
90.95328	0.4
91.01767	1.6
93.03336	16.7
94.03668	0.6
101.02343	1.7
113.02276	0.6
114.01830	0.8
115.00259	12.6
118.02006	0.7
118.02873	15.7
119.03300	1.1
121.02851	1.5
125.02334	0.4
132.02919	3.6
136.03941	100.0
137.02357	7.3
137.04282	4.5
146.05994	2.1
147.08043	1.4
161.04469	1.3
162.05522	0.5
164.07089	7.2
164.08360	0.8
165.09111	1.3
191.10725	2.1
193.07007	1.8
208.06088	6.7
209.11784	1.7
233.62115	0.5
234.04065	2.0
252.05103	27.7
253.05588	2.0
253.10805	2.2
257.44849	0.4
266.66287	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	253.0924
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
51.02342	1.0
53.01972	1.0
55.01753	3.2
57.03307	1.0
58.00457	3.6
59.01248	100.0
69.22522	7.1
69.22963	3.5
71.01250	57.1
72.99166	3.2
73.02816	6.7
73.99982	1.0
83.01244	5.1
85.02814	14.4
87.00755	7.7
89.02316	58.0
90.79256	0.8
91.03882	2.8
95.01262	5.2
97.02816	1.6
99.00738	3.6
101.02319	60.2
102.02682	1.7
113.02326	24.6
119.03393	16.8
131.03383	3.3
143.03410	5.6
149.04507	1.4
161.04457	24.9
175.67900	1.0
179.05560	6.4
193.07094	1.9
253.09256	73.7
253.21745	1.3
254.09578	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.5
60.54372	1.0
62.48445	1.2
69.71985	2.4
69.72396	3.7
72.65667	1.1
82.02843	1.4
85.02842	1.4
88.03916	3.3
98.19888	1.7
99.14551	1.0
102.58074	1.1
106.19012	1.0
119.04990	1.1
120.04442	50.4
121.02842	89.9
122.03191	5.1
128.03467	6.8
132.02910	3.1
133.06526	1.2
142.06485	1.2
144.24020	1.1
144.95201	1.0
146.06046	2.1
160.03955	1.8
160.07568	5.1
162.09160	35.6
163.09485	2.6
170.06047	3.0
188.07060	6.4
206.08156	59.5
207.08470	5.7
232.06119	17.9
250.07182	100.0
251.07556	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	250.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	26.3
59.01262	11.6
62.33838	2.4
69.68158	5.5
69.68565	12.0
70.02848	9.0
71.01238	7.9
72.00769	7.9
72.75229	2.2
72.99176	3.0
73.36181	2.7
75.00732	4.3
85.02809	6.4
87.00745	2.8
91.05399	4.5
99.00755	2.7
113.02343	4.1
120.04421	4.5
121.02834	7.3
135.04422	3.3
142.75476	2.4
147.04416	41.1
148.04767	2.6
164.07076	100.0
165.07367	2.9
188.07947	2.2
191.05305	3.1
206.08153	77.2
207.08510	5.8
232.05424	3.1
249.57883	2.3
250.06592	25.3
250.14464	25.1
251.07176	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	249.1493
Annotation	Sch 601254
Peak:m/z	Relative Intensity
56.79428	1.1
57.03314	2.5
59.01245	13.3
60.48477	1.2
61.98701	6.5
66.79778	1.2
67.38057	1.4
69.02963	2.1
69.03326	38.1
70.54557	1.5
70.62723	2.8
70.63093	2.4
71.01254	2.0
79.86903	1.3
83.04900	2.1
85.02805	2.2
87.00760	1.4
93.03339	2.6
93.20461	1.3
95.04901	5.4
97.06456	1.5
101.02287	1.2
106.04082	2.2
107.08482	1.8
111.08057	1.3
119.04891	2.1
121.02830	2.7
121.06502	2.1
134.07213	2.1
149.13248	3.5
151.11162	1.4
161.13235	2.9
161.53680	1.2
167.10678	3.5
174.90385	1.2
175.03825	1.3
177.96577	2.9
178.27310	1.3
179.10678	2.9
187.11270	1.7
187.14799	3.7
191.10680	1.9
193.12238	8.3
205.12244	10.9
205.15894	15.9
219.02985	1.5
220.14664	1.6
221.15422	15.5
222.15714	2.0
231.13838	33.7
232.14238	2.2
247.12964	1.2
249.07686	4.5
249.10999	2.8
249.14931	100.0
250.14589	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49026	1.1
59.01244	4.3
66.67416	1.2
69.35296	11.0
71.01229	2.3
75.00747	2.7
79.95615	4.1
85.02806	1.6
85.34120	1.4
95.95105	100.0
96.95890	17.1
99.00751	1.6
113.02336	2.2
119.04868	1.2
122.59759	1.2
125.10555	1.1
140.80728	1.3
164.01375	10.7
166.07521	1.1
170.59314	1.5
181.23285	1.2
194.86749	1.3
196.00270	1.7
219.06989	2.6
240.60562	1.7
249.08025	74.5
249.14935	4.9
250.08273	4.7
250.10738	1.2
250.14336	10.1
253.12126	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	246.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30307	1.0
56.18553	0.9
59.01248	13.2
59.46786	0.9
63.31118	0.9
65.01330	1.0
71.01251	3.3
72.80590	0.9
72.99177	2.4
78.11765	0.9
79.95608	1.4
82.92076	0.9
85.02840	1.4
86.19531	0.9
96.95878	3.2
104.22852	0.9
116.04940	4.0
120.11958	0.9
128.04947	1.4
130.06537	2.3
142.06531	100.0
143.06894	5.8
158.05991	8.6
172.10474	1.2
174.05598	1.1
186.05539	22.8
186.12038	1.4
187.05891	1.9
204.06602	42.2
205.06941	3.4
210.12062	1.6
228.13213	1.4
234.29497	1.1
246.08118	1.2
246.11790	1.0
246.14264	14.8
247.06154	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	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
53.11011	0.1
59.01237	0.2
66.79977	0.1
71.01263	0.6
72.80544	0.1
89.80705	0.1
96.81609	0.1
103.03902	0.4
135.03516	0.1
179.07071	0.3
179.22098	0.1
183.94951	0.2
184.00082	0.2
189.85612	0.1
205.15897	0.3
220.16989	0.4
231.13893	0.4
247.16998	100.0
248.17343	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	249.08
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.3
59.01247	1.8
62.56264	0.2
63.53731	0.2
66.47471	0.2
69.38888	0.2
71.01253	2.2
71.49810	0.3
72.99213	0.3
73.02821	1.0
79.95584	2.0
82.32584	0.2
83.01237	0.6
85.02816	1.0
88.33851	0.2
95.95100	100.0
96.95886	12.6
99.00761	0.3
101.02313	2.4
102.02477	0.2
106.13161	0.2
113.02304	0.8
113.03059	0.3
128.92957	0.3
158.95126	0.2
161.04456	0.3
163.00645	0.3
164.01392	9.5
165.01703	0.4
171.25221	0.2
196.00414	2.1
205.05138	0.3
219.06784	0.4
249.07986	73.0
250.05922	0.3
250.08351	5.0
250.14371	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99893	0.4
57.03311	0.8
59.01251	34.3
61.98686	0.6
62.21321	0.5
69.03329	0.8
69.73775	0.4
71.01257	1.5
71.49757	0.7
76.72659	0.4
77.43063	0.5
79.95608	17.3
80.96397	5.5
83.01230	0.8
85.02838	2.6
87.00765	0.9
95.95113	2.0
96.95887	50.5
97.02824	0.6
99.00745	0.6
99.92513	0.5
113.02328	0.5
121.69907	0.4
122.97451	0.8
125.02320	1.0
127.11148	0.7
137.96164	1.1
138.96924	1.1
143.03336	0.6
145.01082	0.5
147.43767	0.4
152.98468	1.1
152.99538	0.7
153.12782	0.6
155.14305	0.6
159.97528	8.2
164.98576	5.2
165.12759	5.8
166.13118	0.6
174.03160	0.8
175.03862	0.6
175.06305	0.6
180.98058	0.9
181.12276	1.7
183.13828	26.6
184.14171	2.0
185.11783	0.7
199.13332	43.8
200.13646	3.0
203.12822	0.8
204.98108	1.9
206.02110	0.8
209.11784	0.9
222.99126	4.6
225.04330	20.7
227.12845	5.0
241.00133	2.4
244.54944	1.9
245.04576	2.9
245.08554	4.5
245.13918	100.0
246.04929	4.7
246.07689	0.8
246.08203	0.7
246.14316	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	245.1756
Annotation	CHEBI:79279
Peak:m/z	Relative Intensity
52.01426	0.4
52.31337	0.4
59.01251	100.0
60.01584	1.3
65.24352	0.4
66.65951	0.4
71.45300	0.5
71.45632	0.6
74.78340	0.5
79.95600	2.9
80.96404	0.6
96.95887	8.6
104.40810	0.4
104.78677	0.4
114.24330	0.4
152.98593	0.6
159.97487	2.1
185.15375	1.8
203.12718	0.5
225.04333	2.0
241.00186	0.9
245.04390	0.7
245.08119	1.7
245.17557	50.9
246.05029	0.6
246.17938	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	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30064	0.8
55.01048	0.8
59.01248	1.7
64.31075	0.8
66.03342	1.8
71.49532	1.0
72.14070	0.7
79.95606	1.8
82.06483	4.3
83.04907	1.2
83.13776	0.8
84.08090	0.9
84.42706	0.9
86.94226	0.7
90.57945	0.7
91.66450	0.8
91.99568	0.7
99.97362	0.8
110.02363	2.5
112.07514	1.7
113.05982	1.7
114.09100	1.3
119.04942	1.1
124.03961	1.6
129.10217	4.0
130.08632	48.4
131.08994	1.5
139.07556	1.1
160.70503	0.9
176.39363	0.9
178.54207	0.8
182.15395	4.0
199.18097	27.8
200.18388	2.3
201.07585	1.1
208.52159	0.9
243.01559	0.9
243.06432	1.2
243.17110	100.0
244.17403	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	245.0428
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.59489	0.3
50.80737	0.3
54.76487	0.3
58.01093	0.3
66.91529	0.4
78.95774	100.0
83.01245	0.3
84.23106	0.4
89.14713	0.3
96.96834	6.9
101.76620	0.3
150.97916	1.0
152.99487	74.3
153.99811	1.7
171.00551	30.5
172.00867	0.8
174.03130	0.8
175.03847	0.5
206.02148	0.4
245.04285	75.6
245.08295	2.7
246.04613	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	245.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	23.5
59.01241	2.2
69.37836	2.4
69.38243	7.2
70.02854	17.3
72.00780	5.3
72.04415	5.7
72.30766	1.1
74.02341	100.0
78.95769	1.4
79.95595	10.0
80.96401	2.3
83.01241	1.3
89.68839	1.3
91.02949	1.1
95.95127	1.3
96.95880	19.8
98.02351	23.6
108.02068	1.5
116.03430	33.4
116.04937	37.6
117.05331	2.1
121.02859	2.6
130.06526	4.6
142.06522	9.7
152.23886	1.1
158.05969	1.3
158.96730	1.3
159.09218	5.7
159.97551	5.8
160.02457	1.7
160.97327	1.3
167.97272	4.8
173.06102	1.4
174.03079	1.7
183.09238	1.9
186.05585	1.7
201.05353	1.6
201.10252	7.3
203.08189	89.7
204.08542	5.5
231.09015	1.3
241.00203	2.0
245.04280	9.1
245.09325	82.4
246.04088	1.7
246.09393	7.1
246.11804	2.0
248.29865	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	241.1079
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03327	1.4
59.01250	0.9
69.03320	3.1
69.91370	3.6
71.04891	3.7
81.03339	0.8
83.04888	2.0
96.95882	4.2
100.11967	0.6
123.08026	1.2
125.09596	2.1
148.05205	6.4
151.11201	1.2
153.12761	3.6
159.97421	0.7
161.09645	0.7
163.07579	2.2
179.10724	6.5
197.11758	100.0
198.12062	6.6
223.09724	2.5
241.00206	7.1
241.10771	65.7
241.14653	2.2
242.11127	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.21942	0.5
59.01238	1.3
71.04884	3.1
81.74968	0.6
83.04880	1.1
93.28928	0.6
95.04858	0.7
96.95871	2.3
97.02835	7.1
97.06441	1.9
98.20603	0.9
98.95479	1.6
99.00755	26.9
109.06465	2.0
110.03600	2.4
123.08064	0.9
125.09606	6.5
127.11198	1.1
135.08066	1.3
136.05212	1.0
142.02599	2.5
148.05185	2.1
149.05597	0.9
153.12776	0.9
155.14325	2.7
161.09659	1.1
163.11179	9.7
164.11531	0.6
171.10048	0.8
173.79039	0.6
179.10652	0.8
181.12251	26.2
182.12607	2.0
182.97063	0.7
194.14407	0.6
197.11751	1.7
199.13318	21.9
200.13631	1.4
207.10199	47.1
208.10509	3.8
225.11264	98.3
226.11607	7.5
229.28473	0.7
241.00099	1.4
242.99799	1.3
243.12343	100.0
244.12695	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01741	0.3
57.03296	0.4
59.01233	1.1
70.85346	0.9
71.04897	2.9
81.03352	0.4
83.04884	1.2
96.95889	1.4
97.02813	3.8
97.06435	1.0
98.95451	0.6
99.00755	17.0
109.06450	1.3
110.02356	0.6
110.03601	1.2
123.08024	0.7
125.09606	4.5
135.08029	0.8
136.05136	0.6
142.02611	1.6
146.34399	0.3
148.05153	1.6
149.05534	1.0
153.12761	0.5
155.14299	1.4
159.33972	0.3
161.09514	0.3
161.42842	0.3
163.07507	0.6
163.09842	0.3
163.11212	5.4
164.07854	0.3
164.11562	0.5
165.08168	0.4
170.51779	0.3
171.10201	0.7
181.12256	16.3
182.12582	0.9
197.11809	0.8
199.13327	11.2
200.13702	0.8
207.10193	33.3
208.10533	2.7
225.11264	68.6
226.11583	5.8
230.56656	0.3
241.00203	0.8
242.00517	0.5
243.12337	100.0
244.12666	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	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.0
75.10978	1.3
107.11715	1.5
110.02356	3.8
124.03896	1.9
129.10245	4.0
130.08627	41.6
164.36754	1.3
199.18091	29.3
200.18503	1.6
225.11249	2.0
229.88936	1.7
243.06509	2.4
243.12238	4.9
243.17111	100.0
244.17389	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	7.4
59.01251	100.0
60.01590	1.4
61.98696	0.8
71.04905	1.5
71.49192	1.0
77.12833	0.8
77.58930	0.7
79.95610	1.8
81.53619	0.7
83.04898	1.7
85.02806	0.9
87.00751	1.0
95.04916	0.9
96.95888	24.1
97.06500	2.0
99.04401	3.5
108.02049	1.5
119.08569	3.4
135.08058	1.0
135.11716	0.8
137.09616	7.2
148.05203	6.5
151.11180	1.0
161.09560	1.6
163.07567	5.6
169.12257	3.6
179.10741	5.3
181.08618	21.2
182.08977	1.1
195.10187	1.8
195.13832	2.7
197.11758	36.1
198.12154	2.5
221.92705	0.8
223.09698	1.8
241.00198	23.8
241.05008	1.1
241.07062	1.1
241.10757	16.5
241.14401	17.7
241.18065	1.4
241.21674	0.9
242.11070	2.4
259.58194	0.8
264.16571	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	241.1079
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03327	7.4
59.01251	100.0
60.01590	1.4
61.98696	0.8
71.04905	1.5
71.49192	1.0
77.12833	0.8
77.58930	0.7
79.95610	1.8
81.53619	0.7
83.04898	1.7
85.02806	0.9
87.00751	1.0
95.04916	0.9
96.95888	24.1
97.06500	2.0
99.04401	3.5
108.02049	1.5
119.08569	3.4
135.08058	1.0
135.11716	0.8
137.09616	7.2
148.05203	6.5
151.11180	1.0
161.09560	1.6
163.07567	5.6
169.12257	3.6
179.10741	5.3
181.08618	21.2
182.08977	1.1
195.10187	1.8
195.13832	2.7
197.11758	36.1
198.12154	2.5
221.92705	0.8
223.09698	1.8
241.00198	23.8
241.05008	1.1
241.07062	1.1
241.10757	16.5
241.14401	17.7
241.18065	1.4
241.21674	0.9
242.11070	2.4
259.58194	0.8
264.16571	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	241.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68116	1.0
59.01250	45.3
60.22742	1.2
69.03326	3.7
71.01289	1.3
71.06412	2.5
71.92036	1.0
72.99185	4.7
78.91763	2.0
79.84540	1.0
81.19239	1.0
83.04801	1.0
88.05894	1.1
96.95874	2.1
107.08536	15.5
109.67321	1.1
119.08547	1.4
123.04527	1.2
123.08029	1.5
133.06516	1.1
151.07559	2.0
153.09142	2.0
163.07640	1.9
169.08669	1.4
181.08609	12.7
199.09688	100.0
200.10025	8.6
226.06339	2.8
241.00101	1.1
241.10847	3.6
241.14371	5.9
241.21706	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	241.1077
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03328	0.9
59.01252	43.3
60.01585	0.5
69.03325	3.9
69.38390	1.8
69.38810	1.1
71.01260	0.8
72.99180	4.0
75.17200	0.3
95.04917	0.4
96.31558	0.4
96.95913	0.9
101.18679	0.4
105.07027	0.7
107.08553	14.2
108.08875	0.7
119.08576	1.7
123.08072	1.8
133.06467	0.8
135.08067	0.9
136.61986	0.4
137.09602	0.4
151.07582	2.3
153.09109	1.5
162.90079	0.4
163.07535	1.2
169.08607	1.3
181.08629	12.4
182.08969	1.4
195.13876	0.5
197.11795	1.5
199.09692	100.0
200.10013	6.8
214.07498	0.4
218.81248	0.3
241.00032	0.5
241.10800	3.2
241.14351	1.7
241.21750	0.4
251.24187	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	241.0866
Annotation	1,7-Dihydroxy-5-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
57.03290	0.4
59.01193	0.6
61.98631	0.3
71.49924	0.2
73.02781	0.2
75.00648	0.2
79.95547	0.5
83.04810	0.2
95.95052	0.3
96.95888	3.1
108.01982	0.4
123.04419	0.4
133.02704	0.2
138.96933	0.2
148.05124	0.7
151.11234	0.2
163.07501	0.2
167.97160	0.2
169.06433	0.5
181.06342	0.2
187.06168	0.2
195.13805	0.6
197.06015	2.1
197.15334	0.3
198.06636	0.3
208.05258	0.2
213.05380	0.2
219.11115	0.2
225.05516	4.7
226.06305	100.0
227.06641	9.6
241.00285	2.2
241.08681	29.2
241.14139	2.3
241.18062	0.5
241.21725	0.6
242.08992	3.4
242.14658	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	237.1493
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
51.82138	2.9
57.03314	4.1
59.01251	90.5
61.98700	28.6
65.39716	3.0
69.03316	21.2
69.24879	32.0
71.01260	22.5
72.99194	3.9
73.02816	10.3
78.95766	9.5
79.95615	11.1
82.36359	2.9
83.01256	5.0
85.02808	13.9
89.02295	7.0
93.03335	3.8
95.01261	3.3
96.95881	25.9
97.06458	42.9
101.02320	19.6
113.02309	11.4
116.92725	5.8
118.02886	7.2
121.02801	5.7
121.10127	6.7
123.08038	47.6
125.05863	3.4
139.07516	11.6
147.11644	9.5
159.02795	4.0
161.04436	6.0
165.12743	3.6
167.06955	6.8
175.14781	11.6
176.53844	3.5
179.10727	20.6
180.94133	3.1
183.06563	3.5
193.08598	5.4
193.15912	7.4
194.05833	3.6
201.12720	3.4
207.02879	5.1
219.13730	6.4
222.05299	6.2
237.04082	7.6
237.07639	14.0
237.11256	10.2
237.14920	100.0
238.05083	4.7
238.15228	11.5
259.14581	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	239.0921
Annotation	CMPF
Peak:m/z	Relative Intensity
50.44574	0.7
57.03328	2.8
57.56814	0.7
58.22568	0.8
59.01250	100.0
60.01582	1.8
69.96841	0.7
70.81007	2.0
72.57858	0.7
81.03348	2.7
81.34734	0.7
83.04901	1.2
85.02849	2.2
87.00771	2.5
88.55437	0.7
89.33536	0.7
95.04918	3.0
97.06483	2.5
99.00771	1.1
106.76820	0.7
109.06501	3.4
112.45100	0.7
123.08097	1.4
133.06494	0.8
135.08049	2.5
141.05482	7.2
145.93832	0.8
151.11226	3.4
155.15373	0.7
161.04506	2.2
177.09091	4.3
179.05550	6.8
179.07108	2.4
195.10191	26.1
195.13885	3.5
196.10640	2.8
239.09238	17.2
240.09644	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	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.7
61.98705	1.7
68.22295	0.2
71.01252	0.7
71.49232	0.2
72.99165	0.2
73.02831	0.3
75.00732	0.2
78.95769	0.3
79.95621	0.2
83.01310	0.2
85.02818	0.5
94.02867	0.5
96.95881	0.4
97.06477	0.2
99.00801	0.2
101.02321	0.5
107.04874	0.2
109.02847	0.3
111.04404	0.3
113.02309	0.3
116.92737	0.3
120.04427	0.2
121.02837	0.4
123.04441	0.2
127.13007	0.2
128.77148	0.2
134.03639	0.7
134.91649	0.2
135.04410	0.4
136.05200	0.9
136.98494	0.2
137.02339	0.2
147.04495	0.2
147.08127	0.3
148.05199	10.6
149.05692	0.7
149.09634	1.4
151.07591	0.2
162.06688	0.5
163.07523	0.2
164.08498	0.2
165.01974	0.2
165.05524	0.2
165.24054	0.2
170.38950	0.2
175.07602	0.5
176.08357	1.1
177.09122	45.6
178.09470	3.6
179.10518	0.4
182.35312	0.2
190.09897	1.7
191.07028	0.2
191.10716	0.9
192.11479	33.8
193.11873	2.9
201.09146	0.7
203.07062	0.8
206.09462	0.2
207.02980	0.2
217.08652	3.0
218.09421	8.9
219.09775	1.0
222.05273	0.3
236.10493	100.0
237.04193	0.4
237.10886	9.9
237.14563	1.5
254.00475	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	237.113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
59.01238	0.6
60.99171	0.3
64.47551	0.3
66.96561	0.3
67.05384	0.6
69.48289	1.4
69.48696	0.7
71.01266	0.6
75.23877	0.3
77.43569	0.3
78.95793	0.4
81.03316	0.4
83.04894	1.2
89.10162	0.3
93.03339	0.9
96.95893	1.6
107.04903	0.8
107.08562	1.4
111.38300	0.2
113.02333	0.3
113.75784	0.3
121.06505	0.6
123.08052	3.3
127.81170	0.3
131.08545	1.2
133.06477	5.3
134.07169	0.3
149.09618	100.0
150.09953	7.5
167.37947	0.3
175.07607	0.6
175.11220	0.9
193.08623	1.1
229.69930	0.3
237.07784	0.5
237.11317	4.6
238.11642	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	236.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79881	2.3
71.01246	15.7
115.00253	26.1
120.04438	100.0
121.02846	23.4
121.04739	4.4
148.07593	9.4
149.07919	1.1
174.05515	15.2
192.06589	33.8
193.06970	3.1
218.04521	3.5
236.05602	45.5
237.06006	4.8
253.67844	0.9
254.77391	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	236.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67596	0.6
54.61304	0.5
70.79717	1.2
70.80084	1.0
71.01254	14.3
88.28133	0.6
93.11465	0.6
94.07417	0.7
115.00256	25.5
119.04916	0.6
120.04440	100.0
121.02847	18.6
121.04770	4.2
130.06566	0.9
146.06018	1.5
148.07581	10.8
152.91998	0.6
174.05530	12.3
175.05893	0.7
192.04825	1.5
192.06590	30.3
193.06892	1.4
218.04488	4.1
236.05602	32.1
237.05884	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	231.1598
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
51.62612	0.2
57.03329	1.6
59.01258	0.2
69.23882	0.3
69.24287	1.5
71.04890	0.2
87.04393	0.5
93.77012	0.2
99.12749	0.2
125.05972	0.2
125.09609	0.4
127.11186	2.4
128.11447	0.2
134.73672	0.2
151.74661	0.2
155.01988	0.2
155.14284	1.0
167.14384	0.2
171.08759	0.4
171.10170	4.8
172.10483	0.3
183.13792	0.6
185.15359	0.5
195.13843	0.7
211.13213	0.3
213.14915	3.9
214.15186	0.4
229.14412	3.4
231.15970	100.0
232.16304	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	233.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23027	0.2
55.76338	0.2
59.01249	9.0
59.96606	0.4
60.97392	0.6
67.01753	0.2
69.83447	1.4
71.01258	0.4
74.98935	6.4
75.00743	0.7
91.02087	1.1
93.00008	3.7
93.03334	1.8
111.04436	0.4
118.96130	0.7
119.56467	0.2
120.05566	0.2
134.99286	8.1
135.99251	0.6
136.97188	2.2
141.07320	0.4
143.05235	0.4
149.00854	70.6
150.00810	4.4
150.98782	0.7
159.08350	2.2
159.37367	0.3
161.02362	0.4
161.06305	4.1
162.86687	0.2
167.01947	0.5
173.04491	1.8
188.98494	0.3
189.01981	0.3
190.98643	0.4
201.03976	0.4
215.05591	0.9
217.07153	95.4
218.07289	11.3
233.10294	100.0
233.15326	16.6
234.10443	11.3
234.15625	1.4
235.08226	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	231.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	19.5
70.63903	3.1
70.64269	3.2
83.13159	1.6
97.06470	3.2
109.06468	6.8
113.56736	1.5
125.06005	2.0
127.07545	100.0
128.07835	5.4
133.17867	1.4
143.07027	11.5
171.06540	14.5
189.01874	2.2
189.07611	70.6
189.09325	3.8
190.07985	3.6
222.04060	1.9
231.06659	1.8
231.08701	5.3
232.06006	2.2
239.00511	1.6
239.14662	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	231.1233
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
53.82893	0.6
59.01250	6.7
62.74828	0.7
67.41697	0.7
72.99168	1.4
78.11806	0.6
80.02545	1.5
80.98347	0.9
88.56606	0.6
97.06447	1.8
98.20615	1.2
117.81161	0.7
123.08065	5.2
125.09513	1.0
144.05724	0.7
151.58055	0.6
155.10722	3.7
160.01526	0.7
161.02336	3.1
188.97079	0.7
199.09660	4.3
203.03542	0.7
216.04169	0.7
231.02951	1.7
231.12325	100.0
231.15590	4.1
232.06139	0.7
232.10353	1.0
232.12685	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.35427	0.5
54.85228	0.5
57.03325	0.6
59.01233	1.8
61.98690	0.8
70.17390	1.5
70.17783	0.9
87.00770	0.6
94.02849	1.5
99.92424	1.1
116.92741	1.5
122.00599	0.5
127.11196	0.6
142.66595	0.5
144.04422	0.5
165.12697	0.6
165.38255	0.6
167.14326	29.2
168.14682	2.6
185.06041	1.1
211.13332	26.2
212.13629	2.3
229.01378	0.8
229.04974	1.9
229.14398	100.0
230.08237	1.0
230.14767	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	229.1441
Annotation	6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
Peak:m/z	Relative Intensity
58.86189	0.8
59.01250	61.4
60.01585	0.8
61.98710	1.5
64.08087	0.8
66.03371	0.9
69.18154	8.4
71.01231	0.9
80.45899	1.0
89.25284	0.9
90.46280	0.8
93.03332	1.1
94.02873	1.0
99.92458	3.0
116.92756	2.4
125.09578	0.9
131.36183	0.9
139.11237	2.0
141.12755	33.0
142.13083	2.0
145.36952	0.8
153.12709	5.4
164.10229	0.7
167.14293	1.6
169.12256	19.1
170.12660	1.1
174.03098	0.9
185.05981	1.1
185.11691	0.9
187.13324	100.0
188.13661	6.7
194.13948	0.9
197.11726	2.7
211.13301	1.2
215.12857	7.2
229.04974	3.4
229.08757	2.0
229.10825	2.1
229.14388	21.3
229.18008	2.3
230.15137	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.97933	0.1
57.03319	0.8
59.01260	0.2
65.01306	0.1
67.01733	0.2
69.03314	0.2
71.04880	0.6
71.49236	0.3
83.04908	0.8
84.02042	0.5
85.02821	0.7
87.04414	0.2
95.04951	0.1
96.25674	0.1
97.06464	0.4
101.05970	0.1
123.08005	0.3
125.09615	2.4
126.09962	0.2
127.11177	4.1
128.11482	0.2
137.71909	0.1
143.10680	0.2
153.12730	0.1
155.14322	1.0
163.11218	0.3
165.12793	0.8
167.14331	2.6
168.14670	0.2
171.10182	4.1
172.10478	0.3
175.11169	0.2
181.12138	0.2
183.13831	1.7
184.14192	0.2
188.06538	0.1
193.12277	1.0
209.11760	3.3
210.12006	0.2
211.13339	10.7
212.13684	1.1
229.14409	100.0
230.14758	8.8
230.17142	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.39892	0.5
58.00465	1.0
59.01246	0.9
61.98681	0.5
66.03348	0.9
71.01269	0.5
71.49609	0.7
75.72404	0.4
87.00729	0.5
94.02794	0.9
99.92460	0.8
109.03824	0.5
125.09579	0.6
127.11185	0.6
142.20169	0.4
144.66226	0.5
153.12766	1.4
155.14336	5.1
167.14325	1.4
170.04652	0.5
183.13824	6.1
184.14111	0.4
185.06012	1.2
185.15474	0.5
193.12268	0.8
199.13329	3.8
209.11839	0.5
210.46666	0.4
211.13364	6.3
212.13599	0.4
214.02702	0.4
227.12775	2.6
229.04994	1.2
229.14400	100.0
230.14725	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.40887	0.2
57.03321	1.3
59.01245	0.2
59.22157	0.2
71.04887	0.6
83.04881	0.4
83.67616	0.2
84.02031	0.5
84.80010	0.1
85.02822	0.6
97.06459	0.5
98.20568	0.4
121.06071	0.2
123.08047	0.2
124.70983	0.2
125.08749	0.3
125.09617	3.6
127.11179	4.0
128.11441	0.2
148.80711	0.1
155.14317	1.8
165.12709	0.8
167.14308	1.8
168.14633	0.2
171.10245	0.3
183.13814	0.8
185.15335	0.4
209.11758	1.6
210.12326	0.1
211.13338	3.0
212.13676	0.3
229.14398	100.0
230.14738	9.4
245.29111	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	229.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59599	0.2
57.03312	0.3
58.00451	0.3
59.01245	4.6
64.79121	0.2
69.03327	0.2
69.22050	0.7
69.22470	1.3
83.04901	0.6
97.06461	0.3
110.22208	0.2
121.10120	0.2
126.30730	0.2
127.11222	0.2
143.50690	0.2
144.69424	0.2
149.13243	0.5
153.12840	0.2
155.10551	0.2
155.14290	0.7
163.11191	0.5
165.12772	0.2
167.10732	0.2
167.14334	0.9
169.12248	11.0
170.12569	0.6
175.11177	0.7
181.12256	5.1
182.12602	0.4
183.13858	1.1
187.06183	0.2
193.12270	7.3
194.12590	0.6
199.13348	3.2
200.13654	0.3
201.11389	0.2
209.11729	0.5
211.13333	15.3
212.13644	1.3
227.12840	1.4
229.14398	100.0
230.14726	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	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03320	0.6
58.00463	0.4
58.94208	0.3
59.01232	0.5
60.37342	0.3
65.01306	0.7
69.03292	0.5
71.24917	0.3
71.50044	0.5
83.04906	1.1
84.02045	0.3
95.04909	2.0
97.06449	0.5
99.46864	0.4
111.08009	0.4
125.09582	0.4
127.03883	0.4
132.05534	0.5
139.11200	4.4
151.11172	2.3
153.12747	5.0
155.14294	0.6
156.05573	0.3
163.11168	1.3
165.12787	3.6
181.12285	2.7
183.10129	0.8
183.13870	2.9
191.10608	0.4
199.13339	5.6
200.13649	0.7
201.04156	0.4
201.07732	0.6
209.11803	6.8
210.12016	0.8
223.88994	0.3
225.11317	0.4
227.12842	100.0
227.20023	2.0
228.13190	9.0
241.00247	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	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.64145	0.3
59.97008	0.4
69.49256	2.8
69.49651	0.6
71.04904	0.8
80.02553	2.2
81.03355	1.8
83.01270	0.5
83.04898	7.8
84.02044	4.1
95.04901	1.0
97.06506	0.5
98.20573	0.8
106.04029	0.4
109.06482	0.7
125.05967	0.7
125.09591	0.5
135.08044	1.1
156.41318	0.4
163.11188	6.6
164.11505	0.6
165.12749	4.6
166.90572	0.4
181.12262	1.1
183.13791	1.2
191.10695	1.5
199.13306	0.6
209.11778	100.0
210.12120	9.9
227.12889	4.0
227.20074	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	227.1284
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03309	0.3
59.01248	0.3
60.56971	0.2
65.97076	0.2
69.04804	0.3
70.84528	0.3
70.84874	0.6
84.60474	0.2
97.06461	0.3
103.53947	0.3
105.95193	0.2
108.29426	0.2
111.08028	0.7
165.12756	18.8
166.13123	1.6
181.12218	0.4
183.13826	100.0
184.14180	8.0
209.11725	2.4
227.12837	15.0
227.20120	0.6
228.13170	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	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27523	0.7
66.69205	0.5
70.64843	1.9
81.10852	0.7
111.08041	0.9
140.17754	0.6
165.12761	19.2
166.13107	1.3
181.87277	0.5
183.13823	100.0
184.14160	8.6
186.53635	0.6
209.11804	3.4
227.12827	18.8
227.16237	0.8
227.20113	1.1
228.13162	1.3
234.52936	0.6
239.73521	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	227.1285
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
50.44192	3.6
52.76090	3.6
57.03323	5.8
59.01246	8.7
61.98705	14.0
66.87795	3.7
70.34318	15.2
83.04863	5.5
93.39188	3.4
97.06469	7.5
98.20560	4.0
99.92451	7.9
111.00790	5.1
113.05935	4.4
123.04453	5.5
127.07539	5.9
139.03851	4.6
139.11212	9.9
143.37105	3.8
163.11217	4.0
165.12776	18.5
183.13828	100.0
184.14185	9.2
193.56773	4.1
199.13354	4.5
200.25485	3.8
206.35005	4.5
208.16972	4.0
208.93250	9.7
209.11778	41.1
210.12268	4.1
227.03516	7.1
227.07181	8.7
227.09192	8.7
227.12830	80.1
227.16321	18.5
227.20108	39.8
228.06790	5.3
228.10426	5.3
228.13278	8.7
228.16078	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	225.1492
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01241	4.2
59.87842	0.5
61.98700	3.7
70.98448	1.1
79.95625	0.6
83.04883	1.1
93.03304	0.6
96.95907	1.7
97.06438	0.6
98.57512	0.5
120.63412	0.4
137.02345	0.5
139.45049	0.5
163.14853	1.0
169.12253	0.8
181.12216	1.6
181.15855	0.9
189.12791	0.6
195.02824	0.7
195.13843	8.8
196.14159	1.0
197.15428	4.6
207.13835	24.3
208.14156	2.0
225.14909	100.0
225.92632	1.4
226.15247	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	227.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87178	0.5
57.03308	1.4
58.00444	0.7
58.64562	0.4
59.01244	1.6
64.46159	0.5
69.03345	0.7
69.35010	1.2
69.35413	3.9
70.29094	0.5
71.01244	0.7
81.03328	0.5
83.04916	2.6
84.02030	0.9
85.01904	0.5
95.04888	0.9
97.06468	2.1
98.19820	1.1
99.92500	0.6
101.02307	0.9
106.03992	0.7
109.06487	0.9
111.00761	0.6
111.04449	0.6
111.08028	4.0
117.67750	0.5
119.01505	0.6
127.03885	0.7
129.39490	0.5
139.11172	0.7
153.04469	0.6
158.03502	0.6
163.11206	1.8
165.12766	26.3
166.13158	2.4
181.12247	0.7
183.13824	30.5
184.14156	2.5
199.13387	0.7
201.07695	0.9
208.93274	0.8
209.11780	21.5
210.12146	2.2
225.58647	0.5
227.12845	100.0
227.16490	2.7
227.20169	4.0
228.08856	0.6
228.13190	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	224.056
Annotation	4-Amino-4-deoxychorismate
Peak:m/z	Relative Intensity
51.29180	1.4
51.48199	1.5
59.01254	2.0
68.99689	3.8
71.01255	9.3
71.12515	3.7
72.99182	24.3
101.02306	4.3
108.04429	52.3
109.06494	1.6
118.02872	27.4
120.04435	4.5
121.90601	1.6
131.67491	1.6
134.02390	16.0
134.05965	2.5
144.04451	42.1
150.05502	6.3
162.05515	66.7
163.05841	7.0
164.03430	15.3
178.05026	2.2
181.12358	1.6
182.02159	1.9
188.03455	100.0
189.03795	10.1
198.40720	1.4
206.04535	28.0
207.04898	2.1
224.05620	7.5
225.07599	2.1
225.11241	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	225.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.5
59.01248	100.0
59.18230	0.3
60.01589	1.6
71.25717	0.5
71.26031	0.5
71.34996	0.3
80.11614	0.3
81.03334	0.9
81.90131	0.3
83.04919	0.5
86.94476	0.3
88.77248	0.3
93.03337	0.3
95.04897	1.0
97.06462	4.1
98.03316	0.4
108.62286	0.3
109.06519	0.5
135.08052	1.7
140.87169	0.4
147.08025	2.9
151.11163	0.6
163.11186	0.9
165.09094	2.2
181.12300	1.1
207.10199	0.5
208.69745	0.3
225.11263	29.9
226.11635	3.1
226.13693	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	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.72744	0.7
53.96542	0.7
57.03319	2.1
58.13116	0.7
59.01243	6.8
61.98698	2.8
69.03333	8.8
70.25842	2.6
70.26214	1.6
71.04886	2.4
71.68950	1.0
83.04898	1.2
83.19484	0.8
85.06462	1.5
95.04907	1.2
98.50288	0.7
109.06472	2.2
123.07964	0.8
141.09203	1.0
145.87436	0.8
149.09602	2.3
153.09209	0.9
161.13159	1.0
165.66631	0.7
166.06367	0.8
167.10683	9.1
168.10986	1.1
177.12785	2.1
179.10767	4.6
179.14317	9.8
193.01396	1.1
195.13837	31.2
196.14172	2.2
205.12270	22.5
206.12572	2.0
208.03781	1.2
222.95157	0.8
223.13336	100.0
224.13689	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	221.1543
Annotation	Rishitin
Peak:m/z	Relative Intensity
57.03322	0.2
57.63401	0.1
58.49742	0.1
59.01251	6.3
60.01583	0.2
60.11103	0.1
61.98698	0.9
69.03314	0.2
71.01245	0.3
71.49385	0.1
75.00733	0.2
77.38982	0.1
83.01246	0.1
85.02819	0.3
99.47013	0.1
101.02309	0.3
101.05958	0.2
109.02802	0.1
113.02287	0.2
127.07551	1.1
134.03549	0.2
148.05168	0.3
149.02367	0.2
149.05914	0.4
151.07587	0.9
161.04507	0.3
163.00255	0.2
164.07048	0.2
164.08334	2.5
165.09071	0.3
177.09109	0.2
190.99826	0.3
201.94879	0.1
203.10724	0.2
205.12251	1.6
206.02054	0.4
206.05739	0.2
206.12579	0.9
207.13867	1.9
220.14651	4.0
221.04549	0.6
221.15402	100.0
222.15744	11.3
235.13356	1.5
236.13689	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	223.0608
Annotation	Sinapate
Peak:m/z	Relative Intensity
59.01246	1.4
60.15862	0.6
63.02258	0.5
65.00184	1.5
67.01768	1.4
70.22411	1.1
70.22818	1.8
71.01240	1.1
73.02798	0.8
74.16394	0.7
90.76822	0.6
91.01758	0.7
93.03337	15.1
94.03653	1.0
101.02303	0.8
104.09409	0.7
107.01292	1.0
107.04858	0.6
108.02126	0.9
109.02839	1.4
119.01239	0.7
121.02844	26.4
122.03162	1.6
123.04401	1.4
134.03580	1.0
135.04425	10.4
136.01498	1.0
137.02336	3.2
149.02353	60.3
150.02676	3.6
150.68350	0.5
151.03893	2.5
152.01062	19.5
153.01411	1.3
163.03932	16.8
164.01019	0.8
164.04698	31.5
165.01845	15.2
165.05040	2.4
166.09004	0.6
167.03415	3.0
169.05002	9.7
179.07060	14.3
179.10510	0.7
180.04208	1.4
180.07568	0.8
193.01355	68.4
194.01694	4.1
195.02820	0.7
207.02992	0.8
208.03714	100.0
209.04099	7.9
223.02583	1.5
223.06078	50.3
223.09674	1.6
223.13356	1.5
224.06374	4.4
242.69637	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	218.1029
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.77915	0.5
52.94644	0.6
59.01252	2.1
70.78037	1.6
71.01257	10.6
71.04896	12.1
82.99522	0.4
88.03915	100.0
89.04282	1.8
92.57630	0.6
99.04399	4.2
113.41698	0.5
116.03427	0.9
116.07052	2.2
129.05489	0.9
146.08136	50.8
147.04448	0.6
147.08482	1.6
175.07552	0.6
218.08234	1.6
218.10275	25.8
219.06522	0.8
219.10521	1.9
219.17500	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	221.0814
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
59.01251	25.4
61.97878	1.3
65.15018	1.2
69.03326	49.3
69.15851	15.1
70.03685	1.5
71.01258	3.1
71.04892	100.0
72.05226	1.9
75.00803	1.3
75.02279	2.4
85.02843	2.9
93.03349	3.5
95.42113	1.4
96.95888	1.2
101.02327	2.4
107.04922	5.2
121.01969	2.5
121.02843	51.3
122.03181	2.5
134.03630	19.0
135.04424	1.8
135.70784	1.4
147.00743	8.9
147.08086	3.6
149.09596	14.1
161.04526	1.7
163.11148	1.8
165.01833	4.8
175.07454	2.7
177.09122	13.3
190.99788	4.5
193.08681	3.0
221.04681	2.5
221.08170	31.0
221.11699	2.8
222.08534	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	215.1648
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
51.69619	0.4
59.01249	2.5
61.98701	0.7
67.41833	0.3
70.02733	0.4
71.01251	0.6
81.03349	0.4
82.46790	0.3
83.04897	0.6
93.03325	2.2
98.19754	0.6
99.00754	0.4
111.04387	1.3
115.91984	0.5
116.92711	0.6
122.89310	1.2
125.09631	0.4
137.02322	1.4
144.00822	5.8
153.09177	0.5
153.12637	0.6
155.03392	0.7
169.15892	4.5
171.01910	0.5
171.10210	0.6
172.00255	0.9
186.89708	0.8
187.03914	0.6
197.11848	0.5
197.15414	2.1
213.14845	0.8
215.00931	34.3
215.05409	1.0
215.07089	1.0
215.12956	2.9
215.16464	100.0
216.01195	2.9
216.06660	1.4
216.16820	9.0
229.97342	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	217.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.1
65.99731	0.4
70.84409	0.3
70.84724	0.6
71.01277	0.4
71.41077	0.3
72.99171	0.5
78.32093	0.3
79.95611	0.7
82.90349	0.3
87.00782	0.4
88.03915	0.5
96.95885	1.7
99.62086	0.3
106.04032	0.4
115.00266	0.3
125.09615	1.4
127.11163	2.0
134.03491	0.4
135.01939	0.4
137.09624	3.4
153.09123	1.0
155.10683	39.3
156.11008	2.2
159.63785	0.3
171.10181	55.1
172.09120	0.4
172.10526	3.5
174.99202	0.4
177.04228	0.3
181.08684	0.7
189.05556	0.4
199.09679	6.8
200.09984	0.7
217.10759	100.0
218.01744	0.4
218.04556	0.8
218.08139	0.4
218.08865	0.4
218.11118	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	217.1076
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.03318	0.4
59.01249	3.6
65.07006	0.2
65.99751	0.3
69.28259	2.2
72.99178	0.5
73.02806	0.4
88.03963	0.3
91.03009	0.2
96.95875	0.4
98.20531	0.5
106.04054	0.3
111.08060	0.3
125.09649	1.6
127.11162	2.8
137.09621	2.8
148.05098	0.3
153.09090	1.4
155.10678	45.2
156.11046	2.4
163.26758	0.3
171.10173	57.9
172.10530	4.3
181.08629	0.9
187.11151	0.6
189.05478	0.4
190.06139	0.4
199.09685	7.5
200.09912	0.5
215.09067	0.3
217.10750	100.0
218.11096	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	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.78609	0.3
55.09260	0.3
56.32346	0.3
59.01238	0.6
70.84477	1.0
91.36706	0.4
135.13835	0.4
150.90265	0.4
165.12732	0.4
183.13826	31.2
184.14145	2.5
195.13837	23.9
196.14171	2.4
211.13345	1.1
213.14903	100.0
214.15250	9.1
214.17216	0.7
231.21335	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	213.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56479	0.3
54.64089	0.3
57.55981	0.3
59.01239	0.6
59.25364	0.3
66.11313	0.4
70.99084	0.9
113.33845	0.4
123.76051	0.3
127.49041	0.4
136.35432	0.3
153.37674	0.4
167.14320	1.1
168.48987	0.4
177.12749	0.4
183.13838	5.9
195.13834	18.1
196.14220	1.1
211.13351	1.3
213.14908	100.0
214.15230	9.1
214.17183	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	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01234	0.5
60.07163	0.3
60.55988	0.4
61.98690	0.5
69.03334	0.9
70.84705	0.9
79.91981	0.3
80.56419	0.4
83.04891	0.3
98.54453	0.4
103.85273	0.4
105.81961	0.3
155.10651	0.4
165.12733	0.4
167.10649	1.0
167.14346	1.6
173.00732	0.4
183.13832	15.2
184.14178	1.5
193.12282	3.4
194.12589	0.5
211.13333	100.0
212.13664	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	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90234	0.2
58.66483	0.2
59.01238	0.7
61.98691	0.9
65.00215	0.3
69.03316	0.8
80.02560	0.2
83.04909	0.5
95.01276	0.2
103.28043	0.2
104.57613	0.2
111.08076	0.3
123.04406	0.4
125.05959	0.3
137.02356	0.5
137.05948	0.2
137.09587	0.3
155.10687	0.5
165.12720	0.5
167.10704	0.9
167.14343	1.4
171.35498	0.2
175.31924	0.2
181.04997	0.3
181.12167	0.2
183.13832	14.4
184.14226	1.1
193.05035	0.3
193.12263	3.4
194.12634	0.2
195.92128	0.2
196.03648	0.5
211.05998	1.0
211.13338	100.0
212.07292	0.3
212.13681	9.0
230.41142	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	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
52.10563	0.4
57.03333	0.9
59.01258	1.2
65.01324	0.7
69.03338	0.9
69.17954	4.2
81.03361	0.4
83.04898	0.8
91.02837	0.5
97.02819	0.4
97.06487	1.3
106.04025	0.6
107.04896	0.4
125.09563	0.6
130.03960	0.6
135.04402	0.5
151.11200	11.9
152.11548	0.9
169.12257	100.0
170.12599	7.3
171.06674	0.9
183.13806	1.8
187.06183	1.0
195.10184	1.0
195.13857	1.6
213.01865	0.6
213.05746	0.7
213.07686	1.5
213.11276	16.1
213.14853	7.1
213.18581	1.2
214.05135	0.4
214.08882	0.7
214.11575	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	209.1176
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
56.92719	0.4
57.03331	2.9
57.41655	0.5
59.01249	100.0
60.01580	1.4
66.38305	0.5
69.56692	2.8
77.32449	0.5
80.02577	0.7
81.03351	1.1
83.86169	0.4
84.34571	0.4
85.14542	0.4
96.95924	1.5
97.06472	3.7
109.06486	3.5
121.02843	9.0
122.03230	0.8
123.04446	0.5
123.08042	0.6
124.04003	1.1
135.04483	0.8
139.20885	0.5
140.70364	0.5
165.05435	0.5
165.12766	3.5
194.05890	0.7
209.04535	2.2
209.08432	2.0
209.11757	14.2
210.12192	1.4
221.87634	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	209.1177
Annotation	Pulchellon
Peak:m/z	Relative Intensity
54.97336	0.8
55.76508	0.9
57.03321	5.8
58.00476	1.5
59.01243	3.0
60.22177	0.9
61.98700	4.6
65.00190	1.7
69.03315	2.6
70.14234	4.1
71.01255	19.5
71.04888	1.0
80.02542	1.5
81.03316	2.9
83.01251	2.4
83.04911	6.3
84.02032	2.4
85.02814	1.0
91.01766	1.0
92.99706	2.6
93.03321	2.3
94.02329	1.0
94.02834	5.3
95.01266	2.0
95.04897	2.8
97.02839	1.1
97.06467	5.1
106.04088	1.0
107.04887	1.9
107.48740	0.8
108.02063	1.1
109.02847	2.0
109.06429	1.1
110.84579	0.9
111.08036	2.6
120.02020	1.4
121.02845	100.0
122.02376	1.5
122.03056	5.0
123.00784	1.3
123.08097	1.6
124.03938	10.6
125.02299	1.7
125.09615	8.0
135.04419	3.0
135.08069	2.0
136.01570	1.4
136.98694	1.4
137.02316	2.0
137.05978	3.0
137.09619	1.7
139.00235	1.2
139.03874	1.4
145.10153	2.6
146.79315	0.9
147.08064	1.1
147.11699	2.6
150.03172	1.5
151.11191	23.4
152.11470	1.3
153.12724	3.6
160.68645	1.0
161.02368	2.9
161.09660	1.4
163.11189	8.1
164.98241	1.6
165.01802	1.3
165.05469	3.4
165.09006	1.5
165.12764	16.4
173.09639	1.6
178.99730	2.1
179.03421	5.2
179.10709	3.7
181.04877	1.5
181.12263	34.6
182.12607	2.7
183.29332	0.9
185.90393	0.9
191.07001	1.5
191.10710	16.1
192.11108	1.0
194.02113	3.7
194.05905	4.4
209.00836	1.5
209.04506	19.6
209.08093	4.3
209.11771	77.8
210.04756	1.1
210.12180	7.9
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	Jasmonic acid
Peak:m/z	Relative Intensity
52.87614	0.3
59.01237	0.8
60.22189	0.3
65.01315	0.5
71.01237	0.4
71.50361	0.6
72.86147	0.3
79.95614	0.9
80.02540	2.5
81.03332	2.2
83.04894	8.8
85.02848	0.4
91.02936	0.4
91.77708	0.3
93.03345	0.4
94.02868	1.6
95.01249	0.5
95.04885	1.7
95.41875	0.4
96.47759	0.3
97.02809	0.4
97.06471	1.0
109.02868	0.5
109.06444	0.7
112.48374	0.3
120.02047	0.4
121.02849	24.6
122.03198	1.2
123.00785	0.4
123.04421	0.8
124.03947	5.0
125.02338	0.5
125.05979	1.2
130.04008	0.4
135.04427	1.5
135.08064	1.1
136.01543	0.4
137.02330	0.8
137.05965	1.0
137.09572	0.5
139.03917	0.4
146.22792	0.3
147.11707	0.7
149.02357	0.4
150.03043	0.4
156.05612	1.1
161.02306	0.7
163.11186	7.1
164.11533	0.9
165.05486	1.5
165.09090	0.5
165.12759	4.7
166.02591	0.4
178.99780	0.4
179.03439	1.4
181.05014	0.5
181.12274	0.7
183.06659	0.9
191.10681	1.8
194.02147	1.9
194.05797	1.4
209.04544	4.9
209.11772	100.0
210.04875	0.5
210.07816	1.5
210.12120	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	209.1177
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
56.53500	0.3
59.01252	0.6
61.98701	4.9
66.34298	0.4
66.92832	0.3
69.03326	0.5
69.66615	2.3
70.90285	0.3
83.01288	0.4
83.04913	0.6
91.01761	0.6
92.99699	0.4
93.03374	0.5
94.02888	0.9
97.06483	0.4
104.57100	0.4
109.02805	0.4
118.94075	0.4
120.02075	0.4
121.02841	28.6
122.03131	1.7
124.03931	2.9
135.04460	0.9
136.01532	0.5
137.05984	0.9
161.02333	0.5
163.11166	0.4
164.94095	0.3
164.98210	0.5
165.05476	0.8
165.12752	0.5
166.02646	0.4
179.03403	1.3
181.04956	0.5
194.02083	1.0
194.05710	0.9
209.04552	4.6
209.11763	100.0
209.94850	1.4
210.12111	9.6
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	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03316	3.6
59.01235	2.8
61.98697	4.3
65.03805	0.9
66.03342	0.9
67.08385	0.8
69.03295	1.0
70.56708	1.3
71.01246	7.3
71.04896	1.4
71.79908	0.8
73.02832	1.3
78.52496	0.7
80.02509	0.9
81.03333	1.7
83.01250	3.7
83.04878	4.1
84.04440	0.8
84.80132	0.8
91.01802	0.8
92.99689	1.9
93.03322	2.5
94.02862	5.7
95.01260	1.7
95.04875	2.3
97.06448	4.4
108.02025	1.1
109.02836	1.1
111.04409	1.0
111.08046	2.2
121.02839	100.0
122.03162	3.7
123.00793	1.3
123.04449	1.4
124.03935	15.3
125.02330	1.2
125.09596	2.2
126.09932	0.8
134.03700	0.8
135.04413	2.8
135.08041	1.1
136.01515	1.9
136.98711	1.2
137.02275	1.5
137.05977	2.4
137.09628	1.2
139.03877	0.9
149.09622	0.9
151.00290	0.9
151.03917	1.6
151.11185	12.6
153.12772	1.8
161.02364	1.9
163.11220	4.7
164.98180	1.3
165.05467	3.6
165.09073	1.1
165.12762	11.6
166.02673	0.9
173.09505	1.3
176.04745	1.3
178.99835	1.4
179.03452	4.7
179.10669	3.7
181.05013	1.4
181.12248	16.8
182.12479	1.9
191.03419	1.1
191.07076	1.5
191.10724	8.3
192.11072	0.9
194.02106	3.0
194.05785	3.9
209.04492	20.4
209.06357	1.9
209.08171	4.3
209.11761	55.0
209.94891	1.4
210.04866	1.3
210.07634	1.9
210.12193	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	209.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46256	0.2
59.01248	0.2
64.20383	0.2
71.36335	0.2
78.46046	0.2
79.95591	1.2
83.04910	0.4
91.01735	0.2
92.95509	0.2
94.02874	0.6
95.95181	0.2
96.95891	100.0
97.06469	0.2
97.95827	0.4
105.43230	0.2
105.59769	0.2
121.02848	8.5
122.03161	0.2
124.03960	1.0
135.04436	0.3
137.05934	0.3
140.23508	0.2
145.50642	0.2
156.05566	0.2
165.05489	0.2
179.03455	0.3
183.06712	0.3
194.02119	0.5
194.05835	0.3
195.47644	0.2
209.04474	1.8
209.08476	40.8
209.11772	2.6
209.87683	0.2
210.05089	0.2
210.08846	2.3
210.12044	0.3
214.92744	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	209.0848
Annotation	octyl hydrogen sulfate
Peak:m/z	Relative Intensity
51.53362	0.2
55.70819	0.1
60.91623	0.1
70.25394	0.1
70.25755	0.7
74.96851	0.1
75.40229	0.1
79.95587	1.3
83.04910	0.2
86.59584	0.1
91.01796	0.1
94.02882	0.2
95.95118	0.2
96.95890	100.0
97.95802	0.4
118.14259	0.2
121.02847	5.2
124.03940	0.6
124.04794	0.2
152.60997	0.2
159.63278	0.2
176.04597	0.1
198.18509	0.1
208.20459	0.2
209.04504	1.0
209.08472	42.1
209.11736	1.2
210.08867	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	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
54.21669	0.1
58.02836	0.4
58.96787	0.1
59.01255	0.3
61.98688	0.2
70.65240	0.2
70.65567	0.3
71.01238	0.3
72.99169	0.1
73.58878	0.1
75.94114	0.1
81.57333	0.1
85.02802	0.2
89.99755	0.1
93.03360	0.1
99.00782	0.1
111.00719	0.2
115.00237	0.2
117.03322	0.2
133.06525	0.2
147.04372	0.3
149.05957	0.2
161.02328	0.2
161.05989	0.4
162.05424	0.1
162.89217	0.3
164.07040	0.4
177.01851	0.3
177.05458	0.2
187.03839	0.1
189.12773	1.8
190.02626	0.4
190.06281	0.1
190.13100	0.2
205.01337	0.5
205.05045	0.9
205.15907	100.0
206.08209	0.4
206.16248	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	206.0816
Annotation	Thalifoline
Peak:m/z	Relative Intensity
52.97346	0.7
59.01234	2.3
59.51562	0.7
65.99727	0.7
69.16950	8.1
71.91279	0.7
84.04447	0.8
85.02814	3.8
91.01781	0.8
93.03341	1.5
96.95898	0.7
99.97009	0.8
108.04436	1.3
119.05225	1.4
120.04437	82.1
121.02801	1.4
121.04775	3.5
123.04427	1.2
133.06531	0.9
134.05937	0.9
135.04399	1.2
137.67915	0.7
144.04358	0.8
149.02333	1.0
160.07553	5.0
162.09149	55.6
163.00287	0.9
163.03900	2.0
163.07446	0.8
163.09503	3.1
164.04657	0.7
164.07057	1.7
177.01819	7.6
188.03529	0.8
188.07108	11.5
189.07472	1.1
192.00487	1.1
192.04210	4.7
206.08154	100.0
207.02873	1.4
207.06555	3.3
207.08507	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	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
55.40534	0.7
58.02848	41.5
70.02855	13.3
70.79969	1.0
70.80299	1.5
72.00773	6.7
91.05412	15.4
135.04442	1.6
147.04420	39.1
148.04745	3.3
157.60170	0.8
162.09059	1.1
164.07079	100.0
165.07431	6.8
206.08171	33.3
207.08534	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	207.0656
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
50.86098	0.3
59.01260	1.6
59.35012	0.3
65.01281	0.3
69.26078	2.5
73.82678	0.3
75.00714	0.4
86.91690	0.3
89.42019	0.3
91.01756	0.4
93.03294	0.6
95.04868	0.9
105.03335	4.3
109.06431	0.8
121.02856	0.7
123.04343	1.1
133.02853	33.0
134.03191	2.0
135.04414	0.4
137.05920	0.3
147.04420	0.3
149.02364	3.4
151.03934	0.6
154.95621	0.3
155.72903	0.3
163.00342	0.4
163.03937	0.7
163.07596	0.7
163.11197	0.4
164.04689	2.3
175.66104	0.3
177.01854	18.8
178.02234	1.1
181.05093	0.4
192.04205	100.0
193.04544	7.6
193.06276	0.5
207.02953	1.6
207.06572	18.9
207.10274	0.8
207.13789	2.0
208.06833	1.1
214.60356	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	6.0
59.01255	60.7
70.21289	25.1
71.01245	62.8
72.99164	31.8
73.02808	10.3
75.00748	33.8
83.01243	9.6
87.00749	77.1
89.62018	6.2
96.99255	5.9
99.00757	21.6
99.04386	10.4
101.02335	16.9
111.00753	100.0
112.98679	12.9
115.00253	73.7
117.01816	10.3
124.98635	11.0
125.02331	30.2
127.00256	11.2
129.01802	12.7
136.17072	5.5
138.45615	5.6
142.99696	9.7
143.03377	17.2
143.51308	6.7
145.01335	7.7
154.99718	23.6
157.01363	6.8
182.19449	6.8
196.28635	6.1
205.03464	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.0
58.02834	1.6
59.01248	3.3
62.27126	0.6
67.01755	5.9
71.01260	3.0
71.48421	0.9
72.99177	3.2
73.02816	5.7
75.00739	1.2
81.03342	0.8
83.01263	1.4
85.02814	1.2
87.00751	46.3
88.01091	1.6
99.00735	1.4
99.04396	2.9
101.02334	0.7
111.00762	100.0
112.01117	3.2
115.00270	2.9
115.03845	1.1
117.03381	1.1
129.01859	0.8
130.99799	0.9
133.02817	0.8
133.06506	1.3
138.58531	0.7
143.03394	8.1
143.07057	0.8
145.01378	1.1
147.04382	1.0
154.99777	0.8
161.02342	1.1
161.06015	1.3
162.01875	0.7
163.03836	0.6
164.07123	1.5
173.00868	1.1
177.01855	1.2
190.02586	0.9
190.06297	1.1
205.01355	1.5
205.03339	1.1
205.04974	2.0
205.06883	0.8
205.08754	1.2
205.15913	3.2
206.08159	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	6.5
58.00449	3.4
58.02835	6.1
59.01248	57.5
59.84843	1.9
67.01749	3.5
68.99674	9.9
70.96230	2.3
70.96541	3.6
71.01254	86.2
71.04880	5.1
72.99184	41.1
73.02812	9.3
75.00742	41.3
81.03308	2.2
83.01262	11.0
84.99210	2.0
85.02834	4.4
87.00748	59.5
87.33162	2.0
89.02312	5.7
96.99174	8.8
99.00763	25.7
99.04378	4.3
101.02327	12.5
101.66100	2.1
103.00230	7.2
111.00764	27.2
112.98666	4.2
115.00259	100.0
116.00558	2.3
117.01813	12.3
121.02841	4.9
124.98711	11.7
125.02325	29.9
127.00257	10.2
129.01819	11.7
130.99727	4.7
133.02879	4.6
133.06487	2.3
142.99757	27.8
143.03441	2.3
145.01329	16.5
147.04379	2.5
154.99799	15.7
157.01329	2.5
161.02321	3.1
161.05969	4.3
164.07072	7.3
172.32996	2.2
173.00818	3.9
175.02394	7.3
177.05420	3.4
187.02304	2.4
187.03862	2.9
190.02534	4.0
205.01381	5.3
205.03391	7.6
205.04999	14.9
205.06877	4.1
205.12280	4.7
205.15869	15.3
206.04280	4.2
206.08095	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	203.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99523	0.3
57.03345	0.5
59.01247	1.9
61.98704	0.4
65.01316	1.0
65.54433	0.3
65.99722	1.0
66.00846	0.3
67.59408	0.3
69.03317	1.2
71.01262	1.1
71.06539	0.8
72.99173	0.5
77.80857	0.4
81.03352	0.5
82.03990	0.6
83.02392	0.4
87.00751	0.4
91.02863	0.5
97.02803	2.1
99.08006	0.5
101.81793	0.3
103.91918	0.6
106.03963	0.5
107.02370	0.5
108.04471	0.4
109.03979	0.4
111.32196	0.4
118.02923	0.5
119.02366	0.4
120.05583	0.6
121.02771	0.5
121.03989	0.8
125.09609	1.0
127.11176	13.1
128.11525	0.9
132.04443	22.7
133.03882	0.5
134.02364	2.7
134.03482	1.1
137.09584	0.7
139.11221	0.5
141.01866	0.4
147.04343	0.4
148.05051	0.9
148.95328	0.4
149.03441	0.5
155.10681	7.8
157.12247	50.9
158.03558	0.5
158.12569	2.8
159.04474	0.8
160.01581	0.6
160.05078	0.5
161.02278	0.5
161.04538	0.6
162.03003	0.5
162.05457	0.5
175.03865	0.9
176.03374	1.1
176.04590	1.0
177.02077	0.4
185.11751	0.5
189.01775	0.6
189.04221	0.4
201.11237	1.0
203.01845	1.4
203.03491	0.9
203.05602	1.1
203.12817	100.0
204.02911	3.4
204.06520	0.9
204.13144	9.3
219.87474	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	203.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.1
59.00957	1.1
59.01249	22.0
65.99757	0.7
69.03321	2.3
69.65330	3.2
69.65747	1.4
71.01254	1.9
83.04893	9.6
94.29086	0.6
97.02827	2.1
97.06448	0.9
98.20559	0.6
99.08028	3.9
104.72746	0.7
111.26483	0.6
125.05982	9.0
141.01851	1.2
141.09114	13.4
143.07034	100.0
144.07339	4.0
159.04514	0.6
159.06361	0.8
159.08018	0.9
160.01517	0.7
160.03964	1.1
175.03899	0.9
185.08134	1.3
186.26041	0.7
189.01904	1.8
203.01852	2.4
203.03473	1.4
203.05362	1.3
203.07312	1.0
203.09189	21.8
204.09521	1.5
211.00980	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	203.1283
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03323	0.4
72.55907	0.2
83.32543	0.2
97.02863	0.3
97.06492	0.3
98.20545	0.7
99.08031	0.6
111.27976	0.2
125.09615	1.1
127.11182	15.0
128.11513	0.7
135.18611	0.2
137.09610	0.7
139.11163	0.6
155.10686	9.2
156.11012	0.8
157.12253	51.7
158.12584	3.8
185.11771	0.9
201.11285	0.8
203.12825	100.0
204.13165	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	203.019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39104	1.9
59.01240	4.2
60.99155	2.1
65.84193	1.7
68.76681	1.9
69.03323	33.0
70.66489	6.1
71.01253	14.0
72.99194	3.7
77.06265	2.1
79.01764	2.3
85.02797	5.0
87.00744	6.9
95.01278	3.4
97.02826	53.8
101.02361	1.9
105.01785	2.2
115.00241	5.8
123.00793	2.0
129.01805	3.0
141.01839	17.9
203.01898	100.0
204.02269	6.2
205.60207	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	203.082
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
55.33876	0.8
59.01239	1.5
69.85915	2.9
72.00775	26.4
74.02343	33.3
74.54235	0.7
75.02652	0.8
98.20531	0.9
101.48381	0.7
116.04944	100.0
117.05306	4.7
124.82738	0.7
130.06554	3.2
142.06525	25.5
143.06865	2.2
159.09178	18.4
159.10519	0.9
160.09462	1.1
161.04710	1.7
175.03952	0.9
186.05547	4.0
203.03508	1.6
203.08205	58.1
204.02809	0.9
204.06668	0.9
204.08476	4.6
208.88118	0.7
214.43161	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	201.149
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
51.89711	0.3
54.64790	0.2
57.03308	0.5
58.94122	0.3
59.01252	11.6
61.98685	0.7
65.01318	0.8
65.99715	0.3
66.03352	0.8
71.01224	0.4
71.04898	0.3
71.29852	0.4
72.99199	0.3
73.02802	0.3
82.03969	0.5
83.12792	0.3
87.04390	4.9
92.02385	0.3
99.92459	1.2
106.04002	0.5
111.00758	0.3
116.92772	1.4
117.01866	0.4
117.03369	0.4
121.02829	0.3
121.05107	0.5
125.09592	0.6
130.03969	0.3
132.05559	0.8
133.04016	0.5
133.05046	0.3
139.11139	1.8
141.93517	2.1
145.02838	0.4
145.67439	0.3
146.07162	0.3
147.05530	0.3
148.05054	0.3
153.12660	0.3
155.14325	5.4
156.14676	0.4
158.03522	0.3
158.05974	0.3
159.02953	0.3
159.06628	0.4
160.05135	0.5
165.54256	0.3
173.02328	0.4
173.05948	0.6
174.06642	0.6
175.06186	1.0
183.10129	0.7
183.13817	2.2
199.13383	1.4
201.02304	1.0
201.05559	1.2
201.07619	1.2
201.11195	3.7
201.14896	100.0
202.05009	0.7
202.07161	0.4
202.08827	0.5
202.11563	0.3
202.15236	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	203.0191
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02271	0.7
55.01757	1.6
57.03334	3.2
59.01257	4.2
60.99170	2.4
65.99712	0.7
67.01758	2.7
69.03326	79.6
69.94529	2.7
70.03658	1.7
71.01253	54.0
71.61357	0.6
72.01579	1.7
72.99178	7.7
72.99783	0.6
73.02814	1.1
73.51458	0.5
75.00741	4.9
79.01762	5.8
79.95608	3.8
83.01254	2.2
85.02827	9.6
87.00750	14.9
95.01263	11.9
96.81461	0.6
96.95890	8.5
97.02831	100.0
98.03193	3.7
98.20459	1.1
99.00771	2.1
101.02297	0.8
106.03963	0.6
111.00768	4.7
113.02335	3.2
115.00262	9.2
115.03928	1.1
120.02079	0.6
123.00758	5.3
129.01836	5.1
131.04916	0.8
134.03505	0.8
141.01845	26.4
142.02203	0.9
147.04439	0.7
159.02914	1.7
159.04454	2.0
159.97498	1.3
161.02295	0.9
161.04581	0.9
175.03864	1.3
176.04524	0.9
185.00858	1.5
185.95381	0.7
189.04201	0.8
194.67897	0.7
203.01915	97.9
203.10793	1.1
203.12788	0.7
204.02185	5.5
204.06543	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	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03330	1.8
57.31867	0.3
58.00463	0.6
58.02835	0.6
59.01249	4.8
65.01307	1.5
65.99727	1.0
66.00842	0.6
66.03345	0.5
69.03318	2.2
70.35742	0.7
70.36144	0.7
71.01255	0.6
71.04887	1.3
72.99182	22.5
73.02799	0.4
81.03313	0.5
82.03989	0.5
83.04896	0.9
85.02815	0.7
85.06470	0.9
87.04389	5.1
89.01312	0.4
95.04886	0.4
97.06451	0.6
99.92437	0.4
105.04436	0.6
106.04011	1.0
107.08559	2.1
111.07999	0.5
118.04047	0.5
119.02393	0.5
121.04003	0.5
121.10124	1.3
125.09609	5.6
127.11185	4.4
128.11540	0.3
130.04010	0.6
132.05560	0.8
133.03964	1.0
133.05003	0.5
134.03497	0.6
135.08003	0.7
137.09613	1.3
138.70903	0.4
139.11198	3.5
141.93541	0.6
142.03984	0.5
145.02853	0.7
146.03600	0.5
148.05109	0.5
153.09106	0.5
155.10686	9.4
156.10959	0.7
157.12241	1.0
158.03519	0.8
159.03075	0.6
159.04420	2.4
159.06616	0.7
160.03918	0.4
160.05084	1.2
162.32664	0.4
165.09132	2.1
171.10161	1.7
173.05971	0.7
174.03003	0.6
174.06631	1.0
175.06212	1.0
183.10190	31.2
184.10603	2.3
191.46095	0.3
199.09706	1.5
199.70511	0.4
201.11259	100.0
202.05037	3.8
202.08844	0.5
202.11610	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	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.01742	0.5
57.03332	2.5
57.87035	0.5
58.48561	0.5
58.79990	0.6
59.01253	4.9
65.01302	0.5
65.99725	0.6
66.03359	1.1
67.01753	0.9
68.01327	0.6
69.03320	0.9
71.04887	1.4
71.20438	0.6
71.20786	1.0
73.02817	0.6
83.04890	2.0
84.02039	0.5
85.02834	2.9
87.04388	5.0
93.03333	0.8
95.04924	1.2
97.06467	18.5
98.06776	0.6
99.08034	10.8
100.08348	0.8
105.04407	0.7
109.06458	1.0
115.07483	0.7
125.09628	0.7
127.11144	3.2
137.09636	1.5
139.11195	10.9
143.07042	1.7
155.10649	2.1
157.12248	0.9
158.05998	0.7
159.04396	0.8
159.73938	0.5
160.05122	0.8
165.09152	1.1
173.02307	0.7
173.05995	2.1
174.06636	0.9
181.08650	2.6
183.10179	10.5
184.10474	0.7
201.05618	3.8
201.11258	100.0
202.04869	1.0
202.08763	1.0
202.11595	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	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.35827	0.6
57.03324	5.3
59.01244	8.5
64.01427	0.7
65.01324	1.2
65.99706	1.1
69.03298	1.1
69.82764	4.2
71.04879	3.2
73.23500	0.8
82.99578	0.7
83.04893	2.6
84.02032	2.5
85.02827	6.4
87.04384	7.5
89.01281	0.7
92.23026	0.7
95.04900	5.9
95.93045	0.7
97.06465	44.8
98.06786	1.2
99.08028	11.8
101.05926	1.3
103.03890	2.9
127.11172	8.0
130.04095	0.9
137.09612	3.2
139.11212	6.6
140.11478	0.8
146.62935	0.7
148.04951	0.9
155.10657	2.6
157.12183	1.0
160.05057	0.8
174.06606	1.6
175.06195	1.2
181.08559	1.4
183.10188	4.6
201.01863	1.0
201.11244	100.0
202.11549	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03325	0.7
58.00473	0.4
59.01238	0.8
65.01302	0.6
69.03309	0.4
71.01264	0.5
71.04869	0.4
71.38026	0.7
73.02833	0.5
83.04890	0.7
89.51492	0.3
127.03890	0.6
137.09619	7.4
138.09999	0.4
146.03484	0.5
153.09131	0.5
155.10678	100.0
156.11014	7.5
158.03511	0.4
171.10155	0.6
172.05060	0.9
181.08604	1.3
199.04457	0.3
199.06178	1.3
199.09706	11.1
199.13351	0.5
200.09984	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	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03324	0.6
59.01241	2.6
61.15041	0.5
61.98702	0.5
65.01324	0.6
70.14655	1.0
70.15059	1.3
71.04929	0.5
83.04915	0.6
85.02817	0.9
98.20512	0.5
99.00777	0.6
118.25963	0.4
127.11185	1.6
130.04036	0.5
132.26909	0.4
153.12737	1.7
155.10686	2.5
157.05132	0.4
159.31190	0.5
163.11221	1.0
169.12244	8.3
172.05055	0.6
181.12253	21.3
182.12567	1.5
197.11772	2.0
199.06055	1.5
199.13324	100.0
200.07144	0.4
200.13687	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	201.0764
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
59.01241	8.0
62.98227	1.6
65.10580	1.8
65.99731	2.5
66.03368	1.8
70.22797	1.9
71.01249	3.7
71.48814	2.2
71.49266	2.1
81.08021	2.0
81.08481	1.8
82.68657	1.8
85.02825	2.9
85.39046	1.8
87.04403	15.5
109.06446	2.4
111.08038	34.4
112.08394	2.0
121.06483	3.1
130.06531	2.8
139.07553	23.5
139.11188	5.8
144.04466	3.9
155.07018	12.9
157.08601	18.2
158.06000	5.0
159.02998	2.4
173.05971	3.3
183.06447	2.2
201.05576	7.6
201.07613	100.0
201.11235	11.2
201.14891	1.9
202.05042	2.5
202.08102	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.70554	0.2
55.01743	0.7
57.03323	0.2
59.01237	0.4
61.98698	0.9
69.03327	0.9
70.42238	0.9
71.04890	1.1
83.04870	0.3
85.76957	0.3
95.01270	0.6
95.04900	0.4
97.06467	14.5
98.06800	0.5
99.08022	4.1
109.02825	0.3
109.06465	0.7
111.08023	0.4
116.92741	0.7
121.02850	0.8
122.03626	2.4
123.00761	3.1
125.02332	0.7
125.09617	0.9
126.03111	1.1
126.90399	0.5
137.02370	0.4
137.09625	2.0
138.03185	0.3
151.11188	1.1
153.05518	0.6
153.12755	100.0
154.02603	0.3
154.13100	7.3
160.84068	0.5
162.83839	1.5
164.01042	0.3
166.99797	1.8
169.12256	0.3
178.99605	0.2
179.03484	0.3
179.10696	21.2
180.11034	2.2
182.02122	3.7
197.04504	1.1
197.08112	0.5
197.11760	7.1
197.80745	0.7
197.90227	0.3
198.12131	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	199.0969
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03311	2.0
59.01255	1.7
59.42520	0.6
65.01323	1.1
65.91934	0.7
65.99720	0.6
69.02962	1.2
69.03323	20.6
70.03635	0.8
71.01245	2.3
71.04886	1.7
72.98782	1.3
72.99180	20.0
73.02811	0.9
75.00732	0.8
81.03312	0.8
83.04895	1.4
85.00706	0.6
85.02808	2.3
88.23491	0.6
90.00811	0.8
93.03364	0.6
94.93111	0.6
95.04895	1.5
97.06492	1.0
99.04361	0.7
105.06991	1.8
107.08548	9.4
108.08907	0.7
109.02842	0.8
109.06477	1.3
111.00731	0.8
111.04384	0.7
111.08030	0.8
113.02331	1.7
113.05961	0.6
119.08555	2.2
123.08036	7.3
125.09588	2.2
127.03924	1.1
130.03998	1.2
133.06487	3.0
135.08086	3.3
137.06003	0.8
137.09575	1.9
142.04012	0.7
144.93707	0.6
145.03952	0.9
151.07516	1.8
153.09109	5.4
155.10693	4.4
157.05074	0.9
158.03500	0.9
163.07550	2.2
169.08598	5.7
172.05077	1.5
181.08609	11.8
182.08858	0.9
197.08002	0.9
199.06209	3.7
199.09685	100.0
199.13316	3.2
199.16930	2.1
200.03387	3.1
200.07228	0.8
200.10049	7.5
201.14886	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	195.1383
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
61.98695	1.2
69.78923	1.5
96.95909	0.3
104.20401	0.3
109.02855	0.4
109.06464	4.8
110.06824	0.3
111.08033	3.6
121.02812	0.5
122.03648	0.6
123.04390	0.6
125.09615	0.5
136.05200	0.5
137.02344	0.5
138.06758	0.8
139.07506	0.3
150.03102	0.9
150.72066	0.3
151.03893	0.3
151.07620	0.6
151.11220	0.7
152.91705	0.4
153.05479	0.3
160.84128	1.4
165.01872	0.7
165.05478	0.6
165.12816	0.4
167.14325	6.7
168.14633	0.6
179.10704	4.7
180.04292	1.4
180.11084	0.7
194.99242	0.5
195.02943	0.5
195.06593	1.2
195.13835	100.0
195.81052	0.5
196.14171	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03316	0.9
59.01239	1.9
61.98694	1.2
65.01322	1.4
67.01761	0.4
68.99660	0.6
69.03333	2.6
69.50677	0.4
71.04901	1.0
71.20717	1.2
80.19897	0.4
83.04906	1.3
95.01262	2.7
97.02834	0.7
97.06469	0.8
109.02800	1.4
109.06449	0.6
111.00808	0.6
112.01528	1.2
116.92743	1.5
121.02859	4.0
123.00769	12.4
123.08038	0.9
125.02346	1.6
125.05981	1.0
125.09609	1.2
126.90418	1.2
130.04077	0.5
135.08035	0.7
137.02333	1.0
138.03134	4.1
139.00163	0.6
141.09123	0.9
144.05580	0.6
151.11223	0.7
153.01843	0.8
153.05486	2.8
153.09076	3.1
153.12750	4.8
156.05605	0.7
157.05084	0.5
157.34431	0.5
160.84135	1.9
162.83839	5.1
166.99782	9.1
169.12267	15.2
170.03520	0.6
170.12589	1.2
171.06715	1.6
175.41547	0.7
179.03407	0.6
179.10698	1.8
182.02133	16.7
182.05667	0.6
183.02037	0.5
196.89352	1.0
197.04544	6.0
197.08083	3.5
197.11769	100.0
197.80730	3.3
198.03996	0.7
198.07802	1.2
198.12096	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	193.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	7.7
57.03314	9.1
59.01244	29.5
59.46088	2.4
60.65255	2.0
69.03329	19.5
70.90218	6.1
71.01250	53.9
72.99192	5.5
73.02817	59.1
81.03330	5.1
83.01258	19.9
84.02010	2.6
85.02821	61.4
85.99966	9.0
87.00754	54.2
88.01065	2.2
89.02314	3.5
92.21176	2.1
95.01257	14.0
97.02834	26.9
99.00751	47.1
101.02320	74.3
111.00756	10.8
112.01594	2.6
113.01219	4.7
113.02332	14.7
115.03886	3.4
117.01826	3.8
123.00790	4.9
124.01579	3.2
125.02345	19.6
131.03372	2.6
134.03632	7.6
140.01050	6.2
141.01833	21.7
142.02580	6.8
154.69485	2.1
155.03433	14.2
159.02913	5.3
161.04465	100.0
162.04794	5.2
175.06013	7.8
178.02652	7.2
193.05315	3.0
193.07104	71.5
194.07411	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	193.071
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
55.01753	10.1
55.74371	2.4
57.03321	12.7
58.00463	2.8
59.00958	3.4
59.01247	45.8
67.01794	2.7
69.03328	24.6
70.05590	9.6
71.00855	3.5
71.01253	70.4
72.99174	11.9
73.02820	66.8
75.00734	5.2
79.01778	3.4
81.03335	6.5
83.01250	28.0
84.01994	2.4
85.02821	79.9
85.99963	10.8
86.03186	2.7
87.00748	65.7
89.01180	3.5
89.02325	6.6
95.01252	17.5
97.02829	31.7
98.19913	3.1
99.00755	59.3
100.47247	1.9
101.02324	89.1
102.02668	4.5
111.00742	21.0
112.01565	3.9
113.01230	8.6
113.02335	17.9
115.03891	4.7
117.01816	3.6
123.00772	6.1
124.01543	3.2
125.02332	23.1
134.03601	9.3
137.02411	2.9
140.01045	8.6
141.01830	28.6
142.02652	3.4
149.06018	2.0
149.52095	2.0
155.03433	13.5
159.02864	3.2
161.04459	100.0
162.04842	5.3
175.06064	4.8
178.02618	8.6
191.05585	3.8
193.05154	5.4
193.07106	77.0
193.08855	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	193.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.8
56.88641	0.6
57.03311	1.4
58.00436	1.0
59.01256	7.8
68.99686	0.8
69.03324	4.1
71.01252	13.9
72.99171	1.4
73.02818	13.8
76.85171	0.6
81.03318	1.8
83.01260	5.8
85.02351	1.1
85.02824	14.2
85.99962	2.7
87.00751	14.0
87.03260	0.8
88.01096	0.7
89.02294	0.9
92.61873	0.6
93.03317	1.3
95.01275	4.2
97.02831	7.2
98.19801	2.9
99.00764	12.8
101.02325	20.9
106.04130	1.8
108.02046	0.7
109.02864	0.8
111.00768	2.4
112.01552	0.6
113.02316	3.9
117.01817	1.1
117.03356	0.9
121.02851	3.5
123.00753	1.6
124.01602	1.0
125.02342	6.5
133.02882	4.3
134.03632	100.0
135.03978	5.0
137.01274	0.8
137.02342	16.9
138.02615	0.9
139.03903	6.5
140.01028	1.4
141.01865	6.8
142.02602	0.8
149.02396	1.4
149.05994	16.5
150.03139	3.1
155.03380	4.8
159.02927	0.9
161.04466	34.5
162.04845	1.8
165.01840	0.9
175.06032	1.7
178.02640	53.3
179.03027	3.3
183.58548	0.6
193.01350	2.4
193.05023	15.6
193.07112	24.9
193.08855	1.5
194.05318	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	193.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76046	0.2
55.01752	0.9
57.01441	0.2
57.03323	1.2
58.00459	0.4
59.01249	3.9
60.01619	0.2
67.01765	0.3
68.04865	0.2
68.99709	0.3
69.03324	2.4
71.01252	6.2
72.01582	0.3
72.99176	1.0
73.02818	5.7
75.00724	0.3
79.01774	0.3
81.03319	0.6
83.01252	2.8
84.02014	0.2
84.37653	0.2
85.02822	7.5
85.99966	1.3
86.03186	0.2
87.00750	6.1
88.01077	0.3
89.02288	0.3
89.03841	3.0
93.03324	0.5
95.01265	1.6
96.10654	0.2
97.02825	3.1
98.20581	0.5
99.00758	5.5
99.01359	0.4
100.01601	0.2
101.02322	9.2
102.02660	0.2
106.04121	1.2
107.01337	0.2
107.04962	0.3
108.02085	0.3
109.04001	0.3
111.00753	0.9
112.01563	0.6
112.90936	0.2
113.02336	2.1
115.03872	0.4
117.01829	0.4
117.03348	5.2
118.03678	0.3
121.02839	0.8
123.00811	1.0
124.01584	0.3
125.02343	2.3
127.03851	0.2
133.02866	0.8
134.03630	100.0
135.03960	5.6
137.02350	2.6
139.03922	1.0
140.01045	0.7
141.01846	2.7
142.02586	0.6
149.02312	0.3
149.05978	4.6
149.09651	0.2
150.03084	0.6
150.06357	0.3
155.03387	1.4
159.02911	0.3
161.04465	13.0
162.04800	0.5
165.01833	0.4
173.04491	0.3
175.06018	0.9
178.02632	9.7
179.02943	0.8
191.05519	0.4
193.01317	0.3
193.05013	8.8
193.07108	9.2
194.05363	0.6
194.07426	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	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15758	0.5
53.76758	0.4
55.01759	1.2
56.72740	0.5
57.03320	0.8
58.00468	0.7
59.01245	5.3
69.03320	3.6
69.17317	4.8
71.01247	8.8
72.99178	0.5
73.02818	7.4
75.00737	0.6
75.73896	0.4
79.01773	0.5
81.03339	1.0
83.01259	3.6
85.02824	10.5
85.99960	1.6
87.00751	7.5
89.03847	0.5
93.03329	1.1
95.01264	1.4
97.02827	3.3
99.00751	7.8
101.02315	10.1
106.04128	1.8
111.00758	1.7
113.02299	3.0
115.03902	0.6
117.03345	0.9
121.02856	3.5
123.00765	1.1
124.01526	0.7
125.02339	3.8
133.02852	8.4
134.03629	100.0
135.03972	4.3
137.02341	17.6
138.02663	1.0
139.03909	5.8
140.01067	1.2
141.01840	3.4
149.02409	1.2
149.05978	17.2
150.03087	2.3
150.06342	1.1
153.45926	0.5
155.03415	1.6
161.04465	13.1
165.01840	0.8
166.06224	0.5
175.06044	0.7
178.02626	55.2
179.02948	3.0
191.05566	0.8
193.05002	21.4
193.07086	8.5
194.05370	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	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03322	0.6
58.00449	0.3
59.01251	2.6
60.78700	0.2
69.03331	1.2
69.92141	0.9
71.01248	4.1
72.99178	0.6
73.02813	4.0
75.00738	0.3
79.01768	0.3
81.03348	0.3
83.01255	1.3
84.89133	0.2
85.02816	4.0
85.99981	0.7
87.00751	3.7
89.02300	0.2
89.03836	3.9
93.03345	0.6
95.01250	0.9
95.89859	0.2
97.02821	1.5
99.00752	3.5
101.02319	5.0
106.04122	1.2
108.02056	0.2
109.02821	0.4
111.00768	1.1
113.02333	1.2
115.03889	0.4
117.03345	7.1
117.90398	0.2
118.03677	0.2
121.02838	1.5
121.06500	0.2
123.00739	0.5
123.04420	0.2
124.01571	0.4
125.02313	1.5
126.03870	0.2
133.02861	2.4
134.03625	100.0
135.03957	4.9
137.02335	7.7
138.02724	0.3
139.03896	2.8
140.01065	0.5
141.01826	1.6
149.02318	0.4
149.05981	10.5
149.09621	0.2
150.03116	1.2
150.06427	0.5
155.03412	0.8
157.26657	0.2
158.26436	0.2
159.02888	0.3
161.04462	6.7
162.04790	0.3
165.01804	0.3
166.06165	0.2
175.06067	0.3
178.02626	25.4
179.02960	1.8
191.05612	0.3
193.04997	16.4
193.07068	4.5
193.12216	1.2
194.05455	1.3
194.07098	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	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03309	0.7
59.01240	2.4
67.01749	0.8
69.03314	0.6
70.24131	0.2
71.01254	1.6
71.07168	0.4
73.02820	0.5
81.03329	0.7
83.01232	0.3
83.04888	0.5
85.02821	18.8
86.03174	0.4
87.00746	4.3
91.01779	0.2
93.03332	5.9
95.01216	0.3
99.04399	0.8
103.98045	0.2
109.02831	1.3
111.00765	3.0
111.04393	2.0
127.03888	3.8
129.01852	0.3
137.02393	0.3
150.51917	0.2
155.03375	0.3
163.00252	0.4
171.02893	0.8
173.04504	1.3
186.02811	0.2
191.05534	100.0
192.05865	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	191.0189
Annotation	D-Galactaro-1,5-lactone
Peak:m/z	Relative Intensity
57.03324	6.5
67.01759	2.8
73.36300	0.4
85.02822	26.5
86.03157	0.9
87.00748	43.8
88.01079	0.9
94.67608	0.4
98.20601	0.8
111.00762	100.0
112.01102	3.6
129.01833	5.8
130.99725	0.9
173.00797	2.7
191.01889	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.019
Annotation	D-Galactaro-1,5-lactone
Peak:m/z	Relative Intensity
57.03320	3.3
59.01239	0.2
64.40907	0.1
67.01750	0.3
71.06433	0.3
85.02822	20.4
86.03165	0.6
87.00749	30.5
88.01089	0.7
90.31994	0.1
96.06390	0.2
101.02325	0.6
103.03860	0.3
111.00764	100.0
112.01101	3.6
114.80712	0.1
116.50147	0.1
122.21266	0.1
129.01831	7.7
130.02141	0.2
130.99738	1.1
147.02884	0.6
154.99767	0.6
173.00835	2.6
191.01907	18.4
192.02303	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	191.0343
Annotation	Pisonin F
Peak:m/z	Relative Intensity
54.09307	0.3
55.54992	0.3
57.03313	0.9
59.01241	0.9
67.01774	0.5
71.01254	0.6
71.07230	0.8
85.02822	7.5
87.00750	6.2
88.32761	0.3
93.03333	1.5
101.89481	0.3
104.02589	0.3
109.02858	0.4
111.00765	10.5
111.04371	0.4
117.47675	0.3
119.04886	1.5
121.02843	100.0
122.03175	4.7
127.03922	0.7
129.01839	0.5
147.04428	6.4
148.04848	0.3
163.03944	0.8
173.00890	0.3
176.01045	1.3
191.01868	1.5
191.03473	6.9
191.05539	17.7
192.03378	0.3
192.05939	1.0
195.70013	0.3
203.23761	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	189.0762
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
52.75897	0.7
57.03303	0.9
58.50890	0.6
59.01254	2.9
65.01302	1.4
65.99716	1.9
70.02884	0.9
71.04887	4.1
71.49496	1.0
72.63835	0.7
74.28690	0.7
83.04900	1.1
87.00748	0.7
89.13827	0.7
92.02397	0.7
99.08032	33.9
100.08382	1.5
101.05988	1.0
104.13744	0.7
106.04018	1.4
117.03341	4.3
118.02861	0.8
119.02385	1.6
120.04449	1.8
120.05614	0.8
121.03970	1.5
124.67704	0.7
127.07537	34.8
128.07892	1.7
129.05466	100.0
130.05826	4.2
133.02844	0.9
135.01947	0.9
143.06981	1.1
145.02824	1.9
145.08650	5.4
146.02319	0.8
148.04988	1.0
161.01088	1.5
161.02357	19.8
161.05952	1.0
162.02925	2.6
166.30533	0.7
171.06512	5.4
189.01857	27.6
189.03777	1.5
189.05602	2.7
189.07613	37.4
189.12785	0.8
190.02350	1.4
190.04900	1.5
190.07986	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	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	6.8
59.01258	2.6
62.47580	0.4
64.25752	0.4
64.38551	0.4
67.01757	2.7
67.65441	0.4
69.03320	0.4
71.01249	1.4
71.23560	0.9
72.99195	0.6
73.02816	0.7
75.54875	0.5
85.02821	35.6
86.03159	1.4
87.00747	47.1
88.01068	1.0
93.03314	3.0
99.00768	0.6
101.02324	1.1
104.02521	0.5
109.02840	1.1
111.00761	100.0
111.04357	1.1
112.01088	3.8
119.04958	0.9
120.04288	0.5
127.03907	1.8
129.01830	6.4
130.99796	0.9
135.04459	0.5
144.73364	0.4
147.02962	0.9
147.04405	1.4
148.81238	0.4
154.99736	0.6
173.00804	2.4
173.04434	0.9
176.01086	2.7
191.01910	12.4
191.03592	2.0
191.05527	51.5
191.10667	1.1
192.03000	0.4
192.05806	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	187.1331
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
50.91822	0.6
55.01757	0.8
57.03322	1.5
57.93000	0.6
59.01249	3.1
60.54826	0.6
61.98709	2.7
65.01327	0.7
69.03326	0.6
69.34422	5.4
71.01266	1.6
71.04877	1.4
71.66517	0.7
73.02819	1.0
75.00739	0.7
83.04916	1.1
84.88823	0.5
85.35297	0.6
87.00725	0.7
87.04394	1.0
90.97021	2.8
96.99215	0.8
97.06465	5.5
98.19707	0.7
111.08055	1.0
113.09616	1.2
118.02901	1.8
123.08022	3.4
125.05990	1.9
125.09612	39.8
126.09965	2.6
132.98087	2.0
139.11165	3.8
141.12750	100.0
141.86708	3.3
142.13086	6.3
143.07103	1.0
143.10655	1.1
144.04492	2.0
159.04449	2.5
159.87810	1.8
160.03915	1.1
160.05045	1.3
168.88872	1.4
169.08626	1.8
169.12305	1.8
185.11780	0.9
186.95511	2.3
187.03931	2.8
187.06219	4.4
187.07663	2.9
187.09708	19.2
187.13310	78.7
188.03477	2.0
188.10045	1.0
188.13666	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	185.1176
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03316	1.5
59.01254	1.3
63.51739	0.8
65.01303	1.7
69.03313	2.4
78.60701	0.8
78.95786	0.9
83.04888	2.3
85.06441	1.0
87.00743	9.8
87.01590	0.9
97.06477	1.5
116.02432	0.9
121.05155	1.6
123.08127	1.1
139.11180	44.3
140.11485	2.5
141.05460	2.3
141.09149	4.7
141.12766	1.2
158.03493	2.2
167.10626	1.0
171.63008	0.8
185.04556	2.1
185.08211	2.7
185.11751	100.0
186.12086	9.0
198.15604	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	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
51.27003	0.1
57.03322	4.2
59.01248	0.3
59.47818	0.2
65.01307	0.8
65.99716	0.7
67.82081	0.2
69.03323	0.5
69.43700	0.3
69.44106	0.9
71.04893	0.3
80.02551	0.4
81.32776	0.2
83.04896	0.8
87.00822	0.2
91.02905	0.4
92.02374	0.2
95.04925	0.8
97.06470	12.3
98.06815	0.6
100.67051	0.2
102.38904	0.2
106.03939	0.3
117.04552	0.2
118.02911	0.3
118.03993	0.5
119.02398	0.4
123.08047	6.6
124.08406	0.3
125.09614	100.0
126.09947	6.2
130.04051	0.4
132.05617	0.3
133.04019	0.8
133.04900	0.2
134.03552	0.3
142.03857	0.2
143.10669	2.2
144.04370	0.3
144.11029	0.2
145.04015	0.3
145.05074	0.4
146.03497	0.2
159.04395	0.3
160.03871	0.2
160.05072	1.6
161.03436	0.3
161.04596	0.3
169.08620	2.2
170.08897	0.2
187.06270	1.7
187.09682	40.3
188.10027	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	183.1019
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
53.58817	2.0
57.03323	11.0
59.01243	7.0
65.01321	6.5
65.99712	3.3
67.01751	2.1
69.03322	10.9
71.01250	3.3
71.04889	4.9
71.45398	2.6
83.04893	4.6
85.02820	2.6
85.06448	6.6
89.01323	4.3
90.00853	2.6
95.01246	3.1
96.54742	1.7
97.02841	3.6
97.03951	1.7
97.06490	2.3
98.02354	2.6
98.05963	1.8
101.65644	1.5
107.08543	15.0
111.04427	2.0
112.03915	1.7
115.02932	3.3
121.06470	4.3
121.10121	7.6
124.01553	4.2
124.03939	2.4
130.03987	3.9
132.05568	2.3
137.09563	3.0
139.07565	3.6
139.11186	21.4
140.07089	2.6
141.01845	4.0
142.03970	3.5
143.04848	3.5
144.04333	2.6
145.59657	1.8
148.66635	1.9
152.98175	4.2
155.03525	3.4
156.05640	8.7
157.03970	2.6
157.05125	14.8
167.01628	2.0
167.88889	1.9
168.00496	9.1
168.03061	1.7
173.34596	1.7
183.01480	2.4
183.02957	7.6
183.04352	2.1
183.06659	14.5
183.10191	100.0
184.06172	5.8
184.10561	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1019
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
57.03316	3.3
57.12421	0.9
59.01233	1.5
65.01304	1.1
67.01737	1.3
69.03323	12.0
69.73096	1.9
69.73499	4.3
71.01260	1.5
72.99178	25.6
75.00751	1.0
81.03339	1.0
82.13644	0.7
83.01214	0.8
83.04881	3.6
93.03308	2.0
95.01269	1.3
95.04872	1.3
97.02798	1.4
100.77031	0.8
105.94010	1.2
108.05670	3.1
111.00764	1.9
111.04388	1.1
115.02909	1.2
119.08556	8.4
121.06487	1.8
121.09298	1.3
121.10115	17.9
122.10436	1.8
123.00794	1.3
123.04349	1.1
124.01537	2.8
124.03860	1.6
135.08055	2.5
137.09616	88.2
138.09952	5.1
139.03926	1.2
139.07570	1.4
139.11183	1.6
140.07079	1.8
147.08058	2.1
152.98140	1.4
156.04370	0.8
156.05566	3.9
157.05118	3.0
165.01872	1.1
165.09116	27.3
166.09511	1.4
168.00548	4.9
183.02904	2.1
183.06706	6.5
183.10179	100.0
184.06100	3.2
184.10565	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01267	0.5
59.96059	0.4
64.82378	0.4
68.74558	0.4
69.13908	3.7
69.14323	1.4
72.34800	0.4
83.04872	0.5
84.76407	0.5
97.02838	0.6
98.20580	0.9
111.04404	0.6
112.03873	0.6
124.01534	0.9
124.03941	0.8
139.07524	0.9
156.05627	0.6
157.05125	1.3
168.00551	1.8
175.64093	0.5
181.04030	0.5
183.02914	1.1
183.06593	2.6
183.10500	2.2
183.13823	100.0
184.06117	0.8
184.14149	8.4
196.89992	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	185.0812
Annotation	Dihydroaspyrone
Peak:m/z	Relative Intensity
59.01261	3.2
64.13351	0.7
65.01331	0.8
69.03315	0.8
69.53606	5.1
71.01249	6.5
87.00748	100.0
88.01064	1.7
97.06451	3.7
123.07999	0.9
141.05469	15.4
141.08084	1.2
141.09108	10.8
142.05859	0.7
185.04485	0.8
185.08131	7.5
185.11758	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	185.1175
Annotation	2-Oxodecanoic acid
Peak:m/z	Relative Intensity
57.03307	3.8
59.01252	10.8
59.02060	1.4
61.98703	3.5
65.01316	2.4
69.03329	3.8
69.28067	14.4
71.04894	2.6
72.04397	1.5
72.99179	60.3
78.95776	1.6
83.04887	3.5
85.02811	2.7
85.06434	2.5
87.00741	1.7
95.04903	3.6
97.02828	3.4
97.06486	5.0
98.19775	3.4
99.00803	1.9
99.04386	2.3
99.08038	2.7
99.92423	1.9
111.00713	1.9
111.04446	1.8
113.02326	1.8
113.05976	2.8
113.09640	1.6
115.91969	2.8
121.05104	8.7
123.04413	3.5
123.08044	3.9
125.02317	1.8
125.09651	2.4
139.10158	3.4
139.11189	48.4
140.11537	2.3
141.09125	17.1
141.12733	4.6
142.08588	2.1
144.05563	4.3
158.03526	3.0
158.07196	2.2
159.06706	2.1
160.39900	1.8
167.10698	100.0
168.11012	7.4
185.04550	5.4
185.06082	2.1
185.08290	8.6
185.11772	87.2
185.15376	5.5
186.01723	2.3
186.07774	2.6
186.12056	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	179.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.3
57.03312	0.4
58.00462	0.2
59.01248	3.5
63.48840	0.2
65.99717	0.2
68.99664	0.2
69.03323	1.7
71.01252	6.2
71.20100	0.3
72.99174	0.5
73.02813	2.4
75.00748	0.5
78.95785	0.9
79.01724	0.2
81.03339	0.4
83.01262	1.5
85.02296	0.3
85.02823	5.2
87.00749	22.9
88.01099	0.7
89.02309	1.4
89.03841	0.2
91.05420	0.5
93.03348	0.3
94.02861	0.2
95.01263	0.6
97.02826	1.9
99.00755	5.5
101.02328	2.4
101.48438	0.2
106.04066	0.3
107.01306	0.4
107.04901	1.7
108.02070	0.4
109.02847	0.9
109.03842	0.3
110.02359	0.2
111.00765	0.5
113.02309	1.2
117.01819	4.5
117.03282	0.4
118.03995	0.2
121.02847	0.4
122.03558	0.2
123.00740	0.4
123.04432	0.3
125.02335	2.9
126.02767	0.2
129.01849	0.5
133.02895	0.2
134.03638	5.3
135.04413	100.0
136.01556	0.3
136.04749	6.0
137.02417	0.4
137.03461	0.2
137.04558	0.2
141.01817	1.8
146.24609	0.2
147.02898	0.2
149.02377	0.4
151.03897	0.3
151.07547	0.5
151.76115	0.2
152.75159	0.2
154.49103	0.2
157.04556	0.2
159.02878	1.2
161.04463	13.8
162.04794	0.6
164.01060	1.2
164.04701	0.7
177.03970	0.6
178.99855	0.6
179.03426	12.7
179.05525	14.3
179.06972	1.0
179.10648	0.4
179.81165	0.2
180.03922	1.0
180.05922	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	175.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53733	0.7
57.03309	2.1
59.01242	6.8
61.20457	0.7
68.92080	0.7
70.83523	1.3
70.83857	0.8
71.01263	1.2
71.04868	1.4
72.25479	0.6
85.06463	48.9
86.06797	2.2
87.04397	3.0
91.97705	0.7
93.03309	0.8
113.05966	40.2
114.06308	2.0
115.03893	100.0
116.04205	3.5
117.01713	0.6
129.05481	2.6
131.07022	7.7
132.07425	0.8
133.01598	1.0
148.03874	0.7
157.05006	8.1
175.03705	1.4
175.06042	49.4
176.03459	2.4
176.06413	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	175.0604
Annotation	2-Isopropylmalic acid 
Peak:m/z	Relative Intensity
55.03403	0.2
57.03334	1.1
57.38696	0.2
59.01252	4.2
70.25498	0.8
71.01254	0.3
71.04894	0.5
73.02800	0.2
85.02807	0.2
85.06463	44.8
86.06802	1.7
87.00764	0.3
87.04389	1.7
107.50882	0.2
112.43990	0.2
113.05972	40.8
114.06299	1.5
115.03896	100.0
116.04232	3.9
129.05461	2.0
131.07039	8.2
139.47015	0.2
157.04970	9.4
158.05299	0.3
175.06041	51.9
176.03378	0.9
176.06348	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	175.112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18086	0.6
57.03318	1.7
57.15812	0.6
58.29223	0.6
59.01252	3.8
59.61752	0.7
65.01313	5.2
65.03824	0.7
65.82175	0.6
65.99712	2.5
66.00818	0.7
67.02859	1.4
68.01276	1.5
69.03322	0.9
71.01247	5.8
71.49250	0.9
72.01579	0.6
72.99184	1.4
73.02798	1.0
75.35229	0.5
81.03315	0.9
81.04437	0.6
82.02884	0.7
83.01257	0.9
83.04896	8.2
85.02814	1.7
85.06466	1.8
87.00751	11.0
91.01840	0.6
91.02878	1.9
91.05410	2.6
92.02407	0.9
93.03310	1.0
93.06963	6.0
95.04870	1.0
99.00766	0.7
105.04473	1.8
105.07006	0.7
106.03996	3.2
107.02394	1.9
113.05946	2.0
115.00256	8.1
115.03905	4.2
118.03999	1.2
119.03491	0.7
119.04887	3.9
120.05664	1.1
121.03976	2.0
122.02385	0.7
129.07333	0.6
130.04077	1.1
131.03458	0.7
131.04971	1.3
131.07002	0.7
132.02049	3.6
132.05608	1.9
133.01569	2.8
133.04013	1.4
133.05086	2.6
133.06471	2.1
133.10117	10.0
134.03503	5.6
134.10464	0.6
135.01874	0.9
144.05687	2.5
145.05225	0.9
145.06485	12.5
146.06779	0.7
147.04427	1.0
147.08034	1.5
148.01472	0.7
148.03984	1.1
148.05061	4.8
149.03481	1.8
149.04588	0.9
157.05107	1.2
157.06454	1.2
157.10115	3.1
158.07275	1.2
159.08072	12.2
160.01550	6.5
160.08849	61.4
161.01053	1.8
161.09174	5.5
173.09634	9.2
174.10037	1.0
174.88907	1.3
175.02437	3.2
175.03897	3.8
175.06105	7.3
175.07629	3.2
175.11197	100.0
176.01115	0.8
176.03372	8.1
176.04573	1.1
176.06758	0.6
176.11539	11.3
194.77876	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	175.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	9.7
58.00446	5.9
59.01251	40.4
62.10453	3.2
63.65273	2.7
67.01734	4.1
68.99680	13.3
69.03321	21.5
70.38122	3.6
70.95811	4.5
70.96159	6.6
71.01252	54.3
72.00768	4.7
72.99175	19.6
73.02822	14.8
75.00723	8.6
78.95756	3.2
83.01254	14.0
84.02036	4.4
85.02828	30.0
85.06471	5.4
87.00745	100.0
87.04386	3.4
93.03326	5.9
95.01266	5.4
96.99201	5.6
99.00734	15.0
101.02316	6.5
111.00755	7.3
113.01195	8.3
113.02282	18.0
113.05960	4.1
115.00262	33.9
115.03866	8.0
121.00195	3.6
124.01514	4.3
124.98692	10.4
125.69201	2.7
127.00248	13.3
129.01837	9.1
131.03404	5.2
140.61737	3.1
147.04417	4.6
150.33167	3.1
157.01282	7.1
157.05069	3.4
175.02347	13.6
175.03885	13.5
175.06075	24.2
175.07468	6.9
176.01096	3.6
176.03358	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	173.1175
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
55.01746	0.4
55.20489	0.2
57.03308	0.9
58.00472	0.4
59.01234	1.0
60.14550	0.2
60.99180	1.1
62.45760	0.2
65.01309	1.2
65.03836	0.6
65.99704	0.4
66.48899	0.2
67.01411	0.4
67.01759	6.4
67.02885	0.3
69.03323	1.6
71.01255	2.7
71.04883	0.3
71.49287	0.4
72.99161	0.6
73.02818	7.2
73.21538	0.2
74.03149	0.4
81.03313	1.4
83.04900	4.1
85.02811	2.1
89.01367	0.3
91.02878	0.4
92.20850	0.2
93.03333	38.2
94.03677	1.7
97.06454	0.3
99.00771	2.3
99.04388	2.1
101.02289	0.4
105.04428	0.4
106.03947	0.5
107.02404	0.2
109.02817	0.7
111.00750	2.1
111.04401	7.0
111.08031	1.3
112.04697	0.4
115.00210	0.3
119.02402	1.3
125.09608	0.5
127.03883	0.3
127.11180	11.7
128.11488	0.5
129.01811	0.9
129.05450	0.2
130.04028	0.3
130.06502	0.8
130.29657	0.2
131.02470	0.3
131.03502	0.6
132.05591	0.4
137.02338	3.5
138.02635	0.3
143.03383	0.8
145.02867	2.9
146.03522	1.8
146.07204	0.3
155.03441	1.7
155.10695	2.3
159.03111	0.3
171.10220	1.2
173.02350	3.9
173.04500	6.1
173.11745	100.0
174.02930	0.9
174.05359	0.3
174.06642	0.6
174.12083	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	173.0811
Annotation	CHEBI:87267
Peak:m/z	Relative Intensity
52.81958	0.5
55.01751	0.5
57.03328	2.6
58.00457	0.7
59.01249	34.3
60.01598	0.6
60.99170	3.2
61.59592	0.5
65.01311	3.2
65.03828	1.0
65.99709	1.4
66.00838	0.8
67.01756	18.9
68.99680	0.8
69.03322	4.8
71.01252	7.7
71.04896	1.0
72.00735	0.5
72.99190	1.8
73.02816	19.9
74.77351	0.5
79.23330	0.6
81.03320	3.3
83.01266	0.7
83.04897	9.6
84.05210	0.6
85.02821	5.2
85.06460	6.5
88.55877	0.5
89.01292	0.9
90.00874	0.5
91.02931	1.2
91.28022	0.4
93.03334	100.0
94.03664	5.1
95.01260	1.0
97.02843	0.7
99.00761	6.3
99.04386	5.8
101.02325	0.6
106.03976	0.6
109.02844	2.3
111.00767	5.3
111.04407	17.8
111.08047	5.6
112.04697	0.7
113.02310	0.8
113.05968	4.6
113.51407	0.5
115.03883	0.5
117.03285	0.6
119.02429	2.5
119.03177	0.5
129.01842	1.9
129.09119	0.6
130.04002	1.2
131.03569	1.1
131.07033	35.3
132.05533	0.7
132.07373	1.9
133.03987	0.6
134.91771	0.5
135.40936	0.5
137.02348	9.1
138.02719	0.6
139.43654	0.5
143.03441	1.8
145.02861	6.7
146.03467	4.2
147.01872	0.7
155.03352	3.8
155.07089	0.7
158.03566	0.9
161.98402	0.5
173.02364	11.5
173.04512	11.4
173.05836	0.5
173.08110	3.0
173.11865	0.7
174.03107	4.1
174.05406	0.7
174.06673	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	173.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65969	0.2
53.57479	0.2
55.01751	0.2
57.03049	0.4
57.03322	6.2
58.01429	0.2
67.01759	8.1
68.02097	0.3
68.99696	0.3
69.81522	1.2
71.01251	2.3
72.99177	0.5
73.02806	1.4
83.01268	0.8
83.04887	0.5
85.02823	14.6
86.03164	0.5
87.00735	0.3
92.26302	0.2
93.03338	3.5
99.00729	1.1
101.02327	0.5
104.01179	0.2
111.00762	100.0
111.04383	1.4
112.01099	4.5
112.98674	0.7
117.80217	0.2
124.98672	0.5
129.01820	2.7
137.02318	0.8
142.99783	1.5
147.13934	0.2
154.99796	0.7
155.03397	0.4
173.00835	0.8
173.04486	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	173.0083
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.51061	0.4
51.64196	0.4
55.01760	2.8
57.01739	0.4
57.03323	6.9
58.00446	0.8
59.01252	4.1
60.34842	0.4
60.99185	2.1
60.99441	0.4
65.03815	1.0
67.01760	19.5
68.02060	0.5
68.99686	0.8
69.03326	4.7
70.77934	1.1
70.78258	0.5
71.00852	1.0
71.01254	21.3
71.04883	1.2
72.99180	4.5
73.02817	30.4
77.76134	0.4
81.03339	4.4
83.01258	3.6
83.04894	11.6
85.02826	14.3
87.00753	2.0
93.03334	100.0
94.03669	3.8
96.99174	0.7
97.02853	0.6
99.00755	13.1
99.04401	9.2
101.02318	1.9
103.91944	0.4
109.02840	2.1
111.00764	72.1
111.04400	25.3
111.08041	5.0
112.01096	2.9
112.04759	1.3
112.98691	3.3
113.02377	0.7
115.00259	1.6
115.03882	0.5
123.00692	0.4
124.98690	5.0
129.01830	5.3
129.05455	1.0
133.33940	0.4
137.02345	14.0
138.02676	0.5
142.99762	8.1
143.03407	2.7
145.02849	2.1
146.02394	1.1
146.03508	0.4
152.91188	0.5
154.99745	2.8
155.03403	6.3
173.00847	2.6
173.02370	3.5
173.04478	12.9
173.05998	0.7
173.08075	2.2
173.11821	0.9
174.01852	1.6
174.03171	0.9
174.05495	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	172.0972
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01757	0.5
57.03320	1.5
58.02844	2.4
59.01252	1.4
59.44090	0.3
60.99180	1.4
65.01326	1.3
65.03828	0.9
65.89829	0.3
65.99724	0.4
67.01761	10.3
69.03323	3.0
71.01244	3.2
71.04898	0.4
71.36617	0.8
72.99189	1.3
73.02818	11.4
81.03324	2.5
83.04895	5.4
85.02824	2.1
93.03335	58.4
99.00766	3.9
99.04404	3.1
106.03996	0.4
109.02818	1.0
111.00741	1.6
111.04410	11.1
111.08035	2.5
113.02312	0.4
115.00253	0.5
119.02406	0.8
122.64509	0.3
123.00793	0.4
128.10706	7.0
129.01826	1.2
130.08630	100.0
131.08978	4.7
137.02342	6.1
141.23680	0.4
143.03426	0.9
144.04457	1.2
145.02878	2.9
145.05080	0.7
146.03494	1.1
155.03400	2.6
172.03844	0.9
172.05023	0.4
172.09674	15.7
173.02318	4.8
173.04514	8.0
173.06021	0.6
173.08170	1.6
173.09975	1.2
173.11658	0.6
177.47621	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35732	0.4
55.01744	1.9
55.81725	0.5
57.03324	4.2
58.00458	0.7
59.01239	2.9
60.99175	2.5
60.99440	0.4
65.03825	1.8
67.01759	16.4
68.99657	0.6
69.03320	4.6
71.01254	14.5
71.04903	0.7
71.48521	0.6
72.01584	0.4
72.99175	2.6
73.02816	25.8
74.03133	0.6
75.00752	0.5
81.03331	3.8
83.01251	1.3
83.04895	11.5
85.02821	14.2
87.00748	1.6
93.03331	100.0
94.03660	4.3
95.01257	0.6
96.99179	0.4
97.02811	0.7
99.00750	9.5
99.04389	7.5
101.02306	1.5
101.46141	0.4
109.02832	2.4
111.00761	42.9
111.04400	19.9
111.08048	4.6
112.01089	1.8
112.04707	1.0
112.98676	0.4
113.02319	1.3
115.00251	1.3
115.03899	0.7
117.03313	0.7
124.98690	1.8
125.29861	0.4
129.01817	4.1
129.05469	0.6
129.09077	0.6
137.02341	11.7
138.02721	0.7
142.99756	3.3
143.03374	1.9
145.02856	6.0
146.03345	0.7
154.99762	1.0
155.03401	5.3
155.06909	0.4
167.41444	0.4
173.00864	1.3
173.02359	9.7
173.04478	12.6
173.05931	0.7
173.08084	2.8
173.11732	0.9
174.03198	2.4
174.05490	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	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11518	0.4
53.06675	0.4
55.01752	0.5
56.33957	0.4
60.15430	0.5
65.01322	3.2
69.03336	0.6
70.64117	1.4
78.23138	0.5
81.04463	0.6
89.01328	1.6
99.08022	1.0
105.04478	0.7
106.04002	0.9
109.02804	0.6
115.91943	0.7
125.09615	3.2
127.03915	0.8
127.07566	1.1
127.11171	7.0
128.11540	0.5
129.04420	0.6
130.03981	1.9
130.08566	0.7
144.01886	1.0
144.04497	0.8
144.05568	1.7
145.05020	0.6
153.09105	1.5
168.93877	0.5
171.01846	1.8
171.06676	3.6
171.10173	100.0
172.04973	0.9
172.06296	1.1
172.10516	5.4
184.66852	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	172.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24483	0.5
53.80415	0.5
55.01759	0.9
57.03325	2.4
58.02840	1.3
59.01244	2.2
60.99168	2.0
65.01309	1.4
65.03825	1.3
66.00848	0.5
67.01756	14.1
69.03335	4.1
71.01248	4.8
71.04886	0.8
71.49461	0.8
72.99178	1.4
73.02814	13.9
79.61530	0.4
81.03329	3.3
83.01237	0.8
83.04894	7.2
85.02824	3.8
87.00745	0.6
89.01328	0.5
93.03336	75.9
95.37777	0.5
97.02816	0.7
99.00754	4.0
99.04407	4.0
101.02320	0.7
105.04450	0.6
106.04004	0.6
109.02831	1.8
111.00742	2.6
111.04401	13.5
111.08039	3.7
113.19067	0.4
116.02453	0.7
119.02393	0.8
128.03427	0.5
128.10698	2.0
129.01813	1.4
130.02759	0.5
130.04034	1.3
130.08632	100.0
131.03484	0.8
131.08978	4.3
137.02332	6.8
143.03474	1.0
144.04436	1.8
145.02852	3.0
145.03906	0.7
145.05109	1.4
146.03505	2.0
155.03413	3.2
172.03896	1.1
172.06252	1.1
172.09647	11.9
173.02350	4.9
173.04500	10.9
173.05992	0.7
173.08099	1.7
173.10007	0.9
173.11784	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	171.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06121	0.5
54.65133	0.5
59.96849	0.5
70.53044	2.0
70.71697	0.5
78.95794	0.9
89.02309	0.6
99.00850	0.6
99.71160	0.6
109.02844	0.8
111.28112	0.6
125.05949	0.6
125.09617	2.9
127.07551	1.0
127.11183	6.5
144.04404	1.0
153.09099	1.8
171.01891	2.7
171.10185	100.0
171.13582	2.8
172.10576	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	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69272	0.3
55.01747	0.5
57.03322	0.3
59.01246	0.5
61.98676	0.4
67.14590	0.3
68.99683	0.4
70.37835	0.8
71.01252	0.4
85.02837	0.4
97.06465	0.3
99.04389	0.4
99.08004	0.9
99.92488	0.7
109.02851	1.1
109.06471	0.4
123.08037	0.5
124.98655	0.3
125.09618	3.2
127.03946	0.6
127.07530	1.2
127.11173	5.9
128.11555	0.3
130.08609	0.6
131.70694	0.3
141.24805	0.3
144.04436	0.6
153.09108	1.5
171.01869	2.2
171.10178	100.0
171.13750	6.5
172.03889	0.5
172.10529	7.2
172.14262	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	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73336	0.2
57.03347	0.3
58.02847	100.0
59.03187	1.3
66.03341	0.3
66.66789	0.2
68.99714	0.4
69.03338	0.7
70.02850	0.7
71.20621	0.6
79.16914	0.3
81.03325	0.4
83.04923	0.4
87.00758	0.3
97.02845	1.0
102.18607	0.2
108.04446	0.3
109.02356	0.6
111.04435	0.3
122.06064	0.4
123.04451	1.1
124.01559	0.3
124.04775	0.7
125.02330	9.8
125.05952	0.6
125.09604	0.6
126.90321	0.3
135.93417	0.3
138.05560	0.3
139.03908	0.3
140.08313	0.3
148.40718	0.3
150.05527	0.7
151.00438	0.3
151.03978	0.4
151.11183	0.5
153.01483	1.3
158.75432	0.2
168.03870	0.7
168.06609	0.6
168.13820	6.5
169.01335	2.8
169.05136	1.2
169.08728	0.6
169.12317	0.6
169.14191	0.5
170.60687	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	169.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
58.02849	1.0
59.01249	1.9
64.01799	1.0
65.00201	2.0
65.01332	0.9
65.99706	0.7
66.03348	2.3
68.99671	1.0
69.03308	2.9
70.64642	1.3
71.01248	1.3
71.04881	0.8
72.99184	0.6
80.96324	0.6
81.03329	1.2
85.02828	1.2
87.00780	0.6
89.01315	1.0
96.95900	1.5
97.02834	4.4
97.06461	2.0
98.02364	1.7
99.00751	1.1
99.04403	1.0
107.04909	1.9
109.02823	1.0
110.02362	3.9
111.00797	1.0
113.02309	0.6
113.67856	0.6
115.02905	1.5
116.02432	1.2
123.04436	1.3
125.02335	19.7
125.03265	1.2
125.05998	4.2
125.09602	3.7
125.99461	1.7
126.02677	1.1
127.05019	1.0
128.03419	0.8
128.07101	0.7
129.03238	1.1
139.00252	1.0
140.03432	1.0
141.01852	1.2
142.03978	6.5
143.02510	0.9
143.03520	2.5
151.00293	1.3
151.03928	1.5
153.98981	2.4
154.02679	0.7
169.01355	8.2
169.03854	1.2
169.05049	8.4
169.08640	1.6
169.12253	100.0
170.04549	2.4
170.05827	0.8
170.07190	1.1
170.12598	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	166.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19954	1.0
54.23438	1.3
57.62104	1.5
66.03372	1.8
70.21084	5.5
75.00746	5.3
76.01065	2.3
78.95779	10.6
79.95589	1.4
81.03349	1.4
89.16341	1.2
91.01796	1.5
92.04968	6.2
93.03329	1.5
94.02837	1.3
94.03593	1.3
95.01275	3.2
95.04883	1.7
97.02836	2.1
104.04971	3.3
108.02049	17.1
108.04423	3.5
109.02831	3.6
111.00739	1.9
121.02848	2.9
122.03641	58.0
122.06006	4.4
123.00752	5.4
123.04433	24.2
124.01542	13.9
125.02364	2.8
136.01547	2.6
137.02342	18.8
138.02782	1.6
138.05484	2.8
139.03905	2.1
140.46362	1.4
151.00272	5.3
152.01047	28.6
153.01907	2.2
154.02608	18.3
165.27782	1.3
166.02777	1.7
166.05061	17.3
166.08641	100.0
167.01984	1.8
167.03386	25.2
167.07076	2.6
167.08998	8.6
174.81125	1.4
185.26912	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	166.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24784	0.4
60.31400	0.5
66.03352	1.3
67.01745	0.6
69.03336	0.5
69.41189	2.9
74.51739	0.4
79.88469	0.5
80.02571	0.8
81.03336	0.9
83.01231	0.7
85.28507	0.4
91.01755	0.8
92.04916	1.1
93.03307	0.8
94.02882	0.5
95.01252	1.7
95.04913	1.0
97.02835	1.1
101.24851	0.5
108.02052	13.2
108.04404	2.3
109.02839	1.8
111.00776	1.0
111.04374	0.5
121.02839	2.2
122.03644	42.3
122.06010	1.2
123.00799	3.4
123.04449	14.7
123.08021	0.9
124.01550	11.7
124.03950	0.8
124.04754	0.9
125.02335	1.8
135.04399	0.8
136.01566	2.2
136.03920	0.7
136.05232	0.5
137.02347	16.7
138.01764	0.5
138.02763	1.1
138.05484	3.4
139.03923	1.7
149.02336	1.0
150.82106	0.5
151.00264	3.4
152.01059	23.7
153.01837	1.3
153.94040	0.4
154.02637	16.4
155.02954	0.8
166.02553	1.5
166.04991	12.1
166.08646	100.0
167.03415	10.8
167.05029	0.6
167.05579	0.8
167.07082	1.5
167.09013	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	165.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82763	0.8
59.01251	3.8
65.00195	4.9
65.01335	0.7
65.55451	0.7
65.99741	1.3
66.00846	0.9
66.03362	1.8
67.01749	1.2
68.99705	1.1
69.03317	2.0
70.97781	2.1
71.01254	3.6
71.04907	1.0
72.99172	2.3
73.02823	1.1
73.38543	0.8
75.00753	1.9
77.03844	5.6
81.03333	2.0
81.04444	2.3
82.02845	1.0
82.03975	8.5
85.02834	1.8
87.00748	2.2
89.00204	1.9
89.02310	1.9
91.01750	7.4
92.04900	1.9
92.99683	6.1
93.03339	11.3
94.02872	0.9
95.01263	3.0
95.02398	1.2
95.04900	1.7
97.02850	1.7
97.03966	4.5
97.65076	0.8
101.02407	1.1
105.01832	1.7
107.04886	1.2
108.02035	3.1
108.04483	1.2
109.02840	12.7
111.04403	1.0
119.04899	3.9
121.02841	100.0
121.06463	3.2
121.10117	24.9
122.03578	8.1
122.05981	1.4
122.10420	1.1
123.00776	3.2
123.01879	1.2
123.04409	7.2
123.05540	1.3
124.01557	1.7
124.03937	1.2
124.05028	3.9
135.04393	2.3
136.01530	2.0
137.02348	21.8
137.06007	2.8
138.02795	0.9
138.05495	1.7
147.04387	5.9
149.00880	3.7
149.02223	0.8
150.03133	18.2
151.00270	6.1
154.02621	1.3
164.89522	2.3
164.98198	0.9
165.01834	24.9
165.04024	2.2
165.05464	16.4
165.07536	3.3
165.09131	11.2
166.02452	1.3
166.04964	5.2
166.08612	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34072	0.3
58.02864	0.5
59.01254	1.1
65.00201	1.1
65.01313	1.7
65.99728	1.1
66.03371	0.5
67.01772	0.7
67.02885	0.9
68.01286	0.8
69.87411	1.9
71.01262	0.8
72.99178	34.7
73.99567	0.5
75.00761	1.3
77.03855	1.0
81.03344	0.5
81.04463	0.7
81.35696	0.3
82.02865	0.6
82.03983	1.3
83.02408	0.6
87.00771	0.5
91.01766	1.8
91.05439	0.9
92.04920	0.3
92.99702	1.0
93.03341	2.4
94.02881	0.9
95.01285	0.7
95.02396	1.4
96.00806	0.9
97.03930	1.9
98.02383	0.5
101.03844	2.1
103.05425	0.5
105.01765	0.6
107.02406	0.4
108.02042	0.7
109.02842	3.8
109.03971	1.2
110.02330	0.3
117.03371	1.3
119.04913	37.5
120.01961	0.4
120.05247	2.8
121.02841	17.8
121.06492	0.9
122.02378	0.7
122.03595	4.9
122.06010	0.5
123.00777	1.9
123.01868	0.9
123.03068	0.7
123.04402	1.8
123.05479	0.8
124.01579	0.7
124.03942	0.5
124.05043	1.8
136.01500	0.9
136.04959	0.5
137.02350	6.1
137.03342	0.7
137.05978	0.7
138.01910	0.5
138.02980	1.3
138.05467	0.5
139.05028	0.8
147.04414	100.0
148.04755	7.3
149.00838	0.5
150.03137	7.1
151.00299	2.9
151.03519	0.5
165.01849	5.0
165.04147	1.2
165.05470	30.9
165.07695	1.1
165.09123	1.5
166.01329	0.5
166.02620	0.7
166.04855	1.0
166.05908	1.9
166.08635	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	164.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67829	0.7
62.40232	0.6
62.99262	0.6
70.63917	1.4
71.01255	0.9
72.00778	46.6
73.01120	1.1
91.05389	1.4
92.04930	1.6
92.99667	0.8
93.03333	2.6
95.63312	0.7
108.02088	0.8
108.04406	1.2
109.02847	1.8
112.72527	0.7
119.04898	2.6
120.04458	2.2
120.05275	2.5
121.02834	10.1
123.04407	1.0
124.89278	0.7
135.04427	3.1
137.01459	0.9
137.02344	5.1
137.05930	0.7
146.05963	0.8
147.04419	100.0
148.04762	6.5
149.02371	1.2
150.03120	3.0
157.04556	0.7
164.01006	1.3
164.03395	1.7
164.07080	44.7
165.01898	4.4
165.04205	0.9
165.05489	3.4
165.07423	4.4
165.09171	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	164.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.5
65.00195	0.4
65.01316	0.9
65.99724	0.9
67.02872	0.4
68.01284	0.6
70.78049	1.0
72.00778	43.3
72.34465	0.3
73.01098	0.5
74.89780	0.3
77.03841	0.4
83.02381	0.4
91.01772	1.0
91.05421	1.6
92.04958	1.7
92.99693	0.7
93.03356	1.8
94.02863	0.6
95.02395	0.7
100.39285	0.4
103.05412	0.7
106.03992	0.8
107.02404	0.7
108.04434	1.6
109.02827	1.6
109.03928	0.5
118.06477	0.5
119.02448	0.4
119.04925	2.9
120.04440	4.1
120.05268	2.6
121.02847	10.0
121.03840	0.6
122.03534	1.7
123.01899	0.7
135.04410	2.3
136.03882	0.9
136.04858	0.4
137.02335	2.6
137.03471	2.6
137.05974	0.5
146.05994	0.6
147.04419	100.0
148.04767	8.7
149.01019	0.4
149.02327	1.0
150.03134	2.3
164.03366	1.0
164.04585	2.0
164.07083	50.4
165.01833	3.5
165.04143	0.6
165.05443	2.0
165.07465	4.0
165.08784	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	157.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11848	0.5
57.03296	0.9
59.01248	2.0
65.01321	1.9
68.99689	1.2
70.40916	2.2
71.01247	2.6
72.99170	0.7
83.04887	1.7
83.45222	0.5
85.02831	2.0
85.06449	0.8
87.00755	1.6
89.01340	1.2
91.02895	0.6
95.04881	1.9
97.06510	0.7
99.00771	2.1
111.00783	0.8
111.08052	1.5
113.05968	100.0
113.09577	1.4
114.06294	5.3
115.00270	1.7
116.02411	0.8
116.07088	1.0
116.27898	0.5
127.00250	10.0
130.04012	4.0
130.06558	1.4
131.03563	1.1
139.00237	1.3
139.07544	1.7
142.02576	0.6
157.01346	2.2
157.02496	0.8
157.05028	20.4
157.08572	8.3
157.12251	3.0
158.03488	4.5
158.05952	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	157.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00245	0.8
54.04051	0.7
57.03309	1.3
58.02836	0.7
59.01248	21.8
59.64946	0.7
65.01315	9.6
65.99716	1.5
67.05405	1.5
68.99698	1.9
69.03318	1.7
69.98305	3.6
71.00854	1.0
71.01252	19.1
73.02776	0.8
83.04883	3.6
84.99171	1.2
85.02839	2.8
87.00769	2.4
89.01324	4.5
90.00835	1.2
90.69654	0.7
91.02896	3.1
93.06957	1.4
95.04887	2.2
98.19894	0.9
99.00755	3.2
102.00839	0.8
106.04012	1.7
106.22330	0.7
109.06464	7.2
111.00713	1.3
111.08041	4.6
113.05962	2.4
113.09619	1.8
115.00254	1.4
115.02899	3.1
116.02419	3.6
121.06477	1.3
127.00269	8.1
127.07538	43.8
128.07890	1.4
130.03993	23.4
130.06519	2.1
130.07840	0.8
131.03516	5.1
131.04358	1.0
139.07539	29.2
140.07930	2.1
144.64944	0.7
155.07048	1.0
156.96851	0.9
157.01350	3.3
157.02519	0.9
157.05090	25.9
157.08604	84.3
157.12238	3.4
158.03505	100.0
158.05841	2.5
158.08940	5.9
168.90746	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	158.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18264	0.1
57.03302	0.2
59.01242	0.7
65.01320	0.6
65.99699	0.3
67.53299	0.1
68.99683	0.2
69.03320	0.4
71.01249	1.6
72.99184	0.2
73.02815	1.0
75.00730	0.3
81.03320	0.3
83.01244	0.4
85.02814	0.5
85.21941	0.1
87.00751	0.7
89.01321	0.3
90.00882	0.7
91.84836	0.1
95.04911	1.2
97.02824	0.4
97.06461	6.5
99.00755	0.7
101.02318	0.7
104.90658	0.1
106.03983	0.3
111.00758	0.8
113.02300	0.3
115.02896	0.5
115.05435	0.6
115.07532	3.6
116.02394	0.4
116.07069	0.1
118.03970	0.2
119.04795	0.3
128.04994	0.2
129.01802	0.7
130.03987	0.3
130.06505	0.6
131.02505	0.2
131.03513	0.9
132.01938	0.3
132.05574	0.3
138.32237	0.2
141.01878	0.1
141.05505	0.1
157.05122	0.2
158.03497	100.0
158.06047	2.6
159.02820	0.9
159.03963	5.8
159.06544	3.0
159.10152	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	163.0755
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
55.07995	0.1
65.01321	0.2
70.26615	0.4
71.01267	0.1
82.04006	0.3
83.46326	0.1
91.01748	0.3
91.05390	0.2
93.03365	0.2
103.05415	0.1
117.03371	0.1
119.04917	2.2
120.04366	0.1
120.05391	0.1
121.02848	2.0
121.03950	0.3
121.05047	0.8
122.03620	0.4
135.04413	1.3
136.04967	0.3
146.03462	0.1
147.04419	3.5
148.05196	100.0
149.02377	0.6
149.05533	7.3
163.00272	0.5
163.03966	0.8
163.06247	0.2
163.07538	3.9
164.04596	0.2
164.06892	0.2
182.31511	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	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78616	1.1
52.85019	1.1
53.34638	0.9
54.24971	0.9
55.01759	100.0
56.02076	3.9
65.00188	4.3
67.01762	8.2
68.75586	1.2
68.99687	1.5
69.03336	1.0
71.01254	14.3
71.48067	1.6
72.99162	3.4
81.03332	1.5
83.01258	55.1
83.04902	4.6
84.01592	1.6
85.02834	1.5
85.32398	1.1
93.03336	19.5
95.01268	5.3
99.00766	2.5
111.00760	23.0
111.03316	1.8
111.04384	5.7
112.98615	1.8
114.05477	3.6
123.00793	1.9
127.00259	16.5
127.03903	1.2
130.22746	1.1
136.98451	4.2
137.02361	2.5
140.01044	3.1
154.99773	63.0
155.03426	8.9
156.00131	3.2
156.06572	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	155.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.2
57.03325	1.4
58.02842	3.2
59.01236	1.2
64.05698	0.8
65.00180	0.8
65.01314	2.4
67.01752	1.2
68.01288	0.7
68.99711	1.1
70.02859	1.0
71.01245	0.8
71.06863	1.9
74.02338	1.9
81.03345	1.7
83.01256	3.0
83.02370	0.8
83.04900	4.0
84.00800	1.3
84.04419	6.0
85.02846	2.7
86.02325	1.3
89.01323	1.5
90.00858	1.1
93.03329	16.8
95.01270	11.3
95.02375	1.0
96.00787	5.1
98.02359	0.9
98.03445	0.9
101.01351	1.6
102.00878	1.0
109.02833	1.5
111.00763	1.4
111.04402	5.0
111.08018	1.2
112.03945	1.1
113.02358	1.4
113.03474	1.8
114.00877	1.0
114.05474	5.6
127.00268	1.8
127.05037	0.9
128.02420	2.1
128.03375	1.2
129.04485	2.5
137.02365	2.1
137.88196	0.8
140.01053	3.3
151.37347	0.8
154.02774	1.7
154.99744	1.6
155.03497	22.8
155.04671	1.9
155.10681	100.0
156.02957	1.9
156.04247	1.7
156.05574	7.7
156.06685	1.2
156.11024	10.7
169.21184	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	152.0708
Annotation	Dopamine
Peak:m/z	Relative Intensity
66.03376	0.3
70.97651	0.6
76.74001	0.3
81.03345	0.5
89.72510	0.4
95.49550	0.3
108.02061	2.3
109.02843	13.8
110.00000	1.2
121.02821	0.8
122.03641	45.0
123.00712	0.4
123.04531	5.4
124.01558	5.3
124.04755	2.6
125.02333	0.4
135.04466	0.5
136.01579	1.6
137.02357	9.9
137.99490	1.4
138.02696	0.5
146.79044	0.3
151.11230	0.5
152.04543	2.8
152.07080	100.0
153.01846	4.4
153.05513	0.7
153.07428	8.6
153.12755	0.9
154.02618	10.1
155.03023	0.5
164.15398	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	152.9945
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99698	1.0
69.03316	0.9
69.19922	8.8
76.77194	0.7
78.95773	82.7
81.03323	2.4
82.02840	0.8
91.01760	0.9
96.96839	8.8
100.87815	0.9
108.02053	6.6
109.02835	100.0
109.99980	3.3
110.03153	5.2
123.04404	3.2
124.03915	0.7
125.02355	2.6
137.99484	3.1
138.03142	0.9
143.21992	0.8
150.97920	2.6
151.00259	1.3
152.99487	69.6
153.01814	21.2
153.05470	1.8
153.86758	0.8
153.99817	2.3
154.04976	1.5
170.38148	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	153.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
61.98696	0.9
64.82824	0.4
65.00193	0.3
66.03352	0.9
67.01776	0.4
67.03745	0.5
69.03325	1.5
70.69882	1.0
71.01249	0.4
71.04916	0.4
72.99167	0.7
81.03322	4.0
81.67622	0.4
82.02872	1.6
83.01258	1.1
83.04897	0.6
91.01779	1.0
93.79707	0.4
95.01260	0.6
97.02827	1.2
97.06463	7.2
98.02329	0.4
98.06802	0.5
99.08023	2.2
108.02049	7.0
109.02839	100.0
109.06478	0.9
109.99977	5.2
110.02410	0.4
110.03149	5.0
111.04388	0.6
112.03961	0.5
123.00782	0.6
123.04417	2.5
124.01533	0.7
124.03893	1.9
124.04777	0.5
125.02321	3.7
135.04424	1.6
136.03934	0.8
137.09596	0.7
137.99490	6.0
138.03134	0.5
151.00266	1.2
151.11182	0.8
153.01843	22.3
153.05444	3.1
153.07433	0.6
153.12761	17.8
153.86769	9.9
154.02249	1.4
154.04996	1.7
154.13109	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	152.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68668	0.2
59.01249	0.2
65.03824	0.6
66.03359	1.3
67.01755	0.3
68.99677	0.2
69.03323	0.5
69.88623	0.7
69.89037	0.4
71.01266	0.2
72.99168	0.9
74.12970	0.2
78.95760	1.4
79.95584	0.2
80.02549	0.2
80.96398	0.4
81.03321	1.8
83.01260	0.5
85.02824	0.3
91.01774	0.6
95.01256	0.4
96.99213	0.2
97.02840	0.4
98.19865	0.2
108.02057	7.4
108.04456	1.3
108.05140	0.3
109.02837	61.1
109.99982	2.0
111.00750	0.3
121.02846	0.5
122.03633	41.1
123.00788	0.7
123.04379	6.6
124.01555	7.3
124.04750	4.8
125.02405	1.5
125.04994	0.3
134.03535	0.2
135.04410	0.5
136.01569	2.0
137.02361	12.9
137.99496	2.1
138.02678	1.1
151.00246	0.5
151.11200	0.5
152.01099	1.1
152.04469	5.6
152.07077	100.0
153.01839	14.7
153.05443	1.0
153.07439	7.5
153.12698	1.0
154.02623	14.0
155.03021	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	148.052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11164	1.8
63.97971	1.8
65.01327	2.1
66.21378	1.4
67.51529	1.5
69.15713	5.2
69.16132	11.1
91.05407	3.0
92.31534	1.4
93.03336	3.0
98.19628	2.4
100.54703	1.3
101.81217	1.6
105.03306	5.6
107.95010	1.5
119.04926	6.7
121.02841	34.5
122.03189	2.9
140.55530	1.6
147.04408	33.7
148.05199	100.0
149.02376	3.6
149.05522	8.7
152.46692	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00223	0.6
55.34742	0.4
57.03333	0.5
57.90830	0.4
59.01233	0.5
64.01784	1.5
65.01315	3.1
65.99713	1.1
71.01249	0.8
71.49848	0.4
72.99175	0.5
77.01324	3.0
81.03323	0.8
81.04448	1.6
83.04884	1.8
84.02048	0.9
87.00750	0.6
90.00870	0.6
91.02906	2.3
92.02420	0.8
97.06464	6.4
99.08034	100.0
100.08366	5.5
101.05942	2.3
102.03379	0.4
102.05496	2.8
103.01643	0.8
105.03246	0.4
105.04459	1.6
106.01659	0.8
116.02461	0.5
117.01929	0.4
117.03346	0.7
118.02878	3.8
118.04005	10.3
119.02405	4.4
127.07530	2.6
128.03441	0.6
128.07870	0.4
130.02742	0.5
131.01187	0.4
137.02281	0.4
143.07079	1.7
144.01936	0.6
145.01530	0.6
145.02791	1.3
145.03947	1.1
145.05028	6.1
145.08607	35.4
146.02379	7.7
146.03503	3.2
146.04506	0.7
146.07150	1.5
146.08972	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	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55797	5.4
57.03322	23.5
60.68965	5.7
70.66083	19.0
72.25005	5.7
72.35326	5.1
74.64773	7.0
85.02824	68.5
87.00752	100.0
92.04942	6.7
103.03915	7.4
129.01859	9.6
145.00961	6.6
147.02972	23.4
148.03943	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46177	1.9
57.03323	27.0
59.01264	12.6
60.79324	2.0
68.73006	2.0
70.90021	4.7
71.01257	8.9
72.99182	2.2
73.02821	2.9
75.00771	2.9
77.77882	1.8
78.19299	2.0
85.02822	69.8
87.00753	100.0
88.01120	4.7
92.04942	5.5
93.03294	2.2
101.02328	5.7
101.05987	4.2
103.03903	10.1
110.87888	2.1
120.04385	3.4
129.01814	13.3
130.02864	3.1
131.03717	1.9
147.02940	27.5
147.04199	3.9
147.06506	6.3
148.00285	3.2
148.03992	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00218	6.6
50.10085	4.5
55.44096	5.0
57.03316	9.5
59.01238	17.9
64.01793	14.0
65.01318	80.9
65.99715	35.3
67.02869	22.0
68.01275	9.2
69.48644	4.4
69.59267	8.1
69.59670	30.6
71.01244	38.5
72.99162	9.3
75.00739	15.4
77.01311	5.7
79.02879	15.3
80.01285	7.1
81.04437	8.2
81.65694	5.8
82.03996	8.3
85.02837	24.0
85.03869	4.8
87.00739	21.5
89.01282	7.9
90.00857	8.6
91.02866	14.7
92.02396	6.3
92.04932	12.4
95.02396	6.4
102.03378	5.3
103.20152	5.1
104.02398	5.1
105.04456	31.5
106.02904	7.4
106.03986	49.0
107.02354	10.7
118.03995	24.0
119.02405	8.6
119.03207	6.0
119.04884	22.4
120.00887	4.1
120.01935	35.6
120.04414	16.8
120.05533	15.9
121.03040	4.0
121.03957	31.4
129.01788	6.1
133.06448	5.6
147.01848	18.8
147.03030	54.5
147.04379	88.7
147.05528	11.3
147.06465	25.0
148.01407	8.1
148.03899	52.5
148.05035	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	148.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71865	2.3
55.72588	2.2
59.01247	6.1
61.94024	2.2
64.01791	7.7
65.00203	5.0
65.01315	30.9
65.02644	2.4
65.99717	16.6
67.02877	8.0
68.01276	4.4
71.01224	4.6
73.02788	2.1
77.01306	2.6
77.03830	6.5
79.02881	9.2
81.04446	3.7
82.02835	4.1
82.04005	2.7
86.02328	2.3
87.00733	3.5
89.02316	12.8
89.40491	2.0
91.02875	5.2
91.05361	2.9
92.04916	4.0
93.03318	19.5
93.04373	2.1
94.02842	3.8
95.01249	9.1
95.04890	8.9
105.03300	6.6
105.04439	10.8
106.03998	40.3
107.02362	6.3
108.02011	2.5
118.04000	4.7
119.04861	2.6
120.01907	2.4
120.04394	4.3
120.05499	5.4
121.02821	71.1
121.03937	13.9
122.02365	4.6
122.03507	5.3
131.03577	2.6
134.03615	4.0
147.03328	2.3
147.04408	17.5
148.03915	18.8
148.05109	100.0
149.01082	2.9
149.02315	46.6
149.03461	6.2
149.04489	9.7
149.05786	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	9.2
59.01227	11.3
70.90498	13.2
71.01252	42.5
72.99165	11.9
73.02805	10.6
80.80605	6.1
81.03308	18.0
82.05122	5.3
83.01260	10.8
83.04899	33.2
85.02813	6.8
87.00751	27.2
90.93729	5.5
99.00748	10.9
99.04385	11.6
101.02313	43.2
101.05975	35.3
102.05501	9.6
115.00237	16.0
117.03290	9.0
118.02866	57.2
127.00265	10.8
143.54703	6.0
144.96379	23.8
145.01295	12.6
145.02844	11.9
145.03873	7.6
145.04938	25.1
145.08546	6.8
146.02377	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	1.4
50.10655	0.5
50.30296	0.5
54.99323	0.5
59.01243	0.7
64.01785	1.9
65.01318	4.6
65.99705	1.7
70.44846	0.7
70.45191	1.8
71.01257	1.1
71.04907	0.7
72.99177	1.0
73.02823	0.6
74.02352	0.7
76.01797	0.8
76.53094	0.5
77.01313	3.4
79.34106	0.5
81.03345	1.5
81.04455	1.4
83.01260	0.6
83.04887	3.1
89.01337	0.7
90.00822	0.9
90.03363	0.8
91.02901	2.2
92.02391	0.6
97.06463	4.7
99.00666	0.7
99.04394	1.3
99.08032	100.0
100.02229	0.5
100.08353	6.4
101.05914	2.4
102.05500	2.1
103.01624	1.0
105.03232	1.1
105.04488	1.5
106.01627	1.0
116.02438	1.2
117.02077	0.6
117.03331	1.2
117.04530	0.6
118.02882	4.3
118.03995	13.8
119.02406	5.6
119.04343	0.8
124.23639	0.6
127.07474	2.6
128.03444	0.7
143.07022	1.3
144.01982	0.7
145.01540	1.3
145.02797	1.7
145.03926	1.2
145.05035	9.0
145.08601	36.6
146.02380	10.5
146.03502	5.2
146.04526	1.0
146.07140	1.8
146.08929	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	140.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.9
55.89910	1.4
57.03324	2.1
59.01243	3.6
67.01744	4.2
68.99677	4.7
69.03318	9.9
71.01247	3.0
71.28165	1.6
71.28502	2.0
78.27090	1.3
81.04465	1.4
82.03970	2.1
83.01277	2.0
83.02373	2.6
85.02815	12.3
95.01248	11.5
96.00798	1.4
96.04390	1.3
97.02829	8.6
97.06429	1.4
98.02347	2.0
98.03477	3.0
99.00752	6.3
99.01867	3.1
106.74261	1.6
111.00758	5.6
112.01040	2.3
113.02326	5.0
114.00877	3.2
123.00768	4.3
126.54607	1.4
128.06935	1.6
139.00227	2.4
140.00977	5.8
140.02319	2.3
140.03377	2.3
140.07065	100.0
141.01854	21.6
141.05527	3.5
141.07411	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29082	9.3
57.03314	21.4
62.17100	12.9
69.59479	62.8
71.01248	14.8
72.99200	11.5
73.02799	24.8
83.04889	10.2
83.42944	9.7
83.43502	9.3
87.00767	12.2
89.35884	12.4
101.02306	100.0
102.05517	46.3
115.00275	12.1
118.02864	23.2
128.03430	24.2
145.01289	10.5
146.02390	15.5
146.04543	9.7
162.66057	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87204	0.2
59.01252	1.8
63.02687	0.2
71.01251	88.5
71.24380	0.6
72.01587	2.5
72.99179	20.8
73.99512	0.3
76.94434	0.2
87.00744	1.6
89.02315	9.5
89.02843	0.6
90.26393	0.2
106.98620	0.2
113.75975	0.3
115.00253	100.0
116.00581	4.8
123.46738	0.2
133.01318	19.7
133.04935	0.3
134.01685	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.8
62.61565	0.4
69.86260	0.9
69.86669	1.5
71.01254	83.2
72.01590	2.6
72.99179	21.1
73.99523	0.4
75.35113	0.4
87.00761	1.5
89.02322	7.4
91.78767	0.4
98.20564	0.7
115.00256	100.0
116.00584	4.3
133.01326	18.6
133.05035	0.6
134.01692	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	131.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.9
57.03325	4.4
59.01254	0.6
65.01311	5.4
65.99706	0.7
66.01630	0.7
67.02877	3.0
69.03327	1.2
69.53245	4.1
71.01245	2.0
72.99160	2.1
73.02819	4.1
77.01305	1.6
81.04463	0.8
83.04899	1.1
85.02292	0.8
85.02821	21.7
85.06457	100.0
86.03173	1.0
86.06791	4.6
87.04387	4.2
88.03870	0.6
89.01313	4.7
90.00821	0.9
91.02886	3.9
98.19827	1.1
101.02349	0.6
104.02438	1.5
105.04465	1.7
113.02323	1.8
113.06001	0.8
128.97833	0.5
129.05487	1.4
130.02751	0.7
131.01108	0.5
131.03497	25.5
131.04359	2.3
131.07030	36.4
132.01967	1.1
132.03899	1.1
132.05569	6.5
132.07310	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	1192.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04439	0.4
86.02340	1.9
86.05961	0.4
86.98975	0.9
87.05521	1.3
88.03942	0.5
90.00055	0.9
95.02404	0.4
97.03935	1.0
99.05505	6.5
101.07072	1.0
102.05465	0.9
109.03943	1.6
111.05551	0.5
112.03922	0.8
116.01649	1.1
123.05516	0.9
124.03935	0.6
125.03426	1.0
127.05000	1.2
128.03426	21.4
135.05519	2.0
137.07054	0.4
139.01352	0.4
139.08592	0.4
141.06638	2.0
143.04523	26.5
144.04771	0.4
145.06107	1.5
146.04472	2.4
153.06596	2.5
160.00636	8.4
166.09726	1.2
166.87962	0.4
167.04515	2.6
167.08183	1.6
173.95242	0.4
177.03290	2.8
179.04546	7.0
181.06136	0.4
185.05565	0.7
192.07741	0.7
197.05682	0.6
209.11702	0.6
210.08765	6.9
242.07780	0.6
254.07800	7.3
272.08865	14.5
288.06610	5.5
306.07632	100.0
307.07846	3.0
402.46545	0.4
579.88727	0.4
657.59668	0.4
802.15912	0.4
1079.59595	0.4
1174.56445	0.7
1192.57019	10.0
1193.55737	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	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01315	2.9
65.99725	3.0
66.03359	2.2
67.02863	1.1
68.01287	0.9
70.80913	1.6
75.99815	0.6
77.40516	0.7
79.02893	4.6
80.01275	0.7
82.01598	2.9
83.82496	0.6
91.01768	1.0
91.02895	1.0
92.02456	1.4
93.03345	5.4
94.02870	15.4
95.01295	1.1
95.02388	2.4
104.10017	0.6
108.02055	2.4
120.01965	0.7
121.02843	100.0
121.05112	4.8
121.05862	1.4
122.02358	10.8
122.03408	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.9
57.03325	2.2
57.76941	1.2
63.57295	1.4
67.01755	3.6
68.99695	1.9
69.58941	6.5
71.01232	2.9
72.99186	1.7
85.02821	100.0
86.03165	3.2
87.00732	1.7
88.03908	5.4
118.62168	1.2
119.26710	1.3
129.01843	8.7
130.04015	2.3
130.08633	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.3
69.03321	1.1
70.66276	2.1
71.01252	3.2
72.99176	2.0
73.02828	4.2
75.00749	1.1
85.02824	22.5
85.06488	1.2
86.15627	0.9
87.04374	6.7
88.03898	1.7
113.02340	2.0
130.03987	1.7
130.08635	100.0
131.03407	8.4
131.08972	5.9
143.87233	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	130.0864
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
55.43831	0.8
57.03320	3.7
59.01248	1.5
70.79853	1.5
71.01268	1.3
73.02808	2.9
85.02823	14.3
85.06456	1.0
87.04399	3.2
88.03921	2.5
130.04028	2.0
130.08632	100.0
131.03401	4.5
131.08981	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	130.0864
Annotation	L-Isoleucine
Peak:m/z	Relative Intensity
55.01759	1.3
55.41933	1.2
57.03328	9.1
59.45515	1.0
62.18233	1.0
69.03329	2.0
70.97906	2.3
71.01254	3.1
73.02812	7.0
85.02825	32.3
85.06458	2.6
87.04376	8.2
88.03918	1.8
113.02358	2.0
119.22536	1.0
126.26475	1.2
130.04012	5.4
130.08632	100.0
131.03421	15.2
131.08955	5.1
135.49809	1.0
135.93762	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
56.90808	0.3
58.88306	0.3
70.63847	1.0
73.02819	100.0
74.02372	0.3
74.03154	2.7
99.00761	8.6
99.92469	0.3
100.01086	0.4
116.92754	0.5
117.01829	12.2
118.02159	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	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.1
71.01250	1.5
71.04881	0.9
71.42380	0.5
71.42697	0.8
73.02817	100.0
74.02345	1.0
74.03152	3.1
77.66499	0.5
90.37207	0.5
99.00760	8.0
99.92457	0.9
116.92759	2.3
117.01832	11.2
117.07392	1.5
118.02130	0.7
118.02894	1.7
118.03991	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	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
59.01240	2.6
68.17930	0.7
71.01252	2.5
71.04900	2.4
71.36568	1.4
73.02819	100.0
74.03156	2.9
90.00858	1.8
90.03362	1.1
91.02917	0.8
99.00748	9.0
99.92480	4.2
116.92738	13.2
117.01831	13.1
117.03321	0.7
117.04515	0.8
117.05480	1.3
118.02145	1.0
118.02877	6.2
118.03926	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	1155.545
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95603	6.1
80.96387	34.8
81.03329	0.3
83.01289	0.1
85.02821	1.3
87.00753	1.4
89.78136	0.1
91.03893	0.1
93.97160	0.1
94.97959	9.7
95.01296	0.3
96.95877	0.5
97.02827	1.0
99.00755	0.4
99.04408	0.1
101.02321	1.6
106.97968	1.9
113.02325	0.2
122.97466	3.8
125.02339	2.3
127.03915	0.7
134.97475	2.9
136.99055	0.8
146.97496	0.2
148.99040	3.9
150.96968	0.1
152.98534	5.2
153.98921	0.1
164.98541	7.8
165.98793	0.1
167.00092	0.4
179.00133	0.2
180.54225	0.1
182.99628	1.7
188.98560	0.3
206.99629	2.4
225.00690	15.8
226.00975	0.4
243.01740	1.8
277.21692	1.9
278.21936	0.2
299.04410	2.9
300.04556	0.1
312.85516	0.1
317.05621	0.2
517.49152	0.1
577.26825	100.0
578.27161	10.9
943.96851	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	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
59.01255	0.6
69.02575	0.4
70.96634	1.2
71.01267	1.4
71.04868	0.6
72.01581	0.9
73.02818	100.0
78.76974	0.5
95.85083	0.5
99.00766	8.4
99.92427	1.0
116.02418	0.8
116.07057	47.5
116.92748	2.1
117.01827	12.9
117.07391	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	1161.6543
Annotation	Unknow
Peak:m/z	Relative Intensity
83.03289	0.1
96.96835	2.0
96.97428	0.2
145.34140	0.2
150.97913	0.6
152.99486	38.7
153.99829	0.4
171.00551	11.1
172.69829	0.2
225.09624	0.1
227.03232	2.3
245.04277	53.3
246.04588	1.2
253.21696	23.8
254.22026	1.1
279.23248	1.9
280.23465	0.2
308.51904	0.1
481.25693	100.0
482.26044	7.6
507.27289	2.3
508.27774	0.3
523.89240	0.2
527.79980	0.2
686.59259	0.2
960.34943	0.2
1143.45178	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	1150.6288
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04900	0.2
85.29534	0.1
97.06485	0.1
98.20589	0.1
104.97373	0.1
122.00032	0.3
127.07514	0.2
140.01076	2.4
140.02167	0.1
150.51305	0.1
152.99500	0.9
155.14304	0.1
166.02672	0.1
167.43126	0.1
171.00536	0.1
196.03737	1.4
205.19507	0.1
214.04791	3.2
233.22752	0.4
257.18909	0.1
259.20670	0.6
275.20117	0.5
277.21695	100.0
278.22031	6.0
312.27667	0.1
418.09537	0.1
474.26196	61.1
475.26572	5.0
475.33823	0.1
707.76935	0.1
823.47321	0.1
1063.03564	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	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00219	1.6
59.01239	2.5
71.01251	100.0
71.37075	2.5
71.92868	1.6
72.01576	3.4
88.50658	1.5
94.38406	1.6
115.00264	10.3
116.06268	2.9
116.07053	24.5
123.63199	1.7
127.29868	1.4
132.80363	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	1150.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
122.00013	1.0
126.95346	0.3
128.14220	0.3
140.01074	7.2
152.99490	2.5
162.93045	0.4
196.03731	10.9
214.04852	2.2
233.22813	0.6
259.20624	1.0
275.20038	0.5
277.21710	82.8
278.22067	4.9
330.15213	0.4
474.26230	100.0
475.26630	7.4
577.26770	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	1135.7124
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03326	3.4
83.00748	0.2
83.01254	5.6
83.04892	7.8
84.01617	0.1
85.02824	1.6
87.00746	0.5
89.02316	1.7
95.01241	0.5
96.00792	0.2
97.02814	0.3
99.00732	0.2
100.07572	0.1
101.02320	13.7
107.05973	0.2
108.04431	0.3
111.00721	0.1
113.02328	5.2
119.03402	1.6
120.01105	0.2
125.02345	0.6
125.07079	0.6
126.05506	0.2
131.03403	1.5
143.03391	1.6
143.08142	0.2
145.02838	0.1
149.03317	0.2
149.04457	3.2
155.03374	0.5
160.10591	0.1
161.04462	4.9
162.04897	0.1
164.16544	0.1
175.03847	0.1
180.11620	0.1
183.31895	0.1
203.05513	0.6
207.14932	0.6
221.06610	2.1
224.17653	1.8
225.16037	9.8
226.16377	0.5
230.49103	0.1
242.18730	0.4
268.16614	0.2
309.21820	0.5
324.26569	0.5
333.22864	0.5
341.29318	0.6
367.27094	1.2
385.28162	0.3
397.09955	0.1
407.33734	0.2
433.26898	0.1
433.32050	1.2
450.34509	1.2
451.32867	8.0
452.33020	0.7
457.26093	0.1
468.35968	0.2
533.40637	0.2
534.53778	0.1
535.38562	0.2
543.97540	0.1
550.43311	1.1
551.43542	0.1
559.39630	0.5
560.39948	0.2
565.44678	0.3
567.46082	0.2
593.43732	0.7
659.48706	2.8
660.49030	0.4
673.64539	0.2
677.49658	100.0
678.49951	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	1145.538
Annotation	Unknow
Peak:m/z	Relative Intensity
79.87458	0.2
83.01268	2.6
85.02823	5.8
85.99973	0.6
86.05935	0.2
87.00753	3.1
89.02318	5.6
95.01263	4.7
96.95905	0.2
96.99177	0.3
97.02833	0.9
99.00755	1.7
99.04358	0.3
99.46312	0.2
101.02323	9.6
109.02776	0.3
111.00761	0.8
112.01559	0.6
113.02333	10.9
119.03391	2.1
125.02331	0.8
129.01836	0.4
131.03395	3.6
133.18001	0.2
134.19138	0.2
137.02359	0.4
139.00241	1.1
143.03375	1.4
149.04474	0.3
157.01328	0.5
159.02911	0.8
161.04463	5.0
179.05557	1.6
190.26796	0.2
210.71677	0.2
221.06612	6.1
221.08800	0.3
263.07687	0.7
403.30112	0.4
405.27725	0.5
407.29596	0.4
421.31180	1.1
423.28333	0.4
423.33304	0.5
425.30710	0.4
439.32138	5.9
440.32440	0.7
441.33664	2.3
453.29898	0.3
485.32941	0.3
537.35291	0.4
539.33942	0.3
759.79169	0.2
923.46338	2.4
924.47760	0.4
965.46997	0.2
1085.52112	1.5
1086.52588	0.4
1103.52759	1.8
1104.53052	0.3
1145.53821	100.0
1146.53967	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	60.4
85.62411	0.2
96.96838	6.1
98.20499	0.4
108.90035	0.2
140.86349	0.2
150.97934	1.8
152.99492	100.0
153.99852	1.0
171.00574	4.0
277.21783	0.6
431.22015	42.5
432.22430	3.1
493.25760	0.2
519.14972	0.2
734.04608	0.2
767.17572	0.2
778.29395	0.2
804.01563	0.2
868.53827	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52287	1.0
67.01762	59.7
68.02101	3.5
68.34112	1.1
69.21092	0.9
69.74954	3.5
69.75356	2.4
72.51920	1.0
77.83611	1.0
79.28721	1.1
83.01260	2.4
85.02837	1.1
87.44099	0.9
101.23095	1.0
111.00763	100.0
112.01090	5.5
123.97690	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	34.8
71.44512	15.5
72.98315	9.4
83.01259	10.3
84.80326	9.9
93.60989	9.8
97.57426	10.5
97.90374	10.7
101.19138	10.1
111.00748	100.0
127.24666	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	1097.6775
Annotation	Unknow
Peak:m/z	Relative Intensity
78.74529	0.1
78.95773	5.3
79.95612	0.1
80.96386	0.9
83.54047	0.1
94.97935	0.1
96.96827	0.2
105.66246	0.1
122.97527	0.1
122.98445	0.1
134.97502	0.1
152.99496	1.3
164.98537	0.2
168.02873	0.1
168.04225	1.6
171.00502	0.1
224.06874	1.0
225.00662	0.4
242.07935	2.4
261.22174	0.4
279.23267	100.0
280.23605	7.6
299.04468	0.1
370.96069	0.1
433.23145	0.1
504.30923	83.5
505.31259	9.4
519.27209	0.8
577.26941	1.5
577.34760	0.1
578.26898	1.3
578.34705	3.4
579.26685	0.2
579.35010	0.4
875.54315	0.1
1020.44989	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	1101.7083
Annotation	Unknow
Peak:m/z	Relative Intensity
78.81735	0.2
78.95775	5.7
96.95864	0.8
96.96819	0.2
98.20573	0.4
108.64033	0.2
113.19893	0.2
140.37187	0.2
152.99501	1.3
168.04198	1.4
220.86462	0.2
224.06931	0.8
242.07925	2.3
245.04308	0.2
261.59842	0.2
281.24838	100.0
282.25183	6.5
455.92801	0.2
481.25580	0.7
506.32486	77.5
507.32870	7.1
507.40884	0.2
521.28790	0.5
580.27722	0.3
580.36176	3.6
581.37012	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	1103.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03309	0.2
83.01257	2.6
84.02067	0.2
85.02820	6.2
85.99970	0.6
87.00746	3.3
89.02316	5.9
93.03320	0.2
93.62599	0.1
95.01261	4.8
96.99159	0.2
97.02828	1.0
99.00755	2.0
101.02319	9.9
109.02829	0.2
111.00761	0.6
112.01561	0.5
113.02329	10.2
114.02633	0.1
119.03379	2.0
125.02335	0.4
129.01797	0.3
131.03389	3.8
137.02321	0.4
139.00258	1.1
143.00070	0.1
143.03401	1.0
149.04425	0.2
157.01352	0.4
159.02869	0.7
161.04463	5.2
179.05534	1.6
205.03416	0.2
221.06610	6.1
222.06891	0.3
233.15407	0.1
263.07654	0.4
301.05664	0.1
387.26962	0.2
403.30008	0.4
405.27945	0.6
407.29529	0.4
421.31110	1.4
423.28326	0.3
423.33551	0.8
425.30438	0.2
439.32132	6.2
440.32608	0.7
441.33740	2.3
453.29993	0.2
485.32809	0.4
509.36322	0.4
537.36029	0.3
539.34332	0.2
546.94696	0.1
717.43011	0.2
743.39227	0.2
779.42279	0.3
923.46509	1.3
924.46356	0.3
941.47217	0.3
1103.52686	100.0
1104.52954	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.678
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	16.1
96.01991	0.3
96.96880	0.3
122.98438	0.5
141.15410	0.2
143.40530	0.2
152.99467	3.5
165.38731	0.2
168.04204	3.3
224.06900	7.6
225.07249	0.3
242.07990	1.5
261.22162	0.3
279.23273	83.5
280.23639	5.7
386.68356	0.3
452.97159	0.3
504.30948	100.0
505.31238	9.8
519.27313	0.8
578.34613	3.1
579.35150	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	1096.6189
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95783	13.5
152.99474	10.3
168.04170	2.9
174.98056	2.3
183.60844	2.4
204.11745	2.7
242.07930	5.1
277.21701	86.3
278.22040	47.9
279.22260	13.6
280.22638	4.7
367.39551	2.8
502.29495	54.9
503.29816	45.8
504.29855	29.4
505.30319	11.1
531.35242	2.7
572.07806	2.7
579.30475	100.0
579.39636	4.8
580.30762	9.5
584.40521	2.7
628.58826	2.7
1080.11011	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	1096.6189
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95783	13.5
152.99474	10.3
168.04170	2.9
174.98056	2.3
183.60844	2.4
204.11745	2.7
242.07930	5.1
277.21701	86.3
278.22040	47.9
279.22260	13.6
280.22638	4.7
367.39551	2.8
502.29495	54.9
503.29816	45.8
504.29855	29.4
505.30319	11.1
531.35242	2.7
572.07806	2.7
579.30475	100.0
579.39636	4.8
580.30762	9.5
584.40521	2.7
628.58826	2.7
1080.11011	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	1093.6472
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	16.8
78.98457	0.8
79.95599	1.6
80.96385	11.1
85.02822	0.3
87.00745	0.4
94.97956	3.1
96.95892	0.2
96.96843	0.3
97.02834	0.3
99.00766	0.2
101.02328	0.5
106.97932	0.4
111.00789	0.2
118.10595	0.1
122.97461	0.9
122.98430	0.5
125.02326	0.9
127.03921	0.2
127.07539	0.2
134.97502	0.8
134.98372	0.1
136.99025	0.2
148.99043	1.1
152.98492	1.0
152.99506	2.3
164.98535	2.5
168.04218	2.9
169.74989	0.1
182.99611	0.5
206.99619	0.7
218.41241	0.1
224.06879	7.9
225.00691	5.0
225.07085	0.2
233.22658	0.4
242.07964	2.0
243.01639	0.6
259.20673	0.4
275.20078	0.4
277.21704	72.7
278.22049	4.8
299.04428	0.8
330.95334	0.1
334.46185	0.1
347.30334	0.1
502.29364	100.0
503.29691	9.1
517.25677	0.8
576.33044	2.9
577.26813	32.6
632.49176	0.1
890.87292	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	1094.586
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95777	5.1
78.98461	2.6
79.95122	0.2
79.95223	0.1
79.95604	6.0
80.96390	33.5
81.03333	0.3
83.01254	0.3
85.02826	1.3
87.00754	1.2
94.97964	8.6
95.01263	0.3
95.57153	0.1
96.95909	0.7
97.02853	0.9
99.00782	0.4
101.02321	1.5
101.86732	0.2
106.97970	1.7
107.26907	0.1
113.02292	0.2
122.97479	3.0
122.98357	0.2
125.02329	1.9
127.03909	0.6
134.97470	2.4
136.99034	0.9
148.99037	3.4
152.98515	4.2
152.99547	0.5
162.36569	0.2
164.98541	7.3
167.00142	0.2
168.04230	1.1
182.99582	1.9
188.98491	0.4
206.99614	2.2
219.44965	0.2
224.06885	2.2
225.00699	15.4
226.00999	0.4
242.07983	0.5
243.01817	1.4
277.21716	19.5
278.22052	7.0
299.04395	2.3
317.05276	0.2
397.74408	0.2
502.29404	20.7
503.29755	13.8
504.29797	0.6
576.33240	0.4
577.26862	100.0
578.27179	10.5
670.68817	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	1085.6026
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	55.6
85.81952	0.1
88.32291	0.1
95.27461	0.1
96.96843	6.3
97.28436	0.1
97.48643	0.1
112.47379	0.1
143.73125	0.1
150.97932	1.9
152.99487	100.0
153.99828	1.0
163.25523	0.1
171.00555	4.0
277.21753	0.8
278.21979	0.1
431.22000	43.3
432.22330	3.2
573.81995	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	1092.6598
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	5.3
87.00733	0.4
88.95206	0.1
101.02344	0.1
107.33175	0.1
115.00227	0.3
152.99484	1.8
163.42610	0.1
168.04228	1.2
175.02382	0.9
176.02769	0.2
176.28825	0.1
224.06956	1.1
242.07947	2.6
246.52448	0.1
253.09282	0.8
261.22128	0.2
277.21707	4.9
278.21997	0.4
279.23270	100.0
280.23618	7.1
433.23398	0.8
504.30951	77.3
505.31277	8.3
513.31128	0.1
519.27490	0.7
520.27222	0.2
578.34619	3.6
579.34985	0.4
847.28625	0.1
918.11963	0.1
941.23584	0.1
1023.52283	0.2
1092.51184	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	1093.647
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	7.3
83.04886	0.2
91.25952	0.1
96.96831	0.2
101.78298	0.1
107.63811	0.1
122.98423	0.1
127.07557	0.2
128.57312	0.1
131.16106	0.1
152.99489	1.6
155.14317	0.1
168.04207	1.9
171.00584	0.1
190.99716	0.1
205.19545	0.2
224.06856	1.3
233.22618	0.5
236.29848	0.1
242.07936	3.0
247.16946	0.1
259.20654	0.5
273.45099	0.1
275.20230	0.6
277.21710	100.0
278.22052	7.1
344.74222	0.1
377.30026	0.1
431.21982	0.1
459.22498	0.1
502.29379	93.3
503.29715	9.0
517.25769	0.8
576.33069	3.3
577.33105	0.5
589.41541	0.1
753.10162	0.1
854.70148	0.1
908.79651	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	1069.6029
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95774	6.8
99.31328	0.3
152.99464	1.4
168.04207	1.7
224.06856	1.4
233.22644	0.6
242.07970	2.8
259.20590	0.8
261.37872	0.4
275.20236	0.6
277.21713	100.0
278.22046	6.9
502.29391	95.6
503.29709	8.3
552.28601	3.6
612.37000	0.4
703.83020	0.4
861.60925	0.4
908.68652	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	1081.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
78.09334	0.3
78.98463	3.4
79.95603	6.1
79.96049	0.6
80.33105	0.4
80.96387	36.3
84.05574	0.4
85.02814	1.7
87.00735	1.5
94.97968	9.7
95.01273	0.4
96.95909	0.8
97.02828	0.7
98.19855	0.8
101.02309	1.5
106.97983	2.0
118.17820	0.4
122.97475	3.8
125.02328	2.2
127.03899	0.5
128.03461	0.5
134.97456	2.7
136.99031	0.5
137.95697	0.3
143.04491	0.4
148.99019	3.5
152.98537	4.8
164.98528	6.8
175.51781	0.4
182.99586	1.8
206.99648	2.3
225.00702	15.4
243.01744	0.9
256.76608	0.4
277.21643	1.8
299.04364	2.8
577.26855	100.0
578.18738	0.7
578.27209	9.8
732.74207	0.5
934.17889	0.4
1066.69458	0.5
1081.52576	1.3
1082.53516	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	1064.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00758	0.8
77.23791	0.6
83.01270	1.7
85.02827	3.6
87.00745	2.3
89.02311	5.1
89.03838	0.9
92.04944	3.5
95.01272	1.3
97.02848	2.4
99.00746	1.1
101.02325	11.2
104.53370	0.7
106.02830	0.8
108.02051	1.0
108.04458	1.3
108.15874	0.7
109.02837	1.5
111.00743	1.2
113.02329	7.1
115.03938	0.7
117.03397	1.6
118.02872	7.5
118.06493	0.7
119.03391	2.2
120.04424	3.1
121.02849	2.9
123.04395	1.8
124.01508	0.8
125.02319	4.5
126.72827	0.6
127.77656	0.7
130.02902	1.7
131.03476	2.0
132.02060	23.3
132.04449	1.0
133.02853	4.1
134.02501	1.2
134.03625	27.1
135.04315	1.0
136.03912	1.5
137.02318	3.5
139.03885	1.3
141.01823	0.8
143.03380	1.9
145.02852	1.0
146.02394	9.6
146.03531	1.1
147.00824	0.9
147.03175	10.1
147.04390	1.4
148.03944	49.6
149.02324	2.9
149.04607	3.8
149.05988	3.9
150.05515	28.0
151.03963	0.9
151.05820	1.3
153.78621	0.6
159.00748	0.7
159.03008	0.6
160.01569	76.4
161.02370	11.4
161.04428	5.1
162.01730	1.0
162.02977	0.8
162.05498	1.4
163.02667	2.9
164.01248	0.9
164.03444	15.0
166.05080	0.9
174.05525	0.9
175.03918	100.0
176.01091	1.4
176.04457	4.1
177.01895	3.1
178.02608	3.3
179.03259	0.9
179.05507	4.1
180.02959	0.8
182.04486	0.9
191.03456	1.6
191.07039	1.1
192.00558	1.6
193.01353	0.8
193.04999	27.4
194.04474	20.6
202.02596	1.3
202.05026	1.8
206.04532	1.7
208.02444	2.6
209.04460	2.1
210.03970	0.9
217.05020	3.1
218.04607	2.1
221.04755	0.6
221.06540	3.3
235.06110	4.1
245.06911	0.7
250.05121	0.8
252.06677	1.0
254.08228	1.0
279.05341	1.0
280.06033	1.6
281.06955	1.2
296.09341	2.4
298.07339	0.8
298.10876	0.7
307.04980	1.8
308.05484	1.1
312.08615	1.1
322.07175	5.3
323.07922	2.2
324.08826	2.3
325.05957	1.1
325.09546	1.5
326.06766	0.8
326.10208	3.4
337.09271	0.9
338.06662	0.9
340.08194	12.8
341.08817	1.0
352.04572	1.2
352.08386	0.8
356.07846	1.0
358.09406	1.7
370.09290	6.6
383.11951	1.3
384.07263	2.9
386.08633	0.8
402.08063	0.8
467.14120	1.2
474.16461	0.7
485.14813	1.3
499.14230	1.0
517.15686	1.4
518.15228	2.4
532.14728	1.1
559.16626	6.1
568.02606	0.8
589.17688	1.6
616.18457	1.7
617.19409	0.9
619.18762	1.9
634.20111	2.4
649.19086	0.8
661.19824	13.3
662.19476	3.2
680.20251	10.0
681.20581	0.7
694.19763	3.0
695.19983	0.9
810.24628	56.3
811.09894	0.9
811.25159	19.2
812.25330	2.1
826.24329	2.5
838.23865	0.8
844.25403	0.9
850.22528	1.1
856.25043	21.3
857.24860	3.2
870.24561	1.2
872.24829	1.1
888.24323	2.2
987.29968	3.7
1033.26929	0.9
1046.26514	1.0
1064.29968	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	1051.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99187	1.4
73.02455	0.3
73.02825	3.7
75.00748	5.8
83.01263	2.8
85.02821	9.3
85.99962	1.0
87.00753	5.6
87.04379	1.4
89.02314	4.0
95.01248	2.7
96.18774	0.3
97.02827	4.0
99.00756	7.2
101.02320	7.3
103.03885	1.4
111.00758	0.6
113.02332	6.4
115.03886	1.7
119.03368	0.8
125.02347	5.3
127.03874	0.4
131.03400	3.0
139.00294	0.4
142.02515	0.3
143.03401	3.5
145.04962	0.7
157.01324	0.5
161.04468	0.7
163.06079	1.7
205.07072	2.0
244.17203	0.3
274.73694	0.3
289.68149	0.4
400.31003	0.5
425.37219	0.3
565.38782	1.3
635.42999	0.8
725.42358	0.5
965.82617	0.4
1033.54468	2.6
1034.54956	0.9
1051.54858	100.0
1052.55200	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	3.5
73.02809	3.2
75.00742	1.5
83.01244	3.2
85.02830	4.6
87.00768	3.6
89.02320	6.3
89.03805	1.7
92.04937	3.5
93.03336	4.2
95.01270	3.3
97.02827	3.7
101.02325	12.7
105.03321	1.9
108.02023	2.2
109.02836	5.4
110.68743	1.5
113.02319	6.6
117.03349	15.8
118.02860	3.7
119.03409	2.1
119.04917	3.6
120.04432	3.5
121.02816	6.8
122.06043	3.4
123.00755	3.0
123.04414	6.5
125.02334	6.1
130.02881	3.5
131.03609	2.5
132.02078	14.2
132.04414	3.2
133.02844	17.9
134.03635	19.1
135.04451	3.2
136.03949	2.0
137.02338	5.7
139.03889	2.6
143.03407	2.9
145.02858	46.1
146.02264	2.7
146.03293	2.5
146.06024	2.5
147.03239	8.2
147.04236	1.9
148.03943	98.8
149.02348	6.1
149.04443	7.5
149.05940	3.5
150.05508	100.0
151.05884	4.7
160.01573	47.0
160.03841	3.9
161.02367	30.6
161.04390	10.2
163.03920	1.8
164.03452	7.3
165.01732	1.7
166.02591	1.7
166.04951	2.1
174.05545	3.6
175.03923	45.3
176.00984	2.9
176.04366	1.5
177.01839	17.8
178.02533	2.6
179.03358	4.2
179.05505	5.2
181.04984	4.0
191.03482	1.7
192.00549	4.1
192.03065	2.3
192.06502	2.2
193.01277	1.6
193.05006	18.2
194.04509	66.0
195.04816	3.2
202.04977	9.2
206.04619	2.6
208.02269	2.1
209.04515	9.6
221.06583	4.0
232.73103	1.6
233.35207	1.5
234.04092	1.8
246.04005	6.8
252.06502	1.9
265.35815	1.5
292.05927	3.3
294.07596	2.0
296.09314	8.0
308.05502	2.3
309.06683	2.0
310.07080	5.5
312.08734	3.7
328.08212	4.8
336.05310	2.8
340.08310	5.9
354.05972	2.9
356.07886	9.7
372.07312	2.0
373.06519	1.6
383.11926	2.9
485.15067	6.7
619.18347	1.9
634.19806	8.2
661.20001	10.8
662.19458	11.7
680.20374	73.4
681.20703	9.3
698.17682	1.7
810.24597	21.4
811.25269	6.5
826.24512	13.0
827.23987	3.4
844.24390	2.5
856.25104	51.4
857.26379	9.2
872.24677	2.7
1002.29077	3.9
1004.92249	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	1050.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02821	1.6
85.02777	1.2
89.02324	2.5
92.04939	2.0
96.95872	3.1
97.02808	2.5
101.02329	6.3
108.02047	2.2
109.02818	2.4
113.02327	1.4
114.23485	0.9
119.03390	1.2
120.04412	2.2
122.05978	1.8
123.04379	2.6
125.02307	2.4
131.03569	3.1
132.02097	8.1
132.04419	3.0
133.02863	7.7
134.03644	5.7
135.04401	3.6
136.01561	10.9
137.02310	2.7
141.45314	0.9
145.02779	1.4
146.02365	1.8
146.06050	1.7
147.03156	5.0
148.03951	60.0
149.02332	1.3
149.04747	9.9
150.05510	100.0
151.03911	3.4
151.05867	2.5
160.01573	35.9
160.03877	3.1
161.02354	34.3
161.04451	3.9
162.05463	1.1
164.03413	3.0
174.05521	3.3
175.03918	40.7
176.04346	1.2
177.01714	1.4
179.05521	1.5
192.06560	2.2
193.01187	1.3
193.05063	2.5
194.04512	80.3
195.04829	2.9
201.04114	1.1
202.05009	1.5
221.06575	2.9
252.06577	1.0
282.11234	1.5
311.07965	1.8
326.10361	17.3
327.10236	1.3
363.30930	1.1
370.09396	12.1
383.11877	1.3
387.16043	1.2
473.39297	1.1
504.56772	1.2
515.12372	2.3
637.57471	1.3
661.82349	1.3
662.19489	2.1
680.20526	11.1
722.21454	37.7
723.21997	4.2
796.23035	3.8
838.25696	1.1
842.23615	1.2
856.25134	19.0
857.25439	4.2
874.26086	34.2
875.26190	5.5
898.26355	17.4
899.26581	1.9
1032.30347	8.0
1033.30798	1.9
1050.30969	46.0
1051.31335	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	1048.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01277	1.6
101.02330	4.7
108.02012	1.8
109.02837	5.2
113.02316	2.3
120.04412	2.2
121.02810	2.6
121.70760	1.4
122.05943	2.6
125.02347	1.3
132.02104	3.4
132.04463	3.1
133.02847	24.8
136.03876	1.8
145.02869	1.9
146.05968	2.1
147.03162	1.9
148.01465	1.9
148.03943	44.9
149.02321	4.6
149.04549	1.7
150.05510	83.2
151.05881	2.0
160.01537	7.2
160.03979	2.2
161.02347	66.0
161.04419	2.3
162.02721	2.3
164.03459	2.9
164.04726	4.4
171.32552	1.4
174.05476	2.7
175.00252	6.1
175.03922	6.0
176.01010	6.4
179.34340	1.3
190.02635	17.2
191.03371	4.6
192.06613	1.8
194.04514	62.0
195.04900	1.8
202.05000	18.3
203.05499	1.8
205.04990	16.8
211.58377	1.3
221.06519	2.4
223.06087	4.3
246.04036	20.6
302.85757	1.3
312.08490	2.1
356.07727	34.7
356.12076	1.7
357.08087	2.7
566.13947	1.4
616.81616	1.7
662.19275	2.1
680.20422	23.0
681.20453	1.6
691.21539	3.0
842.23633	4.4
856.25171	6.4
872.24109	4.6
886.26178	100.0
887.26556	11.7
962.44257	1.7
969.30963	1.6
1048.29041	9.5
1049.27100	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	105.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	0.8
58.33772	0.5
59.01252	22.8
60.01579	1.0
64.01785	0.8
65.01305	1.6
70.20600	1.1
70.20966	1.2
72.99180	90.4
73.99505	1.4
75.00748	34.7
76.01074	0.8
78.03374	0.5
87.92402	8.8
103.00214	1.2
104.92692	1.8
105.01817	100.0
105.04491	2.6
105.93459	1.5
106.02144	2.9
106.03995	8.9
123.94529	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	105.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05376	0.7
51.10898	0.6
58.00484	0.8
59.01248	18.0
70.35003	2.5
71.75816	0.6
72.99180	83.1
73.99511	1.6
75.00745	35.4
87.92413	1.6
103.00261	0.9
104.92658	0.8
105.01816	100.0
106.02181	4.4
106.04025	1.2
123.94529	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	1050.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02821	1.6
85.02777	1.2
89.02324	2.5
92.04939	2.0
96.95872	3.1
97.02808	2.5
101.02329	6.3
108.02047	2.2
109.02818	2.4
113.02327	1.4
114.23485	0.9
119.03390	1.2
120.04412	2.2
122.05978	1.8
123.04379	2.6
125.02307	2.4
131.03569	3.1
132.02097	8.1
132.04419	3.0
133.02863	7.7
134.03644	5.7
135.04401	3.6
136.01561	10.9
137.02310	2.7
141.45314	0.9
145.02779	1.4
146.02365	1.8
146.06050	1.7
147.03156	5.0
148.03951	60.0
149.02332	1.3
149.04747	9.9
150.05510	100.0
151.03911	3.4
151.05867	2.5
160.01573	35.9
160.03877	3.1
161.02354	34.3
161.04451	3.9
162.05463	1.1
164.03413	3.0
174.05521	3.3
175.03918	40.7
176.04346	1.2
177.01714	1.4
179.05521	1.5
192.06560	2.2
193.01187	1.3
193.05063	2.5
194.04512	80.3
195.04829	2.9
201.04114	1.1
202.05009	1.5
221.06575	2.9
252.06577	1.0
282.11234	1.5
311.07965	1.8
326.10361	17.3
327.10236	1.3
363.30930	1.1
370.09396	12.1
383.11877	1.3
387.16043	1.2
473.39297	1.1
504.56772	1.2
515.12372	2.3
637.57471	1.3
661.82349	1.3
662.19489	2.1
680.20526	11.1
722.21454	37.7
723.21997	4.2
796.23035	3.8
838.25696	1.1
842.23615	1.2
856.25134	19.0
857.25439	4.2
874.26086	34.2
875.26190	5.5
898.26355	17.4
899.26581	1.9
1032.30347	8.0
1033.30798	1.9
1050.30969	46.0
1051.31335	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	1046.6173
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99182	2.1
73.02811	0.5
75.00743	7.0
77.85413	0.2
83.01247	0.4
83.32844	0.3
85.02822	10.8
87.00751	3.6
89.02318	2.3
95.01262	2.6
98.20536	0.7
99.00758	4.6
101.02316	0.4
103.00257	1.7
106.30750	0.2
111.00751	0.4
112.01530	0.4
113.02328	12.9
115.00237	0.8
117.01817	1.0
125.45147	0.2
129.01796	1.0
131.03354	0.3
143.40672	0.2
157.01332	0.3
175.02402	1.6
189.03952	0.2
193.03549	0.2
205.07127	0.9
223.08139	0.4
233.06117	0.2
249.06085	2.5
267.07214	3.0
275.20328	0.4
277.21710	27.9
278.22055	1.7
279.23279	0.3
391.36588	0.2
493.36795	0.3
509.27368	1.0
527.28583	100.0
528.28949	10.9
727.57098	0.2
1050.79895	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	1048.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02810	1.6
83.01224	2.0
85.02817	4.1
86.01943	1.0
87.00769	1.9
89.02305	4.0
92.04932	2.1
94.55041	1.2
95.01269	1.7
97.02823	2.2
99.00729	1.1
101.02331	9.1
104.04929	1.4
108.04408	1.7
109.02829	3.2
111.00751	1.7
113.02331	4.2
118.02838	2.1
119.03548	1.8
120.04435	4.4
121.02840	4.1
122.05995	2.5
123.00774	1.9
123.04400	4.0
124.01568	1.2
125.02329	2.9
127.75358	1.1
129.60001	1.1
131.03584	2.7
132.01138	2.3
132.02060	19.7
132.04419	3.2
133.02905	7.4
134.03629	22.7
135.04427	2.1
137.02309	4.1
138.05435	1.6
143.03439	1.5
146.02373	4.7
146.05988	1.6
147.03174	15.5
148.01518	2.9
148.03944	79.8
149.02367	5.7
149.04636	7.4
149.05930	2.1
150.05505	100.0
151.05852	4.1
160.01566	75.1
161.02356	26.5
161.04446	4.9
162.03021	1.3
162.05518	2.5
163.02643	2.0
164.03435	10.2
165.04193	1.5
166.05013	9.7
174.05542	3.8
175.03920	87.2
176.01068	16.5
176.03180	2.3
176.04320	4.0
177.01840	2.8
178.02603	3.2
179.05511	2.8
180.66751	1.2
189.04166	1.5
190.05080	2.1
191.03421	12.6
192.02913	3.3
192.06725	1.3
193.05008	18.6
194.04498	75.0
195.04825	2.8
200.03487	1.2
201.04176	1.4
202.03047	1.1
202.04970	5.8
209.04501	6.5
210.03996	5.9
216.02953	1.7
218.04532	4.9
221.06624	3.7
235.06006	1.8
236.05817	1.0
246.03932	3.5
296.09088	2.0
302.37372	1.2
314.10287	2.2
324.08688	4.5
326.10361	11.0
340.08081	2.2
342.09766	15.5
354.05872	2.5
368.07449	2.9
370.09335	12.6
383.11963	2.0
386.08765	11.7
517.15607	1.4
518.15094	1.4
559.16443	1.8
661.20190	9.1
662.19421	8.1
677.19019	2.2
680.20337	29.6
681.20331	3.4
694.20117	2.6
696.20154	1.6
776.56970	1.4
796.24048	1.7
810.24109	3.2
827.24933	3.0
828.25647	5.7
838.23492	5.9
840.22406	2.8
854.23492	3.1
856.25116	67.1
857.25751	9.7
870.24152	2.6
872.24695	36.9
873.25183	4.8
1004.31390	2.9
1016.26501	2.5
1048.29407	36.4
1049.29224	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	1032.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02817	1.7
83.01253	1.4
85.02849	1.5
85.64169	0.5
87.00747	0.9
89.02323	3.7
92.04933	1.6
95.01281	0.6
97.02821	1.8
99.00724	0.6
101.02320	6.7
103.78374	0.5
106.97586	0.5
109.02851	2.3
113.02337	3.4
117.03363	1.0
118.25134	0.5
119.03407	1.6
120.04442	1.7
121.02797	1.0
122.05985	1.2
123.03100	0.7
123.04398	1.7
125.02328	1.8
128.42021	0.5
130.02885	1.0
131.03542	2.3
132.02069	19.7
132.04446	2.7
133.02893	5.1
134.03632	20.0
135.04341	1.1
136.03935	0.5
137.02350	1.4
143.03456	1.1
144.04413	0.6
145.02818	0.7
146.02377	0.9
146.06015	1.6
147.03165	5.2
148.03949	63.3
149.04674	9.1
149.05978	2.5
150.05510	100.0
151.05835	3.2
160.01573	70.1
160.03880	3.0
161.02356	26.7
161.04341	3.8
162.02898	1.8
162.05539	1.5
164.03369	2.3
164.07082	0.9
174.05499	3.4
175.03922	71.6
176.04500	2.3
178.02647	1.7
179.05550	1.9
190.05023	1.2
192.02858	0.7
192.06563	1.5
193.03398	0.8
193.05000	12.7
194.04510	85.8
195.04863	3.0
201.04240	1.0
202.05031	2.3
202.91699	0.5
204.06665	0.5
206.04674	0.6
207.63866	0.5
209.14644	0.6
216.06427	0.7
221.06627	3.2
245.06552	0.7
282.11374	1.9
296.09418	0.6
298.10889	0.5
311.07928	2.0
326.10327	15.2
327.10681	0.8
370.09338	12.6
371.09451	1.0
379.97958	0.7
383.11938	0.8
384.10709	0.8
471.18298	0.5
661.19550	3.1
662.19708	2.3
680.20428	17.1
681.20679	2.0
759.82458	0.6
765.08594	0.6
773.42084	0.5
811.23785	0.6
838.24304	0.7
856.25153	92.0
857.25494	18.1
870.23907	0.6
1032.29919	49.0
1033.30151	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	1032.299
Annotation	Unknow
Peak:m/z	Relative Intensity
72.07217	0.4
73.02822	1.5
81.03320	0.8
83.01247	1.4
85.02822	2.1
89.02319	2.6
89.03848	0.7
92.04941	1.6
95.01263	0.7
97.02835	1.3
101.02321	5.8
104.04871	0.4
108.02029	0.8
108.04456	0.5
109.02837	1.9
111.00764	0.7
113.02328	2.8
117.03314	1.2
119.03358	0.8
120.04437	2.1
121.02861	0.9
122.06011	1.5
123.04395	2.2
125.02351	1.7
130.02911	1.1
131.03648	2.1
132.02066	23.0
132.04402	2.8
133.02899	5.3
134.03635	17.9
135.04459	1.8
136.03914	0.5
137.02309	0.9
139.03917	0.5
143.03363	0.9
145.02762	0.4
146.02377	0.5
146.06056	0.9
147.03172	4.7
147.04317	0.8
148.03946	61.6
149.04655	7.3
149.05969	1.4
150.05511	100.0
151.05890	3.8
158.06049	0.5
160.01573	74.3
160.03885	3.1
161.02354	23.5
161.04333	3.0
162.02966	1.5
162.05515	1.4
164.03447	1.8
164.07039	0.8
174.05501	2.6
175.03925	55.9
176.04393	3.0
178.02644	1.6
179.05531	1.0
190.04947	0.7
192.06581	1.3
193.03360	0.7
193.04997	9.3
194.04515	65.3
195.04857	2.3
201.04222	0.7
202.05032	1.6
206.04530	0.9
208.06024	0.5
221.06631	2.4
235.03931	0.4
235.06117	0.9
236.05597	0.5
245.06789	0.4
268.06027	0.4
282.11319	1.1
296.09128	0.5
298.10776	0.8
311.08020	1.1
326.10330	10.3
327.10745	0.7
370.09311	11.6
371.09515	1.2
383.12024	0.5
384.10962	1.0
645.17749	0.5
647.17456	0.5
661.19757	4.3
662.19849	2.4
680.20386	15.8
681.20728	2.5
811.25671	0.6
838.24304	0.5
856.25153	89.8
857.25439	20.6
857.42505	0.7
870.25836	0.5
1032.29895	40.8
1033.30273	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	1030.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00779	0.6
74.01928	0.6
74.02344	10.0
78.95787	0.4
81.04449	0.8
82.02856	1.3
83.02401	0.4
86.02345	3.5
86.05980	0.6
86.98978	1.1
87.05496	1.8
88.03931	0.4
90.00069	1.1
95.02405	0.4
97.03943	1.1
99.05523	8.4
101.07083	1.1
102.05484	1.5
107.06042	0.4
109.03957	2.0
109.07605	0.6
111.05535	0.7
112.03917	1.0
116.01636	0.7
120.01118	0.4
121.15749	0.4
123.05519	0.7
124.03914	0.7
125.03454	1.0
127.05035	1.9
128.03429	25.5
129.03777	0.4
129.99594	0.4
135.05537	2.8
137.07060	0.6
141.06567	2.5
143.04529	31.5
144.04861	0.8
145.06081	1.5
146.04507	2.9
152.99466	0.5
153.06621	1.8
160.00659	9.9
166.09743	1.2
167.04521	2.1
167.08156	1.5
170.03207	0.6
171.07724	0.7
177.03334	3.3
179.04549	8.3
181.06104	1.2
184.10893	0.4
185.05614	1.4
192.07663	0.6
197.05595	0.8
198.08661	0.8
209.11751	1.0
210.06865	0.7
210.08771	7.9
236.06947	0.3
242.07741	0.9
254.07816	9.2
272.08881	15.9
273.09201	0.7
277.21719	0.6
288.06598	6.1
306.07645	100.0
307.07922	4.7
968.51447	0.4
1030.51599	4.0
1031.51868	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	1031.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99176	3.8
73.02795	0.8
75.76453	0.5
77.41977	0.5
81.03329	0.6
83.01255	1.0
85.02820	6.8
87.00738	3.4
89.02312	35.4
93.03324	0.6
95.01258	3.1
96.09389	0.5
96.95904	1.1
101.02316	18.7
105.03350	0.6
108.02119	0.6
109.02847	3.2
111.00742	0.8
113.02329	13.4
114.02683	0.6
116.92777	0.8
119.03390	18.5
120.03696	0.6
121.02808	3.4
123.00765	3.3
123.04365	0.7
125.02327	1.2
131.03392	2.3
131.04974	0.5
135.04462	0.6
136.01535	2.3
137.02333	22.8
138.02989	0.7
139.03856	0.8
143.03401	4.4
149.02345	10.2
149.04462	2.2
150.03108	1.8
151.00266	22.1
151.03886	5.6
152.00909	1.1
152.04649	1.0
152.07091	0.8
153.01828	1.7
159.04456	0.7
160.01567	0.9
161.02374	3.2
161.04424	3.9
162.03152	0.9
163.03893	1.2
164.01048	2.2
164.04791	1.2
165.01837	82.5
165.05486	2.3
166.02620	43.5
167.03304	2.1
168.04283	0.6
175.03914	5.6
176.01025	1.1
176.04616	2.7
177.01843	45.6
178.02299	3.1
179.03415	17.1
179.05516	11.4
179.07053	1.4
180.04185	38.7
181.04970	100.0
182.05293	4.0
187.03906	0.9
190.02621	0.8
190.06282	0.9
191.03471	1.4
191.07021	2.0
192.04196	29.0
193.04947	2.9
194.05803	4.3
195.02948	3.9
195.06549	40.9
196.06856	1.3
198.05222	0.8
205.04999	2.7
207.06555	27.2
208.06889	0.8
209.08202	1.5
210.05276	9.2
219.06560	0.7
220.07393	1.2
225.07629	30.7
226.07932	1.2
263.08365	0.6
319.12851	0.9
359.11166	0.7
371.11359	0.8
386.13495	1.0
387.13571	2.1
402.13150	1.3
403.13794	1.4
416.14645	1.7
417.15524	10.6
418.15973	0.6
565.17401	1.8
579.18811	1.1
580.19244	1.2
593.20282	2.2
594.20990	3.0
595.12335	1.0
595.21777	17.8
596.22278	2.1
599.25354	0.9
607.21741	5.1
625.23444	0.8
642.24097	0.9
643.23907	7.7
644.24194	1.5
675.26978	2.4
785.28119	14.8
786.28119	2.6
805.29419	0.7
821.30054	1.0
833.30322	9.4
834.31116	2.0
869.32526	0.8
983.35559	2.6
1013.36420	0.9
1031.37756	5.2
1032.38477	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	1025.6384
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	6.1
71.50072	0.3
73.02815	2.3
79.95656	0.2
81.03315	3.0
81.03724	0.3
83.01263	1.0
83.04893	8.0
84.42180	0.3
85.02821	3.7
87.00719	0.3
89.02330	1.2
95.01273	0.5
99.00764	1.2
101.02326	5.9
111.60795	0.3
113.02323	2.7
114.49841	0.3
119.03371	0.7
125.07088	0.6
145.62622	0.2
159.02898	0.6
161.02293	0.4
161.04485	2.1
178.96164	0.3
194.04492	0.3
200.14731	0.2
207.14993	0.5
224.17647	1.6
225.16039	8.4
226.16397	0.6
242.18578	0.6
250.15511	0.3
261.13403	7.6
303.14432	4.3
304.14813	0.3
309.21786	0.4
324.26688	0.3
333.22922	0.4
341.29181	0.8
347.13324	0.5
367.27014	1.0
385.28076	0.3
407.33871	0.3
433.31796	0.9
450.34720	1.2
451.32907	5.4
452.33508	0.4
535.38916	0.3
550.43640	0.9
559.39972	0.3
565.45099	0.3
593.44019	0.4
659.48511	2.1
677.49652	100.0
678.49988	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01218	0.3
78.95773	35.8
86.34888	0.2
89.02323	0.3
91.47681	0.2
96.96835	6.1
125.02384	0.2
149.28831	0.2
150.97899	0.8
152.99487	50.2
153.99762	0.5
155.21988	0.2
166.82582	0.3
171.00542	1.6
223.00072	6.4
232.45526	0.3
241.01147	12.8
253.09271	1.1
259.02234	0.9
261.22205	0.3
267.59985	0.2
277.18594	0.3
277.21698	7.6
279.23276	37.1
280.23663	2.5
315.04837	5.8
333.05954	0.4
408.01431	0.3
430.49561	0.2
431.22211	1.0
516.59949	0.2
595.28876	100.0
596.29230	10.0
640.17865	0.2
840.47437	0.3
930.01959	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	1030.516
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00776	0.6
74.02345	9.4
81.04426	0.4
82.02837	0.9
84.04421	0.6
86.01862	0.4
86.02345	3.7
86.05962	0.5
86.98982	0.8
87.05495	1.9
88.03948	0.3
90.00066	1.0
95.50803	0.2
97.03944	1.1
99.05522	8.8
101.07093	1.3
102.05480	1.1
107.06016	0.4
109.03967	1.4
109.07594	0.5
111.05511	0.6
112.03905	0.9
116.01613	0.6
123.05531	0.7
124.03919	0.5
125.03454	1.4
127.05042	1.3
128.03430	23.9
129.03741	0.4
131.04506	0.4
135.04567	0.5
135.05516	2.6
137.07068	0.7
141.06586	2.3
143.04527	31.0
144.01172	0.3
144.04866	0.6
145.06105	1.7
146.04495	2.9
149.07104	0.4
153.06613	2.5
155.08124	0.4
160.00645	8.9
166.09735	1.8
167.04533	2.8
167.08125	1.1
170.03242	0.6
171.03925	0.5
171.07582	0.5
174.08490	0.3
175.54077	0.3
177.03299	3.2
179.04544	7.6
180.04797	0.3
181.06099	1.0
184.10812	0.4
185.05632	1.2
192.07729	1.0
197.05634	1.0
198.08746	0.4
209.11841	0.5
210.08775	6.7
236.06734	0.3
242.07707	0.7
254.05148	0.5
254.07814	9.1
255.08072	0.4
272.08878	15.8
277.21677	0.7
282.40408	0.3
288.06601	5.8
306.07645	100.0
307.07959	4.3
317.68466	0.3
498.68054	0.3
550.89490	0.3
577.26398	0.3
825.07697	0.3
1012.51508	0.4
1030.52075	4.0
1031.52185	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	1021.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90536	0.3
71.01254	16.7
72.99191	1.6
73.02821	3.9
75.00745	8.8
83.01256	2.7
85.02821	12.6
85.99969	1.2
86.03149	0.4
86.80091	0.3
87.00237	0.5
87.00748	6.5
87.04384	1.3
89.02316	2.0
95.01264	2.1
97.02826	6.6
99.00754	8.6
101.02337	2.2
103.03873	1.0
111.00715	0.3
111.50661	0.3
113.02335	7.1
115.03901	1.3
116.92712	0.5
119.03432	0.3
123.00791	0.4
125.02329	10.2
125.03244	0.5
131.03398	4.3
139.00235	0.5
143.03398	4.6
145.05002	0.5
157.01367	0.3
163.05989	0.7
169.43442	0.3
175.06245	0.6
205.07092	1.3
211.13350	0.6
219.09067	0.5
229.31796	0.3
253.21898	0.3
277.21832	0.6
300.15872	0.8
344.18668	1.2
345.18912	0.5
565.38721	1.0
567.40918	0.5
696.11511	0.3
725.43427	0.4
761.34039	0.5
899.54004	0.3
1003.52716	2.2
1021.53809	100.0
1022.53986	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	1024.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	0.3
71.49810	0.3
73.67743	0.2
78.95774	12.9
83.04901	0.2
96.96830	1.0
103.00938	0.2
127.07549	0.2
150.97893	0.2
152.99487	18.9
153.99779	0.2
170.46454	0.2
171.00563	1.7
187.90100	0.2
206.71585	0.2
209.43477	0.2
225.61743	0.2
227.03185	2.6
233.22659	0.5
234.77995	0.2
241.89468	0.2
245.04259	2.1
259.20627	0.8
275.20059	0.5
277.21704	100.0
278.22046	7.4
278.24487	0.1
279.23245	2.3
280.23630	1.0
504.30978	0.8
505.25699	94.7
506.26025	9.4
506.31982	0.3
628.00696	0.2
903.32843	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	1020.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78336	1.1
71.01252	4.6
71.72680	0.6
72.99186	0.6
73.02821	1.4
78.09129	0.5
85.02831	1.2
87.00739	0.9
89.02309	2.5
92.04941	2.2
93.03355	1.0
95.01264	1.0
97.02831	1.1
101.02330	4.9
104.04924	0.7
108.02028	0.9
109.02859	2.2
113.02332	2.6
117.03349	17.8
118.02892	0.7
118.80839	0.6
119.03397	1.0
119.04960	0.8
120.04449	2.0
121.02853	2.0
122.06026	1.7
123.04407	2.2
125.02359	1.9
129.70888	0.5
130.02896	0.9
131.03560	0.9
132.02072	2.8
132.04465	2.9
133.02834	5.0
134.03647	3.5
135.04407	1.8
136.01563	7.2
137.02350	1.1
138.01857	0.6
143.03412	0.7
145.02856	58.2
146.02240	0.8
146.03227	2.0
146.06024	1.3
147.03156	3.1
147.04358	0.9
148.03946	55.2
149.04747	6.4
150.05510	100.0
151.03954	4.1
151.05856	3.5
152.03322	0.6
160.01567	7.3
160.03955	2.1
161.02365	12.0
161.04451	2.4
162.02660	1.4
162.05565	0.7
163.02631	0.8
164.03435	2.8
164.07115	1.6
169.89297	0.6
174.05536	1.8
175.03934	6.3
177.01936	0.7
179.03427	1.1
179.05582	1.0
186.05569	0.7
190.04941	0.9
192.06580	2.5
193.01442	0.7
193.05049	1.6
194.04518	72.7
195.04866	3.1
202.04980	2.6
206.08080	0.7
211.06061	2.0
221.06622	1.7
236.05554	1.7
245.79436	0.6
252.10234	1.3
266.08136	0.6
296.09311	10.6
340.08246	5.7
383.12201	0.9
485.15134	0.7
503.13672	0.6
518.14746	0.6
605.17224	1.2
662.19135	2.4
680.20447	9.2
681.20551	1.5
722.21466	35.0
723.22113	3.6
796.23120	3.2
808.23120	1.1
826.23993	4.8
827.24738	0.7
842.23761	0.9
844.24414	0.9
856.25262	9.1
857.25366	2.6
858.25165	2.4
859.28925	0.7
868.25116	12.1
869.25916	1.5
874.26141	27.5
875.26538	4.5
898.26270	1.4
1002.29517	2.9
1003.29810	1.2
1020.29803	20.0
1021.30670	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	1018.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01240	4.6
73.02827	1.4
87.00750	0.7
89.02330	2.4
92.04938	1.3
93.03374	0.8
95.01279	1.2
97.02803	0.9
100.12731	0.7
101.02319	5.1
104.04886	0.9
109.02843	4.3
113.02335	1.9
117.03352	3.1
119.03394	1.1
120.04444	1.7
121.02835	1.2
122.05998	1.5
123.04440	1.2
125.02349	1.6
130.02873	0.8
131.03606	1.4
132.02065	9.7
132.04448	2.8
133.02853	26.0
134.03621	8.4
135.04425	1.7
136.04018	0.8
143.03464	0.9
145.02861	5.5
146.02336	1.0
146.06027	1.2
147.03174	2.3
148.03951	51.6
149.04576	2.8
149.05956	1.0
150.05510	88.6
151.05856	3.1
158.06023	1.4
160.01578	25.3
160.03961	2.2
161.02351	83.8
161.04509	3.1
162.02701	3.2
164.03439	1.9
174.05528	2.8
175.03914	27.5
176.04385	1.0
179.05502	0.7
192.06592	1.3
193.05019	7.4
194.04515	69.6
195.04842	2.1
200.03499	1.0
202.05034	21.9
203.05469	1.5
220.02354	0.8
221.06570	2.1
246.04050	22.8
247.04341	1.7
296.09158	0.9
311.07907	1.2
312.08612	3.3
340.08212	1.1
356.07727	39.0
357.08173	2.1
359.85919	0.7
371.80157	0.7
661.20166	3.7
662.20111	1.9
680.20355	17.0
681.20953	2.2
826.24274	1.1
842.23419	3.2
856.25153	100.0
857.25531	16.3
872.24329	1.2
1018.28461	10.0
1019.28821	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	1018.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	7.8
71.36433	2.0
73.02829	1.3
83.01267	1.9
83.75840	0.9
85.02813	2.6
87.00770	1.8
89.02306	4.3
92.04919	2.2
93.03330	1.6
93.52441	1.0
97.02851	1.2
99.00735	1.2
101.02322	8.1
109.02849	3.8
113.02316	3.6
117.03351	13.1
117.96095	0.9
118.02891	1.3
118.03690	1.7
119.03362	2.1
119.04916	3.6
120.04465	2.3
121.02802	1.7
122.06022	1.5
123.04402	2.6
124.01540	0.9
125.02386	1.8
130.02905	1.2
131.03535	1.1
132.02068	9.2
132.04413	2.9
133.02861	24.9
134.03635	10.0
135.04463	5.0
136.03906	1.6
137.02330	2.7
143.03435	1.5
145.02856	48.7
146.03241	2.2
146.06044	2.3
147.03206	5.6
147.04216	1.1
148.03947	60.5
148.76717	1.1
149.02385	2.2
149.04698	5.8
149.05722	0.8
150.05510	100.0
151.05861	4.0
158.06058	0.9
160.01573	26.4
160.03868	1.9
161.02351	64.3
161.04269	4.6
162.02733	2.8
164.03452	5.7
166.05013	4.4
174.05490	3.1
175.03934	27.0
176.01045	3.9
176.03331	1.2
177.01866	1.8
178.02563	0.9
179.03448	2.2
179.05513	2.8
190.04977	1.0
191.03413	2.5
192.02962	1.6
192.06702	1.0
193.04993	8.3
194.04512	76.0
195.04875	3.4
201.04137	1.0
202.05019	11.5
203.05447	1.2
209.04559	2.0
210.04037	3.2
216.06543	1.1
217.05011	1.7
218.04483	2.5
221.06638	2.5
236.05431	1.0
246.04044	8.7
262.03778	1.7
268.09723	2.1
284.09195	1.5
292.88052	1.1
294.07626	3.0
296.09293	4.0
309.29468	0.9
310.07196	1.8
312.08759	9.2
326.10281	3.8
338.06503	1.2
340.08267	4.5
356.07712	16.8
357.08185	1.1
370.09283	1.4
372.51822	0.9
518.15033	1.7
559.16278	1.6
647.18262	4.3
661.20087	5.0
662.19568	3.9
664.18994	1.6
680.20416	27.3
681.20410	3.3
694.19922	1.4
789.07117	1.0
808.22931	2.5
810.24982	1.2
826.24048	11.3
827.24652	1.9
842.23627	23.8
843.24573	4.1
856.25226	51.6
856.75146	1.1
857.25256	9.8
872.24817	14.2
873.25043	2.8
974.27173	1.4
1002.28296	1.7
1018.28387	29.8
1019.29077	7.1
1029.80505	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	101.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22351	3.5
55.01755	13.9
57.03322	58.5
59.01256	32.7
67.82926	3.4
69.75573	3.2
69.80933	20.7
71.01254	21.5
73.02824	52.8
83.01281	4.5
90.28951	3.8
90.90871	4.4
100.94489	49.8
100.95063	6.0
101.02321	100.0
101.92381	5.9
102.02691	3.4
102.05480	20.0
110.05733	3.7
114.82652	3.8
117.79664	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	1011.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50481	0.4
78.95778	20.0
96.96837	1.7
109.98524	0.3
150.97926	0.4
152.99500	28.8
153.99838	0.5
166.48476	0.3
171.00558	7.8
227.03221	2.6
245.04295	49.7
246.04613	1.2
253.21710	23.3
254.22116	1.6
277.04538	0.3
279.23288	3.1
414.49725	0.4
481.25745	100.0
482.26053	8.0
482.32565	0.6
507.27393	2.0
1011.50946	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	1018.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	5.4
73.02806	1.5
79.45975	0.3
83.01261	1.4
84.14501	0.3
85.02831	1.7
87.00769	0.9
89.02321	2.8
92.04943	1.2
93.03371	0.7
94.02856	0.3
95.01271	0.8
96.95865	0.4
97.02833	1.0
99.00776	0.6
101.02321	5.6
104.04938	0.7
105.03355	0.6
108.02056	0.6
109.02846	2.8
113.02318	2.4
115.03879	0.4
117.03340	5.1
118.02862	0.6
118.03639	0.4
119.03374	1.4
119.04910	0.4
120.04438	1.3
121.02825	1.0
122.06024	2.0
123.03151	0.4
123.04414	2.1
125.02299	1.6
130.02904	0.7
131.03613	2.0
132.02080	10.5
132.04424	3.8
133.02855	39.5
134.03654	9.3
135.04422	5.4
137.02345	0.6
138.01895	0.4
143.03409	0.9
145.02859	9.3
146.02258	0.6
146.03247	0.9
146.06036	2.0
147.03204	2.7
147.04314	0.7
148.03949	55.7
149.02478	0.6
149.04608	3.9
149.05978	0.9
150.05511	100.0
151.05861	4.8
158.05988	1.0
159.03120	0.3
160.01576	28.9
160.03903	2.1
161.02350	91.9
161.04510	3.0
162.02716	3.3
162.05505	0.8
164.03452	2.2
164.07068	0.7
174.05542	2.6
175.03922	26.7
176.04327	1.2
177.01913	0.5
178.02647	1.2
179.03423	1.0
179.05550	1.2
184.03957	0.6
192.06610	1.2
193.03398	0.5
193.05006	6.0
194.04512	70.3
195.04854	3.9
196.05092	0.3
200.03365	0.5
201.04259	0.5
202.05026	16.0
203.03433	0.3
203.05315	0.6
204.06615	0.8
205.07237	0.3
206.04527	0.7
208.06097	0.4
220.02525	0.7
221.06670	1.7
236.05580	0.6
246.04050	16.5
247.04361	0.6
265.87823	0.4
275.77991	0.3
282.11340	0.5
296.09235	0.9
311.07983	0.9
312.08624	1.8
326.10272	3.8
335.28934	0.3
340.08380	0.8
356.07739	29.9
357.08136	2.5
370.09363	1.2
383.11951	0.9
483.68356	0.3
647.18091	2.8
648.18921	0.4
661.19769	1.8
662.19720	1.5
680.20410	20.7
681.20599	2.5
760.19531	0.5
826.24768	0.5
842.23566	20.1
843.23724	3.3
856.25140	79.1
856.74512	2.7
857.25482	15.9
857.42334	0.6
857.75500	0.7
872.24524	0.5
882.23157	0.6
929.76648	0.7
944.77716	1.6
1018.28271	18.7
1019.28705	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	1004.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	1.4
71.50154	0.3
71.50526	0.4
72.99199	0.3
73.49777	0.3
75.00733	0.8
78.95781	6.1
85.02842	1.3
87.00757	0.7
99.00749	0.4
113.02323	1.7
121.99978	0.3
140.01079	1.9
152.99529	1.1
173.19286	0.3
175.02275	0.4
193.51437	0.3
196.03745	1.1
209.15605	0.3
214.04803	2.0
244.10754	0.3
261.22327	0.3
277.21719	5.1
278.22095	0.4
279.23291	100.0
280.23590	6.5
280.26398	0.6
384.64276	0.3
441.53391	0.3
476.27823	53.2
477.28229	4.1
505.25604	1.5
527.20581	0.6
527.28625	12.2
528.29034	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	1009.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	3.5
73.02829	0.7
73.85928	0.5
78.98067	0.5
78.98466	3.4
79.95606	6.7
80.96392	40.4
81.03349	0.6
85.02834	2.0
85.03367	0.4
87.00747	1.6
88.98683	1.7
94.75826	0.4
94.97963	9.4
96.95916	1.0
97.02815	0.6
101.02324	1.7
105.01815	0.8
106.97952	1.7
115.65250	0.5
122.97471	3.9
125.02337	2.0
127.03907	0.8
134.97508	2.9
136.99051	0.9
148.99054	3.5
152.98518	4.9
164.98538	7.9
166.74702	0.4
182.99606	1.4
190.44972	0.5
206.99658	1.9
225.00713	15.7
243.01723	1.7
251.38412	0.5
277.21646	2.3
299.04324	2.6
450.81339	0.6
577.26874	100.0
578.27240	11.9
754.68982	0.6
995.47198	0.5
1019.36963	0.6
1044.77295	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	1002.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02187	0.7
78.95773	22.1
91.51237	0.2
96.96825	1.6
98.20568	0.2
98.36455	0.2
150.97874	0.4
152.99490	35.4
153.99846	0.7
170.31761	0.1
171.00552	10.4
180.07521	0.2
218.89481	0.2
227.03221	2.5
230.69943	0.2
230.87242	0.2
243.36075	0.2
245.04280	53.3
246.04622	1.4
246.56242	0.2
253.21704	24.2
254.22098	1.6
481.25702	100.0
482.26038	10.3
546.85840	0.2
598.87036	0.2
781.55737	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	1002.6063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51041	0.4
74.20499	0.2
77.27134	0.2
78.95774	30.6
80.11204	0.2
91.17695	0.2
92.51511	0.2
95.45295	0.2
96.96839	2.6
99.92476	0.4
110.96720	0.3
116.92730	2.0
150.97929	0.5
152.99486	41.9
153.99831	0.7
171.00549	11.7
227.03180	2.5
245.04277	55.6
246.04578	1.7
253.21701	24.3
254.21997	1.2
297.73431	0.2
308.75183	0.3
481.25708	100.0
482.26028	9.1
834.95679	0.3
855.10150	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	1002.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	19.5
71.49876	1.0
72.99183	1.6
73.02804	6.3
83.01247	2.7
83.34426	1.0
83.43558	1.0
85.02833	5.4
87.00726	3.4
89.02307	10.7
92.04912	6.1
95.01239	2.5
97.02808	5.3
98.27399	0.9
99.00710	1.2
101.02319	18.4
104.81452	1.2
106.02854	0.9
109.02873	1.3
111.00744	1.0
113.02329	10.8
117.02583	1.2
117.03352	15.5
118.02870	2.2
119.03374	3.6
119.04931	2.4
120.04425	5.4
121.02817	4.0
125.02332	5.7
130.02872	3.3
131.03444	3.4
132.02060	2.4
134.03661	6.6
135.04381	2.9
136.05206	5.1
143.03423	1.6
145.02853	40.9
146.02310	2.4
146.03313	1.9
147.03142	6.5
148.03943	100.0
149.04599	5.7
149.05933	2.0
150.05501	20.5
158.48183	1.0
160.01556	6.8
160.03958	1.3
161.02441	2.5
161.04440	8.9
162.05505	1.7
163.03886	1.3
172.03905	2.9
173.02379	1.0
174.05550	1.4
175.03908	4.1
179.05510	3.6
184.03926	1.1
188.03378	1.2
190.05005	2.1
192.02983	1.3
193.04916	2.7
194.04517	10.0
195.06535	8.9
202.05038	1.2
216.02936	2.4
221.06694	5.3
234.04057	1.3
263.07855	1.4
293.06741	1.7
296.09216	5.7
308.09201	3.3
336.08844	1.7
340.08044	1.7
370.09378	2.5
383.11908	2.1
485.15277	1.3
611.89038	1.1
616.18488	1.4
634.19629	1.3
661.19391	1.4
680.20135	2.3
767.91858	1.2
856.25128	83.9
857.25684	11.2
1002.28699	41.0
1002.49634	2.2
1003.29437	7.3
1032.98486	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	1002.288
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79960	0.7
70.80299	1.1
70.94091	0.5
71.01254	5.2
73.02819	1.5
76.57199	0.5
78.58720	0.4
83.01231	0.9
85.02826	1.4
87.00798	1.0
89.02317	3.0
92.04921	2.0
93.03319	1.0
93.88898	0.6
95.01241	0.7
97.02835	1.3
101.02325	5.8
109.02843	1.3
113.02368	3.1
117.03350	19.3
119.03386	1.0
119.04932	1.1
119.21061	0.4
120.04449	1.3
121.02862	0.9
122.06021	1.6
123.04421	1.6
125.02324	1.3
131.03647	2.3
132.02068	11.7
132.04437	3.5
133.02861	1.4
134.03630	15.1
137.02425	0.5
138.01872	0.5
143.03351	0.9
145.02853	59.3
146.03232	2.1
146.05911	1.1
147.03171	2.1
147.04369	0.9
148.03949	57.3
149.04625	5.0
149.05981	1.8
150.05510	100.0
151.05844	3.5
160.01575	39.5
160.03815	1.6
161.02385	4.2
161.04440	3.2
162.05565	1.1
164.03427	1.9
174.05539	1.7
175.03928	26.8
176.04482	0.6
178.02664	1.4
179.05458	1.1
179.39311	0.5
188.97702	0.6
192.06633	1.1
193.05035	8.4
194.04518	66.2
195.04893	2.5
202.05016	2.2
204.06712	0.8
208.70062	0.5
221.06647	2.8
252.10304	1.6
286.30057	0.6
296.09232	8.7
297.09625	1.2
340.08252	6.7
341.08701	0.6
393.04794	0.5
467.01212	0.6
661.19617	4.2
662.19794	2.4
680.20422	17.8
681.20673	1.8
783.43250	0.6
826.24200	9.1
827.24176	1.4
856.25189	81.7
857.25513	13.7
1002.28870	24.3
1002.50006	0.9
1003.29297	6.3
1008.18915	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	1002.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	7.0
73.02811	1.8
81.03329	0.8
83.01281	0.9
84.36565	0.4
85.02810	1.8
87.00749	0.8
89.02311	2.2
89.03800	0.4
90.89449	0.4
92.04939	1.4
93.03338	1.4
95.01256	0.6
97.02836	1.6
99.00779	0.5
101.02319	5.5
104.04954	0.7
108.02049	0.5
108.04438	0.4
109.02821	1.6
111.00752	0.4
113.02327	3.4
117.03345	20.1
117.04194	1.0
118.03649	0.6
119.03387	1.3
119.04919	1.1
120.04483	1.0
121.02838	1.2
122.06009	2.1
123.04426	1.4
125.02350	1.9
131.03540	1.6
132.02065	11.1
132.04446	3.5
133.02873	1.9
134.02614	0.5
134.03625	13.2
137.02325	0.8
138.01895	0.5
143.03371	0.9
145.02850	57.8
146.03220	2.1
146.06004	1.4
147.03151	2.9
147.04314	0.7
148.03941	57.5
149.04774	5.5
149.05956	1.0
150.05504	100.0
151.05836	3.1
160.01567	37.7
160.03893	2.1
161.02333	5.1
161.04437	2.9
162.05510	1.8
164.03456	1.9
164.07050	0.6
174.05519	2.4
175.03922	28.4
176.04433	0.9
178.02634	1.5
179.05507	1.1
186.05457	0.6
192.02800	0.5
192.06598	1.2
193.03375	0.6
193.05005	10.2
194.04507	62.0
195.04915	1.9
195.17702	0.4
201.04237	0.5
202.05031	2.6
204.06598	0.6
216.06712	0.5
221.06674	2.1
235.06212	0.5
236.05605	0.7
252.06578	0.6
252.10292	1.1
254.08186	0.6
268.09714	0.7
296.09241	8.8
297.09604	0.5
302.01859	0.4
315.42676	0.4
340.08191	8.2
341.08777	0.6
354.09396	0.7
384.98459	0.4
485.15302	0.6
638.38629	0.4
661.19958	3.3
662.19720	2.0
680.20349	17.1
681.20868	2.1
808.22327	0.9
811.24677	0.7
826.23999	9.2
827.23944	1.4
856.25116	75.4
857.25348	11.4
1002.28766	22.1
1003.29291	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	1001.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	82.9
72.01610	1.9
72.99181	9.1
73.02805	1.9
83.01270	3.1
85.02823	16.6
87.00755	10.0
89.02315	99.3
93.03320	5.9
95.01263	6.2
95.04890	1.8
101.02323	54.4
101.99834	1.3
104.20833	1.9
108.02058	2.4
109.02823	6.1
113.02328	35.4
116.92722	2.1
117.03342	2.9
119.03386	46.4
121.02829	10.5
122.03619	15.5
123.00771	4.7
125.02332	1.9
131.03419	6.8
133.02849	3.5
134.03639	3.0
136.01553	36.2
137.02344	28.9
139.00250	1.7
139.03929	1.7
143.03371	10.8
145.02849	7.9
146.03644	6.5
147.04350	2.8
149.02348	34.5
149.04420	5.8
150.03123	85.5
151.00288	20.7
151.03917	89.2
152.01006	1.8
152.04439	5.0
153.01852	4.3
156.42935	1.4
161.02362	12.3
161.04417	9.0
161.05763	1.8
162.03142	50.9
163.03825	1.6
164.01033	3.2
164.04729	7.8
165.01843	94.3
165.05476	74.7
166.02628	52.8
166.06155	2.0
167.03261	4.8
175.03920	10.6
176.04677	3.7
177.01854	56.2
177.05464	37.2
178.02359	4.1
179.03419	20.2
179.05510	34.6
179.07025	4.9
180.04192	57.5
181.04985	100.0
182.05305	4.3
187.03922	2.3
191.03424	5.2
191.07060	3.4
192.04216	39.2
193.04759	2.6
194.05885	2.9
195.02914	5.7
195.06558	97.3
196.06902	3.0
205.04941	7.8
207.06566	32.0
210.05234	9.5
219.06572	3.7
220.07321	2.8
225.07632	38.8
357.11987	3.2
359.11261	2.1
387.10452	2.7
387.13852	4.7
388.11557	1.6
402.13205	3.0
416.14532	3.8
417.15558	26.1
418.16125	1.8
549.17371	1.7
550.18329	1.7
564.19666	4.5
565.20844	18.3
577.20807	8.6
594.21509	2.9
595.21924	23.6
596.22565	2.3
607.21887	4.6
608.22015	1.6
613.23071	12.7
625.22839	2.8
643.23950	6.9
682.30487	1.6
755.27124	44.5
756.27142	6.7
775.28815	2.3
785.28198	2.2
791.29199	5.0
803.29126	23.7
804.29443	4.6
839.31079	6.5
953.34290	7.9
1001.36011	10.3
1002.35748	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	993.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32401	0.3
69.32829	0.3
71.06990	0.1
71.07371	1.8
79.05480	0.2
81.07046	0.3
81.14268	0.1
84.67729	0.1
86.09701	22.7
87.10036	0.2
91.05458	0.1
93.07056	0.1
95.08610	0.2
98.98459	2.1
104.10053	0.1
104.10733	2.2
107.08539	0.1
109.10120	0.1
116.99522	0.1
124.99994	15.3
143.01042	0.2
152.77449	0.1
160.37169	0.1
166.02724	0.1
184.07329	100.0
185.07687	0.6
218.96613	0.1
258.10959	0.1
332.65179	0.1
335.25790	0.1
500.31287	2.3
518.32410	23.7
519.32788	0.8
576.29327	0.1
661.43549	0.1
685.60577	0.1
1005.63910	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6242
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	0.2
70.06582	0.1
71.07369	2.1
78.13602	0.1
79.05476	0.1
81.07053	0.4
83.08620	0.1
85.77617	0.1
86.09702	27.3
87.10020	0.1
91.05461	0.1
93.07037	0.1
95.08594	0.3
98.20765	0.2
98.98461	2.3
104.10052	0.1
104.10738	2.5
124.99997	19.0
126.00315	0.1
133.10126	0.1
143.01028	0.3
166.02728	0.1
184.07330	100.0
185.07721	0.5
212.34300	0.1
230.02603	0.1
243.94070	0.1
258.11075	0.2
295.67767	0.1
309.45175	0.1
337.27359	0.1
502.32895	1.9
520.33966	20.6
521.34344	0.3
740.37042	0.1
841.66833	0.1
910.51331	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	2.4
69.81590	0.2
70.06564	0.1
71.04992	0.1
73.02919	0.0
73.49462	0.0
77.03925	0.1
79.05479	0.5
81.03413	0.5
85.02900	2.1
87.04469	0.1
89.03907	4.3
91.03947	0.1
91.05475	2.2
95.04955	0.2
97.02300	0.1
97.02882	0.8
99.04455	0.2
101.18848	0.0
103.05443	0.1
105.04516	0.1
107.04211	0.1
107.04950	1.2
109.02872	0.4
117.03374	4.9
119.04931	5.5
120.05281	0.1
123.04408	0.1
127.03905	1.3
131.04820	0.1
132.04419	0.2
134.06125	0.0
135.04405	12.3
136.04752	0.2
137.02322	0.1
144.11086	0.0
145.02841	10.2
145.04889	0.3
146.03166	0.1
147.04399	30.7
148.04742	0.4
149.05820	0.0
150.05518	0.8
158.06049	0.1
163.03885	100.0
164.04221	1.3
165.05478	0.1
173.06032	0.1
177.05484	0.2
178.05031	0.1
181.04947	2.1
185.06023	0.0
186.05513	0.3
191.03329	0.1
196.06030	0.5
201.05551	0.1
202.05121	0.0
247.05975	0.1
289.07050	0.2
291.08615	0.1
307.08099	3.0
308.08554	0.1
309.09726	0.3
325.09158	9.6
326.09595	0.2
342.09698	4.2
343.10126	0.1
358.11496	0.1
471.13239	0.1
487.14462	3.5
488.14462	0.2
504.14999	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	993.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07032	0.7
70.06590	5.7
71.07373	5.3
71.58213	1.4
72.08148	1.2
79.05497	0.9
81.07043	2.0
83.44379	0.5
86.09702	49.0
91.05482	1.1
93.07025	2.3
95.08601	1.9
98.98448	3.5
104.10738	98.5
105.07045	1.1
107.08574	1.2
110.07156	0.8
120.08083	0.7
124.99094	1.4
124.99995	24.1
129.10274	1.1
143.01036	0.7
163.01607	0.8
167.08163	0.8
169.09668	1.0
183.14909	1.9
184.07333	100.0
185.09200	0.6
211.14278	0.9
258.11206	1.0
335.25818	1.0
500.31403	8.9
518.32416	95.4
519.32739	1.8
684.16724	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	984.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	0.2
69.07067	10.5
69.34023	1.6
71.04980	0.6
71.08249	0.2
71.08630	0.5
79.05490	4.7
81.07052	18.2
82.07384	0.3
83.04971	0.5
83.08614	5.7
85.06556	0.4
91.05475	3.3
93.07036	4.9
95.04937	0.3
95.08601	14.3
97.06512	1.1
97.10167	3.3
98.06036	0.3
98.21514	0.4
98.98468	0.5
99.08081	0.4
105.07024	2.2
107.08595	2.8
109.06520	0.2
109.10149	6.0
111.08081	0.8
111.11717	0.7
119.08574	2.3
121.10128	2.3
123.08031	0.5
123.11690	2.8
124.01582	0.4
125.09624	0.6
133.10127	2.2
135.11693	1.4
137.09660	0.3
137.13232	0.7
139.11159	0.2
147.11662	1.7
149.13258	0.5
151.11156	0.3
151.14819	0.2
151.74777	0.2
153.12650	0.3
161.13278	1.0
163.14836	0.6
165.16391	0.2
175.14836	0.8
180.04201	0.2
182.45824	0.2
186.64499	0.2
198.05238	0.5
203.17969	0.2
216.06305	0.7
245.22792	0.2
263.23700	0.6
306.27911	2.1
306.60425	0.2
337.27341	100.0
338.27704	3.0
460.28107	0.7
478.29346	3.0
829.97711	0.2
984.56244	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	978.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59251	15.0
71.07379	6.7
77.03419	3.7
83.08562	3.6
86.09241	3.4
86.09708	44.5
86.88136	3.5
87.02073	3.5
89.32957	3.2
93.74009	3.2
97.10207	4.1
104.10064	5.6
104.10738	100.0
105.74612	3.2
125.00011	24.2
184.07333	86.2
184.08968	4.2
185.07593	4.4
196.67667	3.1
232.42531	3.3
330.11456	4.2
384.38568	3.5
478.32614	4.5
496.33926	90.8
497.34290	7.6
518.33038	4.6
719.44037	4.1
828.88287	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	983.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	20.7
69.07068	5.4
71.01331	2.5
71.04970	2.9
71.29330	1.6
71.29649	0.7
73.02908	20.4
75.04440	1.5
79.05486	13.2
81.03408	17.6
81.06590	1.5
81.07047	21.2
83.01342	1.2
83.04999	3.8
83.08599	2.6
85.02898	100.0
86.40450	0.7
87.04459	3.5
91.03948	54.8
91.05471	12.1
92.91694	0.8
93.07034	16.5
95.04945	4.1
95.07993	1.1
95.08596	19.8
97.02884	66.4
97.06498	1.0
97.10136	1.2
99.04454	9.3
101.02356	2.9
103.03936	9.4
105.07023	9.0
107.04946	0.9
107.08591	9.8
109.02874	10.5
109.06467	1.3
109.10145	9.3
111.04433	3.7
111.08073	1.0
113.06001	1.1
115.03920	5.8
117.05467	2.8
117.06978	3.9
119.08582	8.8
121.06492	1.0
121.10131	9.4
123.04398	1.1
123.08040	1.0
123.11709	5.2
127.03911	39.3
129.05478	4.4
129.06987	2.1
131.08514	7.1
133.10129	6.2
135.11678	8.0
137.05986	1.4
137.09555	1.1
137.13216	1.7
141.06976	1.3
143.08549	2.1
145.04948	40.4
145.10109	5.7
147.08069	0.9
147.11681	3.9
149.13239	4.2
155.07079	1.2
155.08401	1.1
157.10072	2.0
159.06512	2.7
159.11708	5.5
161.13242	3.7
163.06009	44.4
163.07391	2.2
163.11208	1.0
163.14801	1.9
169.10077	1.0
171.06543	1.8
171.11674	2.0
173.04433	2.1
173.13264	3.5
175.11183	1.0
175.14847	2.0
177.12727	1.0
177.16312	1.3
181.10062	1.1
183.06514	8.8
185.13251	2.6
187.14833	2.3
193.09982	0.9
193.96869	0.8
197.13321	2.0
201.07556	6.1
204.08542	1.2
211.14784	1.0
215.14441	1.2
219.08617	2.0
229.07019	1.1
238.71223	0.8
241.06996	1.1
243.21051	6.2
259.20560	2.3
261.22153	16.7
263.23730	1.1
271.08176	0.9
273.22128	1.0
277.21567	1.6
279.23276	1.1
285.22116	1.4
287.23862	1.0
289.09055	1.4
289.21597	1.0
301.21783	1.3
303.23080	3.4
313.21552	1.0
315.23254	4.2
317.24619	1.5
323.23566	1.3
325.11340	1.6
327.23038	2.3
333.24323	1.8
335.25790	45.8
336.26163	1.7
341.24643	2.3
345.24017	1.9
351.23178	3.7
353.26764	2.4
359.25623	1.2
363.25171	2.5
369.24042	5.6
377.26883	6.9
387.25131	3.0
389.26929	2.7
401.27008	1.0
405.26239	2.5
419.27719	2.6
425.27066	1.1
431.27676	2.0
443.27969	9.0
461.29114	6.6
479.29968	16.3
487.87750	0.9
497.30988	5.6
601.89844	0.9
786.10248	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	974.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	1.5
70.06585	0.1
71.54576	0.1
71.54937	0.1
73.02902	0.1
81.03398	0.3
84.08162	0.1
85.02901	1.3
86.09747	0.1
89.03889	0.0
91.05473	5.9
92.05815	0.1
95.04977	0.1
97.02879	0.6
99.04458	0.1
105.07024	0.1
107.04958	0.2
109.02876	0.2
119.04931	15.9
120.05278	0.2
120.08082	0.1
121.02853	0.1
123.04437	0.1
125.02362	0.1
127.03917	0.9
132.04413	0.1
133.06407	0.1
142.31166	0.1
145.02924	0.1
145.04958	0.2
145.06473	0.1
147.04395	100.0
148.04733	1.2
149.05963	0.1
150.05495	0.7
165.05472	1.9
165.06894	0.1
173.06018	0.1
177.05470	0.2
178.04916	0.1
187.07521	0.1
189.05432	0.1
196.06059	0.6
206.11919	0.1
229.08380	0.1
231.06502	0.1
273.07587	0.2
283.53784	0.1
291.08588	1.9
308.86578	0.1
309.09656	6.2
310.09894	0.1
342.09689	4.0
343.09976	0.1
417.20215	0.1
435.12772	0.1
471.14981	1.3
504.14981	0.6
746.19916	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.6
70.06587	0.1
70.75819	0.1
73.02901	0.1
75.02386	0.0
77.03899	0.0
81.03419	0.3
83.01321	0.0
85.02901	1.3
86.09735	0.0
91.05474	5.7
92.05798	0.1
95.04982	0.0
95.24784	0.0
97.02894	0.6
99.04433	0.1
107.04954	0.1
109.02852	0.2
119.04932	16.4
120.05219	0.2
121.02819	0.1
127.03894	1.1
132.04414	0.1
133.06482	0.0
145.02812	0.1
145.04927	0.2
145.06548	0.0
147.04398	100.0
148.04738	1.4
150.05481	0.4
157.06529	0.1
165.05464	2.0
166.06010	0.0
177.05470	0.1
178.04997	0.1
189.05556	0.0
196.06058	0.3
203.07076	0.0
231.06552	0.1
273.07410	0.1
291.08600	2.4
292.08893	0.0
309.09659	7.8
310.09955	0.1
342.09686	3.0
343.09805	0.1
414.05362	0.0
471.14948	3.1
472.15204	0.1
504.15063	0.4
587.68719	0.0
619.23962	0.1
666.19434	0.0
729.18445	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5675
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.3
69.07063	2.7
70.70187	1.0
71.04955	0.3
71.08629	11.1
75.04467	0.3
79.05470	0.6
81.07056	5.2
83.08612	4.2
85.10181	7.7
89.06010	1.3
93.07043	0.6
95.08606	8.7
97.06535	0.3
97.10167	2.5
98.98469	3.8
99.11706	0.3
101.06020	0.4
103.07552	0.8
109.10161	4.0
109.96812	0.3
111.11713	0.4
117.09082	0.4
122.97109	0.3
123.11695	1.8
125.13280	0.3
137.13211	0.4
149.13248	0.3
150.93372	0.2
151.44005	0.2
155.01048	1.6
173.02104	0.5
239.23698	1.4
247.05734	0.4
257.22433	0.3
257.24744	1.6
311.25919	0.5
313.27356	100.0
314.27750	1.8
333.79208	0.2
346.01373	0.3
348.18326	0.3
449.21408	0.3
449.26706	2.5
525.94800	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	962.5722
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	6.0
68.43916	0.1
69.07066	11.9
70.07388	0.2
71.04974	0.5
71.08630	2.3
73.06541	0.3
79.05490	3.0
81.07052	8.4
82.42558	0.1
83.04957	0.4
83.08615	10.2
85.06522	0.4
85.10175	1.3
91.05458	0.5
93.07039	4.6
95.08603	8.0
97.06525	1.5
97.10159	5.8
98.06014	0.2
98.20753	0.4
98.98448	0.3
99.08060	0.1
101.05974	0.2
107.08587	3.0
109.10155	3.7
111.08081	1.2
111.11706	1.9
113.09641	0.1
113.83004	0.1
121.10136	4.8
122.10532	0.1
123.11710	1.2
124.01567	0.3
125.09629	0.7
125.13240	0.2
129.30914	0.1
135.11688	4.1
137.13237	0.4
139.11214	0.7
145.79393	0.1
149.13249	2.0
151.14726	0.3
153.12752	0.5
155.14290	0.1
163.14821	0.6
165.16389	0.4
167.14314	0.3
173.02084	0.2
177.16388	0.4
198.05286	0.4
211.57690	0.1
216.06232	0.6
247.24202	0.6
254.80132	0.1
265.25244	1.0
266.50055	0.1
308.29483	2.7
311.25818	0.1
339.28912	100.0
340.29214	4.2
408.29831	0.1
462.29825	0.7
480.30807	2.6
518.07709	0.1
751.78351	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	61.6
69.03420	3.4
69.06735	1.0
69.07066	16.1
70.77733	2.6
71.04981	2.0
73.02905	4.5
79.05491	37.8
81.03419	1.7
81.07050	65.6
82.07375	0.9
83.04961	2.4
83.08627	8.1
85.02899	15.9
85.06515	1.2
85.80173	0.7
91.03950	11.4
91.05473	25.1
93.07040	47.7
95.04970	4.9
95.08601	50.6
97.02887	8.6
97.06506	3.4
97.10144	4.8
99.04440	1.1
99.08076	1.2
103.86204	0.7
105.07026	21.2
107.08585	27.6
109.02837	0.9
109.06520	1.8
109.10146	25.2
111.08064	2.3
117.07001	8.3
119.08566	16.3
121.10135	21.2
121.11023	0.8
123.08045	1.5
123.11710	9.0
125.09614	0.9
127.03905	5.2
129.05573	0.9
129.07008	1.4
131.08560	12.5
133.10120	15.7
134.53729	0.8
135.11682	15.7
137.13245	3.2
143.08531	2.1
144.06563	0.9
145.04901	5.9
145.10107	10.9
147.11679	13.6
149.13260	10.4
151.14848	0.8
155.08522	1.0
157.10109	2.7
159.11681	9.3
161.13263	8.8
163.05968	7.6
163.14815	5.8
171.11691	3.6
173.13235	7.4
175.14827	5.0
177.16383	1.7
180.08742	0.8
183.11647	1.2
185.13242	2.8
187.14845	4.9
189.16423	0.9
199.13144	0.9
199.14792	1.6
201.16397	1.7
203.17867	0.8
211.14809	1.0
213.16434	1.2
217.73726	0.7
220.28697	0.8
227.17889	0.7
231.21019	1.1
241.19487	2.8
243.21059	6.7
245.18938	0.8
245.22661	0.9
259.20566	8.1
261.22125	21.1
263.23694	2.2
281.21542	0.8
300.31763	0.7
315.23300	1.0
317.24710	3.3
323.25656	0.8
333.24219	9.4
335.25781	100.0
336.26117	2.2
337.27408	12.0
408.31647	0.8
521.43341	2.9
539.44019	1.3
595.47205	15.1
613.48187	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	952.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.9
69.26217	4.9
69.26636	10.8
71.07359	1.6
74.90125	1.4
86.09708	27.2
94.46781	1.4
95.08572	1.6
98.98446	2.4
100.80035	1.6
120.53564	1.5
124.99998	17.6
133.82365	1.4
157.44803	1.5
184.07327	100.0
270.95273	1.5
280.79367	1.3
377.51779	1.3
520.33917	15.9
952.53308	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	952.5658
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00063	3.2
67.05493	7.9
71.07345	6.4
71.52283	4.4
71.52693	5.0
81.07045	8.0
82.20512	3.4
86.09699	49.9
98.98462	6.3
104.10067	6.3
104.10736	91.1
112.16634	3.5
124.99996	20.0
149.02370	18.1
149.03386	4.5
163.01373	3.6
172.43289	4.1
184.07347	100.0
193.04932	12.2
285.93756	4.1
349.86017	4.1
448.92621	3.5
468.37054	4.0
502.32437	7.9
520.27533	3.7
520.33923	98.8
543.36481	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	947.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	42.8
67.31817	0.4
69.03419	1.5
69.07066	8.6
71.04967	1.0
71.08604	0.7
73.02905	0.5
74.03242	0.4
75.04478	0.9
79.05489	28.2
81.03400	3.5
81.07050	46.0
83.04964	1.3
83.08614	4.7
85.02888	1.9
85.06525	1.7
86.09695	0.5
91.05476	15.5
93.07038	34.2
95.04955	2.5
95.08601	37.6
97.02872	1.0
97.06517	2.4
97.10166	2.3
98.20595	0.8
98.98460	32.4
99.04470	0.6
99.08070	1.5
103.03945	0.5
105.07029	11.2
107.08586	22.6
109.02834	0.7
109.06519	1.1
109.10152	15.8
111.08071	1.5
111.11686	0.6
113.09618	0.5
116.99509	1.3
117.06998	5.5
119.08576	9.7
121.10137	17.9
123.08071	1.2
123.11697	7.3
125.09621	1.0
127.03929	0.5
129.05460	0.9
129.07036	0.8
131.08563	10.3
133.06488	0.4
133.10114	7.6
135.11681	15.3
136.12016	0.4
137.05931	0.4
137.09590	1.2
137.13237	3.3
138.70464	0.4
139.11116	0.5
142.28658	0.4
143.08505	0.4
145.10104	7.3
147.11674	7.4
149.09627	0.7
149.13245	9.8
151.11150	1.2
151.14812	1.4
152.06982	0.8
153.12701	0.8
155.01025	7.6
157.10136	0.9
159.11674	8.1
161.13226	4.9
163.14795	5.9
165.12727	1.3
165.16382	0.4
169.10036	0.5
171.11682	0.7
173.02101	6.3
173.13242	7.2
175.14786	2.0
177.12717	1.1
177.16399	2.4
179.14320	1.5
183.11662	0.6
187.14821	4.9
189.16309	0.6
191.14302	0.5
192.48735	0.4
197.13049	0.4
201.16388	1.2
205.15887	1.0
215.17888	0.6
219.17459	0.8
233.22668	1.9
243.21072	14.8
259.20578	0.7
261.22119	50.0
262.22449	0.7
271.24048	0.5
279.23209	1.3
288.84702	0.4
289.21692	0.7
291.23193	0.6
317.24673	3.9
335.25778	100.0
336.26001	1.6
351.23080	0.8
353.26938	7.6
361.60428	0.4
369.24139	2.2
387.25232	1.3
405.26187	2.7
415.22589	1.4
423.27643	2.5
433.23334	0.7
497.30881	2.9
511.78076	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	947.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	37.7
69.03416	0.7
69.07063	8.7
71.04980	1.8
71.48206	1.1
71.77211	0.5
79.05490	24.1
81.03407	0.6
81.07053	42.9
83.04977	1.1
83.08616	5.1
85.02905	1.3
85.06544	0.7
88.04861	0.5
91.03982	0.8
91.05473	11.9
93.07041	29.8
95.04956	1.9
95.08605	36.4
97.02879	1.2
97.06516	2.3
97.10165	2.6
98.98466	25.9
99.08115	0.6
103.03933	0.6
105.07027	9.3
107.08591	19.2
109.06522	1.3
109.10154	17.0
111.08040	1.4
113.09632	0.7
116.99537	0.8
117.07014	4.0
119.08588	8.1
121.10139	16.6
123.08070	1.1
123.11697	7.5
125.09618	0.9
127.03857	0.6
129.05478	0.7
129.06979	0.7
131.08549	9.2
133.10106	8.8
135.07954	0.6
135.11688	12.7
137.09644	0.8
137.13234	2.6
139.11118	0.9
145.10133	6.7
147.11688	5.9
149.13254	9.7
151.11179	0.8
151.14717	0.6
155.01018	5.5
159.11691	6.2
161.13231	4.9
163.11191	0.8
163.14838	7.1
165.12694	1.1
173.02089	6.1
173.13255	7.9
175.14822	2.3
177.12769	0.7
177.16400	2.5
179.14317	1.1
187.14793	3.6
191.14265	0.7
201.16382	1.7
215.17941	0.9
220.48383	0.6
233.22722	1.6
243.21092	15.1
259.20383	0.7
261.22131	44.4
279.23267	1.5
304.88864	0.5
312.24850	0.6
312.28494	0.6
317.24628	2.9
335.25790	100.0
336.26141	2.2
348.24048	0.5
353.26846	9.0
415.22385	1.1
424.39835	0.5
433.23300	0.9
497.31174	7.6
589.52319	0.6
831.72699	0.6
870.17792	0.6
880.74194	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	936.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03893	0.5
67.05502	12.2
69.07065	4.5
69.84894	2.1
71.04989	0.7
71.08245	0.6
71.08630	9.9
76.46266	0.4
78.27183	0.4
79.05486	6.4
81.02927	0.7
81.03412	13.4
81.06599	0.8
81.07054	14.1
82.37163	0.4
83.04961	1.0
83.08616	6.8
85.02889	1.5
85.06543	0.7
85.10174	5.7
91.05487	6.4
93.07046	7.0
95.04977	5.4
95.08609	13.9
97.02895	0.7
97.06509	0.6
97.10149	2.8
98.98473	4.0
103.07509	0.5
105.07036	4.9
107.04950	1.2
107.08582	4.0
109.10153	7.6
111.08072	0.9
111.11704	0.4
113.43192	0.4
117.06989	1.2
117.18465	0.4
119.08581	3.5
120.13828	0.5
121.06548	0.5
121.10131	3.8
123.08025	0.6
123.11687	2.2
124.01614	0.9
125.09596	0.6
127.03868	0.7
129.06985	1.9
131.08562	3.3
133.10124	2.7
135.11732	2.1
137.13266	1.2
142.02628	0.8
142.07777	0.6
143.08467	0.5
145.10098	1.8
147.08014	0.5
147.11705	2.9
149.09605	1.2
149.13237	1.3
155.01048	4.0
157.10133	1.7
159.11661	1.6
161.13330	0.8
162.20746	0.4
163.06009	0.7
163.11209	0.8
163.14801	0.7
165.12770	0.6
171.11737	0.6
172.39777	0.4
173.02116	1.1
173.13283	1.5
175.11195	1.3
175.14885	0.6
187.14766	0.6
189.11195	0.8
192.33931	0.5
193.12245	3.9
198.05232	1.4
211.13135	0.6
216.06346	2.6
219.13594	0.5
227.12752	1.3
235.13339	0.5
239.23692	1.9
243.21107	1.2
249.14943	0.7
257.24820	0.6
259.13379	0.6
261.22128	3.8
267.15915	15.5
273.14709	0.7
282.27914	10.4
301.25336	1.2
309.17203	0.6
313.27350	100.0
314.27652	2.1
317.24591	0.5
335.25797	19.9
393.23975	8.3
407.23965	0.5
417.26062	0.5
421.26114	0.6
435.27386	0.7
435.32764	0.9
436.28229	25.4
437.28439	0.6
453.33417	1.5
454.29266	25.8
455.29901	0.6
471.34958	0.8
527.37268	13.1
528.38013	0.7
544.63641	0.5
545.38373	11.7
545.46729	0.7
546.38281	0.9
559.40118	0.9
569.38043	1.8
623.39221	0.8
627.00702	0.4
635.39307	0.5
671.40814	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	922.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.2
67.05499	60.1
68.05829	0.9
69.03421	5.2
69.07063	15.6
69.95518	4.5
71.04978	3.3
73.02904	1.9
77.03936	0.9
79.05486	47.1
81.03410	74.7
81.07047	59.8
82.03721	0.8
82.07371	0.9
83.04988	6.9
83.08611	20.8
85.02895	8.9
85.06518	1.9
91.03962	5.2
91.05474	32.3
91.15129	0.9
93.07034	49.9
93.32510	0.8
95.04961	28.5
95.08598	43.6
97.02869	5.8
97.06525	6.3
97.10165	8.2
99.08079	1.7
105.07021	28.1
107.04956	7.3
107.08580	27.6
107.09307	1.2
109.06495	6.0
109.10143	19.8
110.43044	0.8
111.04445	1.3
111.08073	6.9
113.06014	1.0
115.05438	2.3
117.07009	8.9
119.08570	27.1
121.06470	6.1
121.10130	25.5
123.04402	2.8
123.08044	3.7
123.11697	9.0
125.05962	0.9
125.09619	5.7
127.03892	2.2
128.06314	1.1
129.06995	12.1
131.08549	19.1
133.06461	3.1
133.10117	16.6
135.08060	2.5
135.11684	14.8
137.09628	3.2
137.13252	1.6
139.11185	1.4
142.07777	2.3
143.08554	3.7
145.04936	2.7
145.10121	12.7
147.04416	1.4
147.08025	3.3
147.11684	15.8
149.09612	5.5
149.13242	7.9
153.09105	1.6
155.08546	1.7
157.10104	13.3
159.11658	9.1
161.09633	1.3
161.13255	6.6
163.06030	6.4
163.11172	3.9
163.14813	3.9
165.12762	2.1
169.10092	1.8
171.11674	2.3
173.09656	1.1
173.13187	8.4
175.11168	7.9
175.14838	2.8
177.12666	1.4
177.16428	1.2
181.10045	1.0
183.11703	1.0
185.13240	1.6
187.14809	3.4
189.11247	5.0
189.12711	1.6
189.16412	1.4
193.12239	20.6
195.11711	1.1
195.13849	1.3
197.13165	1.3
199.14783	1.3
201.16403	2.0
207.13675	1.2
211.13281	2.5
215.17891	0.9
227.12727	8.8
229.14281	1.2
233.15549	1.0
235.13312	2.0
243.21152	6.1
249.14940	2.2
259.13156	2.4
259.20636	1.9
261.22144	20.6
267.15891	100.0
268.16138	1.3
271.20462	1.2
273.14847	1.6
279.23047	1.5
283.23932	1.1
285.17038	1.6
285.21832	1.1
289.21597	1.5
301.14252	1.6
301.22043	1.4
301.25229	8.1
303.23267	1.5
309.17120	4.5
309.20087	1.2
317.24792	3.2
333.17212	1.4
333.24243	2.1
335.25775	92.4
336.26093	3.4
363.25122	0.9
403.24820	1.1
417.26382	1.5
417.31601	1.9
421.25757	2.5
435.27298	2.2
435.32526	5.9
449.28995	1.7
453.33667	8.8
471.34695	6.5
475.30521	1.1
489.36136	1.4
491.34982	1.2
509.36148	2.7
527.37262	75.6
528.37366	2.7
545.38324	80.1
546.38818	1.8
563.39465	5.0
569.38409	9.9
587.39142	1.1
611.38849	2.6
623.39227	3.0
635.39526	4.7
653.39972	3.6
671.41254	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	920.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.7
67.05503	64.6
69.03428	2.5
69.07063	12.3
71.04990	19.2
73.02906	2.9
79.05490	35.3
79.13135	1.3
80.08224	0.9
81.03409	2.6
81.07051	95.4
83.04979	5.2
83.08600	8.3
85.02901	12.4
85.06547	7.2
91.03962	7.0
91.04907	1.8
91.05479	32.9
91.06027	2.5
93.07040	41.0
95.04977	3.8
95.08603	27.8
97.02885	4.1
97.06521	5.7
97.10154	1.9
105.07029	19.0
106.20967	1.0
107.08587	24.1
109.06506	3.0
109.10145	13.8
111.08066	1.9
114.00687	1.3
117.06992	6.4
119.08587	9.9
121.10142	16.8
123.11702	13.9
125.09635	2.0
127.03865	1.5
131.08578	10.4
133.10132	18.7
135.11676	13.5
140.92093	1.2
145.04970	3.1
145.10107	6.8
147.04494	1.3
147.11673	5.6
149.13264	6.8
151.11194	8.2
153.12689	1.4
157.10013	1.3
159.11687	6.8
161.13277	3.4
163.06042	3.4
173.13237	3.0
177.12785	1.8
183.13889	2.5
185.13249	1.6
187.13293	7.5
187.14780	1.8
189.09775	1.1
191.47646	1.2
195.13843	2.1
205.89232	1.2
227.16409	2.1
257.17413	2.4
261.22260	2.7
269.17450	6.6
299.23621	1.2
301.20050	22.1
302.20737	1.2
317.24591	1.6
335.25742	17.9
335.29446	1.6
337.26141	1.1
389.26804	1.4
411.32388	2.1
437.23557	1.1
437.34055	3.4
445.24194	1.2
485.36160	5.3
503.37299	87.7
504.37759	4.0
511.37799	1.9
517.38641	4.8
529.38873	28.5
561.41479	100.0
562.41992	5.5
920.46802	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	920.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68829	0.7
64.76689	0.7
65.03944	1.9
67.05505	53.3
69.03432	2.1
69.07069	9.8
69.32030	5.4
69.32452	2.5
71.04992	15.4
73.02922	2.0
79.05489	28.9
79.05970	0.8
80.60743	0.7
81.03420	1.4
81.07053	78.2
82.07366	1.2
83.04984	3.9
83.08614	6.4
85.02898	8.8
85.06535	7.3
91.03959	5.2
91.05478	22.1
91.06027	1.5
93.07040	32.1
95.04937	3.6
95.08601	21.4
95.09182	1.5
97.02877	5.1
97.06544	3.7
97.10157	2.1
99.04485	0.7
99.08125	1.3
105.07031	14.1
107.08592	17.3
109.06525	1.9
109.10155	10.7
111.08099	2.5
111.80882	0.8
117.07065	4.3
117.07777	0.8
119.08583	7.2
121.10138	13.4
122.45782	0.7
123.08089	1.1
123.11699	12.0
127.03909	2.2
131.08563	7.1
133.10136	14.8
135.11671	8.5
142.57156	0.7
143.08597	1.1
145.04993	2.5
145.10132	3.6
147.11685	2.8
149.13293	5.4
151.11163	6.2
157.10173	1.2
159.11682	6.7
161.13292	1.8
163.06055	1.7
164.51598	0.7
169.12314	1.2
171.40585	0.7
173.13301	2.2
177.12778	2.6
181.28131	0.8
183.13828	2.2
184.07362	0.8
185.13226	0.8
187.13318	3.0
187.14880	0.9
195.13748	1.5
201.14810	0.8
203.93431	0.7
206.27348	0.8
227.16367	1.3
243.15842	1.1
257.17468	1.4
261.22238	2.0
268.72195	0.9
269.17502	4.4
301.20062	10.0
317.24548	1.1
335.25809	21.8
411.32916	1.3
458.44339	0.9
485.36313	2.1
503.37314	74.8
504.37836	4.8
517.38855	2.8
529.38812	16.2
530.38727	1.5
561.41498	100.0
562.42023	7.7
705.45428	2.1
709.80975	0.9
942.36658	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	920.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.2
67.05133	2.5
67.05499	44.7
69.03430	4.4
69.07064	18.1
70.02806	2.9
70.03197	3.4
71.05000	2.2
73.02921	5.3
79.05487	30.0
81.03416	4.7
81.07049	41.2
83.04971	5.0
83.08622	11.1
83.16141	1.3
83.63422	1.2
85.02901	11.3
85.06525	2.4
91.03954	9.0
91.05472	32.3
93.07036	35.5
94.07378	1.8
95.04977	6.5
95.08602	27.9
97.02885	10.2
97.06542	6.5
97.10157	4.9
98.20843	2.0
99.04483	1.4
99.08086	1.9
105.07027	25.2
107.04932	4.8
107.08587	23.4
109.02836	1.6
109.06529	5.4
109.10144	22.3
111.04443	6.2
111.08083	3.6
113.06033	2.1
115.03929	1.9
115.05434	1.7
117.06978	9.8
119.08567	21.2
121.06487	3.8
121.10137	15.9
123.08067	4.4
123.11687	5.7
125.09650	2.7
127.03931	3.2
128.06184	1.4
129.06998	7.3
131.08566	16.4
133.06496	3.3
133.10114	22.1
135.08086	4.5
135.11664	14.9
137.09583	4.1
137.13358	1.4
141.07027	2.3
142.07828	1.9
143.08568	6.1
145.05002	4.2
145.06458	2.4
145.10120	15.6
147.07993	4.3
147.11679	9.9
149.09607	6.8
149.13289	4.3
151.11156	3.2
153.12697	1.7
154.07793	1.7
155.08569	3.8
157.10124	8.1
157.62453	1.4
159.08012	2.1
159.11693	9.6
161.09622	4.8
161.13222	4.5
162.39703	1.4
163.06027	5.1
163.11172	5.8
169.10141	4.4
171.11694	7.1
173.06184	1.4
173.09644	3.7
173.11836	2.5
173.13275	6.0
175.11182	4.1
175.14854	1.6
177.14845	1.4
179.10602	1.8
181.10100	3.2
183.11726	3.6
185.13275	4.5
187.11217	3.4
187.14915	2.5
191.10782	3.8
195.11649	1.5
195.13518	1.3
197.13275	2.4
199.14862	2.7
201.12807	2.4
201.16452	1.4
203.14354	2.2
209.11708	9.0
209.13431	2.6
213.12708	2.2
223.14957	1.5
225.16318	2.1
227.12852	4.0
227.16431	2.6
227.40428	1.5
229.14384	4.1
235.14952	2.1
241.19569	2.7
255.15826	2.9
259.20544	2.9
261.22125	4.1
271.20612	2.2
273.22150	5.6
277.21490	1.7
283.15350	19.4
283.20520	2.1
285.16794	2.2
289.21762	2.2
297.22101	2.1
299.14792	1.8
299.19952	2.3
301.16290	2.1
301.21661	3.4
312.25989	2.4
315.23102	9.8
317.21048	3.1
317.24692	1.5
333.24286	2.6
335.25766	10.0
336.26328	1.7
373.23584	4.7
389.26663	1.7
391.24341	2.3
415.30017	2.0
433.31049	4.6
451.32086	11.2
469.33130	8.8
487.34113	5.3
489.35297	1.5
507.34085	2.3
515.37445	2.8
517.39069	2.0
525.35687	23.7
533.37769	1.8
543.36749	100.0
544.37006	6.7
561.37793	34.6
562.38379	2.9
669.39722	1.8
687.40906	2.3
705.41284	5.9
849.19971	1.7
921.45233	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	919.576
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33154	1.1
65.03923	5.8
67.05501	86.4
69.03426	62.2
69.07069	15.7
71.01347	2.6
71.04992	15.2
71.56276	1.2
73.02911	5.2
74.50282	1.1
77.03902	1.1
79.05489	56.6
81.03413	100.0
81.07050	86.6
83.04978	8.9
83.08608	9.8
85.02902	28.5
85.03403	1.1
85.06518	3.0
91.03967	5.7
91.05475	36.9
93.07037	65.8
95.04966	9.7
95.08601	74.0
97.02885	40.5
97.06535	5.7
97.10153	5.0
99.04444	32.0
99.08080	3.3
101.02365	3.2
101.06059	1.3
103.03932	5.9
103.05502	1.6
105.04512	1.5
105.07028	28.8
107.04945	2.4
107.08588	40.4
109.02872	32.0
109.06496	3.5
109.10152	37.4
111.04441	6.2
111.08064	3.8
111.11646	1.6
113.02332	2.6
113.09619	1.7
115.03918	1.6
115.05473	1.9
117.07007	14.3
119.08575	22.4
121.06470	2.9
121.10134	40.1
123.04429	2.6
123.08041	3.3
123.11699	20.6
127.03908	78.6
129.05482	4.2
129.06938	3.2
131.08554	23.7
133.06465	2.0
133.10120	17.9
135.08052	1.6
135.11690	27.9
137.09595	4.1
137.13223	8.3
139.11162	1.5
143.08560	4.2
145.04938	6.6
145.06500	1.2
145.10115	18.7
147.11674	18.2
148.66718	1.4
149.09639	2.0
149.13248	19.7
151.03871	2.2
151.11147	2.8
151.14816	3.4
153.12703	1.6
155.08549	2.0
157.10112	4.3
159.11696	18.4
161.09535	1.4
161.13264	12.6
163.14830	10.1
165.12775	2.3
169.10083	2.0
171.11658	3.1
173.04451	58.1
173.09599	1.7
173.13251	19.0
174.55000	1.1
175.14792	3.9
177.12701	2.3
177.16376	3.3
179.14195	1.9
183.06514	1.8
183.11690	2.5
185.09659	1.1
185.13200	3.1
187.14798	8.9
189.05453	1.6
191.14301	2.5
195.11734	1.6
197.13319	1.3
199.11192	1.9
199.14809	1.5
201.07607	2.3
201.16357	3.7
205.15727	2.8
215.17784	1.9
219.17377	2.6
233.22604	2.0
243.21068	19.4
253.07109	2.4
259.20508	5.0
261.22113	62.0
262.22513	2.2
271.08005	3.1
271.20532	2.0
273.21951	1.8
277.21536	2.8
279.23111	5.9
286.06638	1.4
289.21628	2.7
301.21762	2.0
303.23087	2.6
327.23184	1.8
335.25763	51.1
336.26257	2.3
341.24771	3.0
342.65149	1.2
351.23001	1.5
353.26779	5.4
359.25748	2.4
363.25229	27.0
364.25818	1.2
369.23950	6.2
387.25369	5.4
405.26376	5.9
581.39825	1.4
595.47339	1.7
656.93475	1.4
691.78125	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	919.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.3
67.05477	0.2
70.02923	0.1
71.08860	0.3
74.02423	0.2
78.03439	0.1
79.05486	1.2
80.01377	0.1
80.04589	0.1
80.05016	2.3
81.03416	0.2
82.06562	0.5
91.05484	1.0
92.04974	0.5
93.05242	0.1
93.05767	0.8
94.06573	1.1
95.04942	0.3
96.04490	0.9
98.02393	0.3
100.03962	0.2
104.04320	0.2
104.04982	3.2
105.03352	0.1
105.05784	0.3
106.02912	0.1
106.06547	7.2
107.04942	0.2
107.07337	0.9
108.04493	0.2
108.08109	1.5
110.06023	0.5
111.04440	0.2
118.06516	0.5
119.04945	0.6
120.04489	0.6
121.05212	0.1
122.06028	2.3
123.04420	0.3
124.03055	0.2
124.03950	3.0
124.07567	0.3
126.05505	0.2
130.06537	0.2
132.04442	9.4
133.05222	0.2
133.07599	0.2
134.06020	2.5
135.04393	0.4
136.03984	0.1
137.66991	0.1
138.05490	1.7
139.03973	0.1
140.03491	0.2
144.02911	0.2
144.08057	0.2
146.05962	0.5
147.04407	0.5
148.02972	0.1
148.03923	2.9
149.04706	1.3
150.05495	23.4
151.06328	0.6
152.03401	0.1
152.07057	2.4
154.06502	0.3
156.08195	0.2
158.06078	0.3
162.05496	3.0
163.06271	0.4
164.07042	0.8
166.04988	2.3
166.06343	0.2
167.07254	0.2
168.02890	0.4
168.06517	0.4
168.08038	0.2
170.04506	0.5
170.05998	0.3
172.07558	0.2
174.05495	0.2
175.03889	0.8
175.06281	0.2
176.03491	0.6
176.07053	2.6
177.07837	0.4
178.04974	2.5
179.05960	0.3
180.06604	0.9
180.07996	0.2
181.07593	0.2
182.05986	0.3
182.09735	0.2
183.06833	0.1
184.06277	0.5
184.07610	0.4
185.06714	0.1
186.05482	0.6
187.06291	0.2
188.07086	0.4
190.08705	0.2
192.08116	0.2
194.04468	4.1
195.05264	3.6
195.06989	0.3
195.09102	0.2
196.06052	1.4
196.07632	0.2
197.07137	0.3
197.10753	0.4
199.06245	0.6
199.08272	0.1
200.07086	1.5
202.05112	0.2
202.08543	0.6
205.07507	0.2
206.04480	0.3
207.06641	1.5
207.09169	0.5
208.05980	1.3
208.07442	0.2
209.07056	0.7
209.10710	0.2
210.09254	0.1
211.06311	0.1
211.08688	0.3
212.05400	0.1
212.07083	0.8
213.07816	0.4
214.08556	0.7
218.08159	0.4
220.07608	0.4
222.07558	0.1
223.08675	0.3
224.07185	0.2
225.06392	1.0
225.10257	0.4
226.08771	0.7
227.08168	0.5
228.06544	0.4
228.10336	0.6
230.08212	0.2
232.05995	0.6
233.07072	0.4
235.08588	0.8
236.07089	0.2
237.06592	0.2
237.10365	0.4
238.05051	0.2
238.08809	0.6
239.05794	0.2
239.08177	0.4
240.06476	0.3
240.10567	0.2
241.09688	1.2
243.07666	0.5
245.06804	0.2
246.07593	1.3
251.08153	1.8
252.06593	0.2
252.08795	0.3
253.06119	2.6
253.09735	2.2
254.08128	0.3
255.07617	1.1
255.11276	2.4
256.06027	0.4
258.07596	1.0
263.08109	0.2
267.07581	0.1
269.09192	1.8
270.07672	0.2
271.07242	0.4
271.10858	0.2
272.09140	0.2
279.07681	1.3
280.08490	0.3
281.09222	0.6
283.07236	0.2
283.10699	0.3
297.08679	4.3
298.09344	0.2
299.10257	1.9
301.11813	0.8
302.06662	0.5
307.07193	0.2
315.09729	0.4
325.08231	0.6
327.09808	0.4
328.07953	0.2
343.09229	6.1
344.09622	0.3
345.10861	2.3
389.09760	100.0
390.10120	2.9
496.67575	0.1
551.14996	1.8
713.20728	0.9
860.92816	0.1
885.58661	0.1
919.26093	26.8
920.26495	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	910.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	0.9
67.05134	1.0
67.05502	20.9
69.07070	10.5
69.73400	1.8
69.73811	2.4
79.05484	8.1
81.07056	23.4
83.04970	0.9
83.08624	5.8
85.06554	0.9
88.73613	0.6
91.05474	3.6
93.07044	7.6
95.04933	0.8
95.08608	17.4
97.02840	0.8
97.06525	1.5
97.10159	2.8
98.06018	1.1
98.98465	8.1
102.71861	0.6
105.07014	3.0
105.54238	0.6
107.08585	5.2
107.88183	0.6
108.74128	0.6
109.10156	6.9
111.08050	0.6
119.08578	2.5
121.10126	4.0
123.11720	3.1
124.01578	1.7
133.10124	3.0
135.11673	2.4
137.13254	1.9
142.02707	1.4
142.94739	0.8
147.11626	1.8
149.13258	1.2
151.14835	0.8
155.01042	4.8
161.13239	2.1
163.14719	0.9
173.02121	1.0
198.05209	1.1
216.06291	3.6
225.01335	0.7
245.22662	1.8
263.23727	5.5
306.27902	12.2
337.27359	100.0
338.27689	2.1
400.29892	0.8
417.24100	3.6
460.28204	36.6
478.29260	42.8
479.29623	1.3
511.04691	0.7
541.98694	0.7
758.19556	0.7
910.48883	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	914.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	12.9
67.64497	0.9
69.03430	11.5
69.07070	13.0
69.66768	5.6
71.01337	3.9
71.04608	2.3
71.04990	43.9
73.02907	11.3
75.04465	4.4
77.58260	1.1
79.05469	6.8
81.03407	2.0
81.07053	37.8
83.04971	17.0
83.08607	8.1
85.02900	78.5
87.04470	2.1
91.05474	5.5
93.07041	18.1
95.01310	3.8
95.04951	2.0
95.08600	67.7
97.02883	34.0
97.06535	1.2
97.10155	4.7
97.10717	0.9
97.74960	1.0
98.21494	2.0
99.04449	1.8
103.03940	1.6
105.07028	11.1
107.04928	0.9
107.07870	2.1
107.08582	31.7
109.02835	2.0
109.10149	42.1
111.04435	20.7
113.02366	2.8
115.03922	17.5
117.05444	1.6
117.06985	1.9
119.08571	18.5
121.10136	34.9
123.11692	22.3
125.09642	1.7
129.05475	30.8
131.08549	6.4
133.04921	4.3
133.10114	20.0
135.11687	22.9
137.13249	22.2
139.03903	2.1
139.11162	2.2
141.01822	24.1
143.08577	1.3
145.10101	8.4
146.08060	2.4
147.06494	18.3
147.11682	11.1
149.13245	23.6
151.14807	1.7
157.04961	1.7
157.10107	1.2
159.02904	11.6
159.11661	8.8
161.13261	15.8
163.06010	2.7
163.11226	1.5
163.14825	10.0
164.09163	3.3
165.12781	1.3
171.06465	1.7
171.11671	1.2
173.13254	7.9
175.14790	12.5
177.03944	1.3
177.12889	1.3
177.16373	20.9
179.17897	3.3
185.13167	1.3
187.14783	6.6
189.16368	10.5
191.14253	1.3
191.17928	18.6
199.06015	1.3
199.72043	1.2
201.16370	9.1
203.17931	18.0
205.15796	1.1
205.19493	24.7
207.17432	3.7
213.16403	1.5
215.17972	13.2
217.07162	2.4
217.19496	14.8
219.05011	1.5
219.17476	6.9
219.21022	4.3
221.18985	4.2
225.07616	13.7
227.17889	1.6
229.19514	15.9
231.08548	1.8
231.21046	5.0
233.18999	10.7
241.19412	1.8
243.08638	9.7
243.21008	2.1
245.18962	1.2
245.22617	3.1
247.20549	5.7
255.04964	1.8
255.20995	2.9
257.22418	5.4
261.09726	3.9
266.66141	1.1
269.06415	1.4
269.22552	3.3
271.24240	1.5
273.06030	5.2
273.22232	1.3
275.23859	5.1
279.10736	18.2
283.24222	1.9
287.07596	5.9
287.23691	2.5
291.07065	3.4
301.25305	1.3
305.08691	10.5
309.08124	3.7
313.28732	1.8
323.09641	4.6
353.31964	2.1
383.62744	1.1
407.36691	30.5
425.37756	100.0
426.37946	4.6
726.85797	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	918.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.7
67.05502	42.5
69.07049	11.4
69.71370	17.6
70.53122	3.0
79.05486	34.4
81.03422	6.5
81.07048	48.0
83.04942	3.5
83.08634	14.4
85.02902	16.3
91.03922	6.3
91.05473	39.2
93.07037	44.3
95.04951	10.5
95.08600	38.3
97.02885	10.0
99.00791	13.3
105.07037	26.6
107.04906	7.5
107.08590	22.9
109.02879	7.6
109.10124	18.2
115.03906	4.7
117.06981	8.9
119.08571	18.3
121.06497	4.7
121.10138	18.7
123.11656	8.9
127.49394	3.2
131.08546	10.4
133.10136	39.3
135.11633	11.2
135.56505	3.4
143.08511	4.6
145.10106	7.5
147.11626	5.9
149.13312	5.8
151.03764	3.3
151.11151	10.1
154.78833	3.0
159.11679	8.4
161.09639	16.5
161.13199	6.2
163.07253	3.5
163.14835	4.8
173.13216	6.7
179.10672	5.0
189.09087	10.2
225.11142	10.2
243.20964	6.2
261.22098	18.0
283.15335	4.0
299.14868	85.0
311.25607	3.7
335.25757	100.0
382.07944	3.1
391.82422	3.0
467.31674	6.7
485.32822	3.9
513.35486	3.7
531.36353	5.3
541.35510	20.1
559.36285	63.8
614.97504	3.1
685.38812	8.2
703.40900	15.0
928.87408	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	910.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	0.4
67.05499	17.1
69.07065	10.4
69.35236	0.9
69.35667	1.4
71.04996	0.4
71.08609	0.5
79.05490	4.2
81.07048	17.0
82.11977	0.2
83.04964	0.5
83.08160	0.5
83.08615	6.0
85.06520	0.5
91.05474	2.8
93.06496	0.3
93.07035	4.6
95.04969	0.3
95.08598	13.2
97.06506	1.4
97.09568	0.2
97.10168	3.3
97.38482	0.2
98.06045	0.3
98.21567	0.5
99.08068	0.4
105.07031	2.2
105.47688	0.3
107.08586	2.9
108.37212	0.2
109.06539	0.3
109.09488	0.5
109.10159	5.8
111.08057	0.8
111.11724	0.3
119.08581	2.3
121.10139	2.5
123.08082	0.3
123.11703	2.4
124.01624	0.5
125.09639	0.5
133.10115	2.1
135.11674	1.4
137.13223	0.9
139.11180	0.2
147.11699	1.5
149.02303	0.3
149.13229	0.7
151.14769	0.4
153.12775	0.3
161.13223	0.9
163.14799	0.6
166.86430	0.2
175.14810	0.8
177.16362	0.3
179.14375	0.3
198.05165	0.3
210.92403	0.2
216.06342	0.7
237.07666	0.2
245.22668	0.3
263.23657	0.8
306.27878	2.3
316.04587	0.2
337.27338	100.0
338.27652	2.9
383.87646	0.2
460.28265	0.3
478.29330	3.6
819.52155	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	904.525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	20.8
69.03400	2.2
69.07068	5.0
71.04986	2.3
71.51960	1.4
73.02907	1.3
79.05076	1.3
79.05493	15.2
81.03416	28.9
81.07052	21.2
83.04984	7.2
83.08605	12.3
85.02901	12.6
85.06545	1.3
91.03955	3.1
91.05470	14.6
93.07041	17.4
95.04967	11.0
95.08604	15.6
97.02906	4.3
97.06509	2.0
97.10175	2.1
105.07029	12.0
107.04943	2.5
107.08588	8.5
109.06509	2.2
109.10136	4.7
111.08091	4.6
113.05965	1.2
115.44720	0.9
117.07014	1.6
119.08575	9.3
121.10149	8.3
123.08053	1.6
123.11694	2.2
125.09608	1.8
127.03870	1.3
129.06990	3.6
131.08571	6.3
133.10126	6.2
135.11652	4.3
145.04828	1.0
145.10121	3.2
147.08098	0.9
147.11684	7.2
149.09616	2.9
149.13301	2.0
151.11121	0.9
157.10135	4.8
159.11749	1.4
163.06105	1.0
165.12772	2.0
173.13261	1.4
175.11143	5.5
193.12238	21.4
201.16489	0.9
211.13278	33.0
217.09381	1.0
227.12849	1.1
228.13054	0.9
243.21014	1.0
261.22067	4.3
261.39331	0.8
267.15808	5.0
283.15433	1.2
285.16946	32.0
317.24634	1.1
335.25772	31.9
336.26044	2.3
353.05719	0.9
453.33673	1.6
527.37280	8.3
544.37537	0.8
545.38342	100.0
546.38684	4.0
689.41461	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	904.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.4
67.05501	26.3
68.05831	0.6
69.03431	2.7
69.07059	6.3
71.04981	2.3
71.61237	0.4
71.61626	0.7
73.02901	1.5
76.92511	0.4
77.03878	0.6
79.05485	18.7
81.03413	27.1
81.07051	27.9
82.07383	0.5
83.04977	5.6
83.08610	13.2
85.02900	12.9
85.06531	1.2
91.03960	3.0
91.05473	16.8
93.07037	22.5
94.07378	0.7
95.04966	12.2
95.05563	0.7
95.08601	19.1
96.08901	1.0
97.02881	4.0
97.06513	2.4
97.10153	2.8
99.04450	0.5
99.08093	0.8
105.04501	0.6
105.07021	12.3
107.04984	2.3
107.08590	11.3
108.08921	0.7
109.06505	2.1
109.10145	7.8
111.04444	1.2
111.08080	5.4
113.06000	1.4
115.05452	0.6
117.07011	3.0
119.04930	0.5
119.07705	0.6
119.08569	11.3
121.06516	1.4
121.10136	12.2
121.52013	0.4
123.08041	1.1
123.11703	2.5
125.09628	0.8
127.03927	1.1
128.31966	0.4
129.06998	4.1
131.08562	7.4
133.06487	1.3
133.10127	8.2
135.11673	7.1
136.12001	0.8
137.09607	1.1
137.13258	0.6
142.07765	0.7
145.04950	0.7
145.10126	4.0
146.10529	0.5
147.08046	1.4
147.11674	9.3
149.09604	3.2
149.13252	2.4
157.10127	6.2
159.11641	2.3
161.13243	1.4
163.06007	1.2
163.11118	3.3
163.14807	1.2
164.11508	0.7
165.12776	1.2
173.13234	2.2
175.11183	7.2
175.14824	0.9
177.16377	0.6
181.12178	1.0
187.14845	1.0
193.12233	19.8
211.13274	23.9
214.73918	0.4
227.12724	3.1
228.13208	0.9
243.21126	1.5
261.22107	5.6
267.15927	5.4
283.15448	1.8
284.15805	2.0
285.16956	24.0
301.25314	0.6
317.24881	1.2
335.25781	46.4
336.26093	4.1
337.26456	0.9
375.60507	0.4
395.42957	0.4
429.21201	0.6
435.32681	0.7
453.33649	0.7
471.34970	0.6
527.37341	7.2
543.36658	1.8
544.37042	3.2
545.38318	100.0
546.38568	2.5
563.39600	0.5
658.03571	0.5
689.42029	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	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51752	0.5
65.03909	1.2
65.47607	0.5
67.05500	30.6
67.05835	1.4
69.03406	1.3
69.07067	10.0
69.44891	3.8
71.04942	2.2
71.18183	0.5
73.02874	1.3
74.70269	0.4
77.03905	0.5
79.05486	26.6
81.03372	1.8
81.07049	31.3
82.07372	0.6
83.04979	2.4
83.08170	0.8
83.08601	7.6
85.02895	2.5
85.06516	1.2
88.47670	0.5
91.03909	1.7
91.05470	10.9
93.07037	37.5
95.04969	5.2
95.08598	41.2
97.02885	3.5
97.06502	2.5
97.10121	1.6
99.04447	2.5
103.05400	0.5
105.06435	0.6
105.07023	8.2
107.04956	4.7
107.08582	25.1
109.06463	2.2
109.10152	9.9
111.08050	1.1
115.07539	0.6
117.07001	6.9
119.07850	0.8
119.08575	11.4
121.06502	2.8
121.10134	16.3
123.08022	0.9
123.11639	1.8
125.05936	1.8
130.07727	1.1
131.08568	4.0
133.09276	0.5
133.10143	5.3
133.51982	0.5
135.07979	1.6
135.11682	34.7
136.12021	0.8
137.13232	1.2
139.07492	1.0
143.08490	0.6
145.04913	0.7
145.10109	21.1
147.11633	2.3
149.13245	2.5
153.12689	0.7
159.11627	1.9
161.13164	1.7
163.11168	40.8
163.14748	1.7
164.11438	1.0
173.09546	0.7
173.13237	2.7
173.92525	0.5
175.14795	0.6
177.16426	0.7
181.12212	7.8
187.14719	0.7
204.00491	0.5
209.11722	1.1
227.12755	48.6
228.12990	0.9
243.21021	1.9
261.22076	7.6
283.15375	52.2
284.15762	1.4
291.99649	0.5
316.60910	0.6
317.24664	1.9
335.25769	100.0
336.25989	2.9
427.19400	0.7
445.01874	0.5
469.33313	0.6
528.16846	0.6
543.36780	93.5
544.37085	4.3
561.37402	0.6
607.61133	0.6
676.47595	1.3
705.42822	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	902.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	31.2
69.03418	1.5
69.07059	8.5
69.36466	5.9
69.36896	3.9
70.80469	1.2
71.04991	3.4
73.02895	1.7
77.10388	1.1
79.05490	30.3
81.03419	1.9
81.07050	33.3
83.04975	3.2
83.08617	8.9
85.02911	2.6
85.06540	1.2
88.53288	1.1
91.03949	2.3
91.05475	13.3
93.07045	40.1
95.04964	6.1
95.08604	41.2
97.02897	4.1
97.06511	3.2
97.10161	2.0
99.04447	2.7
103.05415	1.4
105.07022	9.8
107.04964	6.8
107.08588	26.5
109.06516	1.3
109.10143	9.5
117.07009	8.5
119.08587	10.1
121.06502	4.9
121.10137	18.5
123.11714	1.7
125.05981	3.0
127.03916	1.2
131.08540	2.3
133.10138	4.9
135.08058	1.9
135.11696	39.0
135.12743	2.5
139.07545	1.6
145.10107	23.9
147.11703	2.7
149.13295	2.2
159.11707	1.4
161.13278	1.8
163.11176	50.1
163.14888	1.5
181.12218	6.5
220.90300	1.0
227.12778	62.2
228.13181	2.1
243.21075	2.9
261.22119	8.2
283.15390	100.0
284.15689	2.6
313.27350	2.5
317.24756	2.2
335.25800	76.5
336.26126	4.1
410.32068	1.3
474.61755	1.3
543.36823	86.4
544.37085	5.7
676.47266	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	902.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16074	0.2
65.03922	0.6
69.03426	6.8
70.06590	0.4
75.63531	0.2
77.03919	0.5
85.02880	0.9
86.09682	0.3
89.03903	1.8
91.05476	12.4
95.04951	0.2
97.02871	1.1
98.20706	0.4
99.04443	0.3
105.03382	0.5
109.02853	0.7
117.02544	0.2
117.03378	6.1
119.04933	23.9
120.05254	0.3
127.03907	3.2
129.03326	0.5
132.02080	0.6
135.04366	0.7
145.02838	17.7
147.04402	23.1
148.04695	0.3
149.02307	0.3
149.05975	2.6
150.05481	0.9
157.03963	2.3
160.01472	0.3
161.05890	0.4
163.03880	0.4
164.04747	0.5
167.06999	0.8
175.03903	49.3
176.04362	0.4
177.05460	38.7
178.05693	0.4
179.07016	1.7
186.05540	0.6
192.04135	0.6
196.06029	0.4
207.06516	100.0
208.06960	1.4
219.06595	0.5
225.07632	1.1
235.05969	0.4
261.07538	0.3
263.09155	0.5
273.07397	0.3
291.08505	1.2
351.10748	8.3
352.11008	0.3
355.13651	0.3
369.11780	42.5
370.12070	1.0
372.10779	4.1
534.16150	0.5
545.16223	0.3
555.82599	0.3
569.39362	0.3
579.19867	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	902.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02359	0.2
65.03940	0.7
67.16019	0.1
69.03426	7.9
70.06587	1.6
72.08177	0.2
76.03146	0.2
77.03917	0.6
81.03413	0.5
84.04499	0.4
84.08125	0.6
85.02905	1.5
86.09698	0.7
89.03906	2.6
91.05476	13.8
95.04954	0.2
97.02875	0.8
98.21474	0.4
99.04450	0.4
103.05469	0.4
105.03359	0.5
107.04986	0.3
109.02853	0.4
117.03375	7.2
119.04937	26.4
120.05272	0.2
127.03913	3.6
127.74953	0.2
129.03380	0.4
129.10229	0.4
131.04919	0.5
132.02051	0.6
132.04428	0.4
133.02878	0.3
133.06480	0.2
134.03610	0.6
135.04422	0.9
136.05162	0.2
136.07552	0.4
137.05974	0.4
143.05220	0.1
145.02840	24.2
146.03281	0.3
147.04402	24.8
148.04799	0.3
149.02318	0.6
149.05984	3.0
150.05473	1.6
157.03972	2.4
158.05994	0.3
159.07898	0.2
161.05972	0.4
162.03127	0.4
163.03925	0.6
164.04649	0.7
166.74416	0.2
167.07016	1.3
175.03900	48.6
176.04317	0.6
177.05460	54.6
178.05785	0.7
179.06990	1.7
186.05461	0.8
189.05374	0.2
191.07011	0.3
192.04163	0.6
193.08521	0.2
196.06094	1.3
204.45003	0.2
207.06514	100.0
208.06856	1.1
219.06535	0.5
225.07526	1.2
229.14053	0.2
231.06454	0.3
233.08011	0.4
235.05981	0.5
243.30901	0.2
245.08223	0.2
252.86838	0.2
261.07553	0.3
263.09100	0.4
267.23401	0.2
276.05045	0.6
291.08640	1.2
303.08765	0.3
312.08420	0.2
315.08551	0.3
321.09671	0.2
333.09750	0.3
339.10620	0.2
351.10727	8.1
352.11005	0.2
358.11493	0.4
369.11777	29.9
370.12161	0.5
372.10745	5.5
373.11127	0.2
438.10098	0.3
530.91315	0.2
534.15997	1.1
545.16498	0.5
554.01416	0.2
726.21313	0.2
746.05353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.3
67.05489	0.2
68.99776	0.1
69.09193	0.1
70.06564	0.3
70.76691	0.2
70.77054	0.3
74.02412	0.2
79.05088	0.1
79.05491	1.4
79.24575	0.1
80.04581	0.2
80.05015	2.6
81.03387	0.2
81.07077	0.1
82.06563	0.6
84.04472	0.2
84.08121	0.2
86.09674	0.2
89.03915	0.2
91.05477	0.7
92.04984	0.6
93.05772	0.7
94.06584	1.0
95.04956	0.4
96.04504	0.7
96.08125	0.2
98.02403	0.3
100.03982	0.3
104.04319	0.2
104.04980	3.3
105.03351	0.1
105.05759	0.2
106.02882	0.2
106.06545	8.3
107.04919	0.2
107.07361	0.7
108.04455	0.2
108.08111	1.3
110.06024	0.6
111.04428	0.2
117.03358	0.5
117.05747	0.2
118.06512	0.3
120.04475	0.6
122.02460	0.2
122.06024	2.5
123.04398	0.3
124.03943	2.6
124.07581	0.1
126.05510	0.3
130.06464	0.2
131.05995	0.1
132.04443	9.8
133.05205	0.4
133.07620	0.2
134.06006	2.5
135.04396	0.4
137.04720	0.2
138.05484	1.8
140.03461	0.1
145.02834	1.0
146.05980	0.5
147.04352	0.3
148.03914	2.8
149.04710	1.3
149.05933	0.3
150.05493	23.3
151.06291	0.7
152.07059	2.7
154.06537	0.3
158.06065	0.3
160.03966	0.2
162.05501	3.2
163.06203	0.5
164.07054	0.7
166.04984	2.0
168.02936	0.3
168.06648	0.3
168.07994	0.2
169.07552	0.2
170.04482	0.4
170.06001	0.3
174.05472	0.2
175.06215	0.2
176.03404	0.6
176.07062	2.5
177.05464	1.9
177.07863	0.2
178.04970	2.3
179.05975	0.3
180.06610	0.9
180.08043	0.2
181.07610	0.2
182.05969	0.3
182.09630	0.1
184.06261	0.4
184.07639	0.4
186.05475	0.3
187.06209	0.3
188.07014	0.4
192.08081	0.3
194.04480	4.4
194.09663	0.2
195.05255	3.3
195.07002	0.2
195.09076	0.2
196.06026	1.1
196.07487	0.2
197.07118	0.4
197.10664	0.6
198.09164	0.2
199.06281	0.4
200.07077	1.3
201.07840	0.1
202.05013	0.2
202.08652	0.5
206.04521	0.2
207.06718	0.1
207.09245	0.4
208.05954	1.3
208.07837	0.2
209.07060	0.8
209.10747	0.2
210.09190	0.3
211.08598	0.3
212.05377	0.2
212.07082	0.9
213.07764	0.4
214.08652	0.6
218.08130	0.3
220.07594	0.2
221.06920	0.3
222.07555	0.2
223.08694	0.4
224.07057	0.4
224.09171	0.1
225.06509	1.4
225.10063	0.6
226.08748	0.7
227.08041	0.6
228.06577	0.4
228.10320	0.7
232.06107	0.8
233.07065	0.5
234.07628	0.3
235.08659	0.5
235.36862	0.1
236.07083	0.4
237.06427	0.2
237.10283	0.4
238.04967	0.2
238.08910	0.6
239.05844	0.2
239.08191	0.4
240.06505	0.3
240.10352	0.3
241.09721	1.4
243.07686	0.3
245.06918	0.2
246.07570	1.4
251.08098	1.6
252.08960	0.2
253.06100	2.7
253.09727	2.0
254.08099	0.2
254.10434	0.2
255.07643	1.3
255.11279	1.9
256.06073	0.4
257.09207	0.2
257.12939	0.2
258.07565	0.6
266.08206	0.2
267.07764	0.3
269.09213	2.0
270.07455	0.2
271.07187	0.4
272.09265	0.3
279.07635	0.9
280.08322	0.3
281.09241	0.7
283.10812	0.4
284.09106	0.3
297.08682	4.3
298.09387	0.3
299.10223	1.9
301.08627	0.2
301.11713	0.9
302.06528	0.5
307.07129	0.3
315.09741	0.5
325.08231	0.6
327.09729	0.4
339.10641	0.1
343.09250	6.4
344.09717	0.2
345.10776	2.7
345.14743	0.2
371.08524	0.2
389.09753	100.0
390.10065	2.3
423.80270	0.1
551.15033	2.1
648.21295	0.1
713.20477	0.8
889.24994	26.7
890.25189	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	889.2503
Annotation	2'-(5''-O-E-Sinapoylapiosyl)betanin
Peak:m/z	Relative Intensity
62.66487	0.1
68.27308	0.2
69.89766	0.7
76.87280	0.2
77.03889	0.1
79.05488	1.3
80.04578	0.2
80.05008	2.3
81.07025	0.2
82.06555	0.5
83.14262	0.1
89.03890	0.2
91.05468	0.5
92.04977	0.6
93.05759	0.6
94.06567	0.9
95.04962	0.3
96.04492	0.8
98.02368	0.4
100.03960	0.2
104.04987	2.4
105.03339	0.2
105.05763	0.2
106.06544	6.2
107.07323	0.6
108.08111	1.0
110.06015	0.6
117.03329	0.3
118.06527	0.5
120.04434	0.5
121.65865	0.1
122.06020	2.0
123.04391	0.4
124.03953	2.3
126.05511	0.2
130.06572	0.1
132.04440	7.8
133.05219	0.2
134.06017	1.6
135.04375	0.4
137.04688	0.1
138.05484	1.3
140.03322	0.3
145.02840	1.0
146.05984	0.5
148.03934	2.2
149.04738	1.0
150.05489	20.5
151.06158	0.5
152.07060	2.3
154.06544	0.3
156.08058	0.2
160.03931	0.2
160.23323	0.2
162.05498	2.4
163.06247	0.3
164.07022	0.6
166.04968	1.8
167.86008	0.1
168.02946	0.3
168.06636	0.4
168.08038	0.4
170.04428	0.6
170.05913	0.4
176.03406	0.8
176.07069	2.4
177.05421	1.3
177.07823	0.2
178.04962	2.2
179.05960	0.2
180.06670	0.7
184.06262	0.4
184.07646	0.4
186.05498	0.4
187.06094	0.1
194.04478	4.3
194.05847	0.2
195.05261	3.3
196.06036	1.3
196.07607	0.4
197.07098	0.3
197.10677	0.3
199.06245	0.4
200.07050	1.7
202.08665	0.4
206.04398	0.2
206.08261	0.1
207.05437	0.3
207.09300	0.4
208.06059	1.5
209.07074	0.5
209.10812	0.1
210.09085	0.2
211.08665	0.2
212.07091	0.5
213.07780	0.3
214.08641	0.7
218.08136	0.2
221.06976	0.4
222.07689	0.2
223.08685	0.3
224.07014	0.3
225.06297	0.8
225.10268	0.5
226.08679	0.6
227.08176	0.5
228.06555	0.2
228.10303	0.3
232.06108	0.6
233.07071	0.2
235.08617	0.7
236.07149	0.3
237.06491	0.2
237.10263	0.3
238.08647	0.5
239.05888	0.2
239.08168	0.5
240.06612	0.2
240.10368	0.2
241.09702	1.2
243.07614	0.2
245.06874	0.3
246.07602	1.5
251.08224	1.3
252.08931	0.2
253.06015	2.3
253.09700	2.1
255.07648	1.1
255.11279	1.6
256.05988	0.3
258.07599	0.7
266.07764	0.2
269.09174	1.9
271.07230	0.4
272.09277	0.2
279.07648	0.9
280.08334	0.2
281.09305	0.7
284.08975	0.2
285.08835	0.2
297.08658	3.5
297.11948	0.3
298.09357	0.3
299.10211	1.3
301.11734	1.0
302.06580	0.4
307.07074	0.2
315.09619	0.2
325.08243	0.5
327.09750	0.4
340.06613	0.2
343.09235	4.8
344.09998	0.2
345.10751	2.1
389.09750	100.0
390.10043	3.1
551.15021	1.9
584.45941	0.2
713.20154	0.9
840.55090	0.2
889.25000	29.4
890.25269	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	888.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06087	24.1
67.05484	3.1
69.07050	3.1
71.08624	10.7
81.07080	4.6
83.08606	3.8
85.10178	7.3
95.08607	7.2
96.91320	0.8
97.10163	1.4
98.98447	4.8
100.54726	0.8
109.10133	2.8
113.63421	0.9
120.63719	0.7
123.11674	1.2
124.01604	1.0
142.02638	1.6
149.53212	0.9
151.61331	0.9
155.01001	4.6
164.98177	0.8
198.05266	1.4
216.06279	3.5
229.49118	1.1
239.23715	1.6
282.27905	11.7
313.27356	100.0
314.27661	3.0
335.25525	0.9
393.23956	8.8
432.51660	0.9
436.28198	26.4
454.29294	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	875.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.3
67.05461	0.3
69.03401	0.3
70.06553	0.5
71.51612	0.6
74.02384	0.3
79.05489	1.3
80.05011	2.7
82.06549	0.5
88.50748	0.3
91.05453	0.6
92.04971	0.5
93.05727	0.9
94.06502	1.1
96.04419	0.9
96.25472	0.3
104.04980	3.4
105.05733	0.4
106.06547	7.2
107.04929	0.3
107.07248	0.9
108.08120	1.5
110.05959	0.5
120.04405	0.8
122.06019	2.1
123.04381	0.7
124.03936	2.6
124.07467	0.3
132.04446	10.1
134.06007	2.0
135.04346	0.8
137.04591	0.5
138.05461	1.7
139.95622	0.3
145.02747	0.3
147.04327	0.5
148.02992	0.2
148.03914	2.8
149.04636	1.0
150.05493	22.8
151.06140	0.5
152.07059	2.0
156.07887	0.3
158.05981	0.4
162.05501	2.9
163.03877	2.2
163.06219	0.6
164.07007	0.8
166.04980	2.3
168.08102	0.3
170.04529	0.5
176.03328	0.8
176.07054	2.7
177.07854	0.5
178.04991	2.1
180.06557	1.0
184.07553	0.6
188.07086	0.4
192.07919	0.3
194.04459	5.6
195.05254	3.8
196.06004	1.8
197.07057	0.3
197.10751	0.3
199.06250	0.3
200.07111	1.5
202.08560	0.6
207.09026	0.5
208.06029	2.0
209.07057	0.6
212.07034	0.8
214.08527	0.8
223.08643	0.3
225.06490	1.0
225.10159	0.7
226.08650	0.5
227.08127	0.4
228.10124	0.5
232.05931	0.5
233.07100	0.4
235.08546	0.8
236.06897	0.3
238.08745	0.5
239.08115	0.6
240.10237	0.3
241.09663	1.5
243.07597	0.4
246.07768	1.3
251.08154	1.8
252.06575	0.3
253.06055	2.8
253.09650	2.1
255.07564	0.8
255.11375	1.9
258.07489	0.6
269.09177	1.7
271.07211	0.7
279.07513	1.2
280.08163	0.4
281.09167	0.8
297.08694	4.1
299.10330	1.7
301.11771	0.8
315.09732	0.3
325.08249	0.6
343.09241	6.0
345.10797	2.6
389.09753	100.0
390.10193	2.7
454.37991	0.3
551.15393	1.6
707.64600	0.4
713.20251	0.4
875.23352	25.0
876.23547	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	875.235
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.4
67.05509	0.2
70.02924	0.1
70.98837	0.4
71.26003	0.1
74.02435	0.3
77.03896	0.2
79.05499	1.8
80.04582	0.2
80.05012	3.0
81.03400	0.2
81.07053	0.2
82.06566	0.7
89.03913	0.2
91.05444	0.5
92.04984	0.5
93.05770	0.6
94.06544	0.9
95.04939	0.2
96.04477	0.6
98.02396	0.3
100.03938	0.3
104.04317	0.2
104.04984	3.2
105.05759	0.6
106.06550	7.9
107.04955	0.3
107.07348	0.8
108.04453	0.3
108.08114	1.6
110.06010	0.5
111.04414	0.2
115.88177	0.1
117.03358	0.3
118.06522	0.4
119.07260	0.1
120.04442	0.6
122.06027	2.5
122.92136	0.1
123.04384	0.3
124.03956	2.7
124.07581	0.2
126.05452	0.4
130.06480	0.2
132.04445	9.6
133.05170	0.3
133.07579	0.2
134.06009	2.4
135.04425	0.7
137.04706	0.2
138.05484	1.7
140.03392	0.2
144.02916	0.1
145.02818	0.3
146.05951	0.7
148.03931	2.9
148.07547	0.2
149.04724	1.2
150.05492	23.1
151.06133	0.6
152.07062	2.4
154.06462	0.3
156.08066	0.2
158.06021	0.3
160.03925	0.2
162.05499	3.1
163.03899	1.6
163.06255	0.6
164.07034	0.8
166.05002	2.4
168.02908	0.2
168.06578	0.5
168.08012	0.3
170.04498	0.6
170.05988	0.4
172.07483	0.2
174.05452	0.1
175.06317	0.2
176.03464	0.7
176.07060	2.6
177.07852	0.3
178.04977	2.3
179.06067	0.2
180.06583	1.0
181.07698	0.3
182.06024	0.2
184.06253	0.5
184.07616	0.4
186.05481	0.4
187.06458	0.2
188.07076	0.3
192.08089	0.2
194.04471	4.7
194.05812	0.2
195.05252	3.8
195.09129	0.2
196.06041	1.3
196.07573	0.3
197.07118	0.5
197.10716	0.3
199.06265	0.4
200.07053	1.6
202.08623	0.6
205.07611	0.3
206.04533	0.2
207.05411	0.3
207.09180	0.3
208.06015	1.6
208.07622	0.2
209.07039	0.7
209.10747	0.2
210.09285	0.4
211.08681	0.4
212.07140	0.9
213.07883	0.3
214.08507	0.7
214.59286	0.2
218.08130	0.3
221.06720	0.2
223.08669	0.5
224.07256	0.3
225.06519	1.2
225.10220	0.5
226.08734	0.7
227.08061	0.7
228.06546	0.6
228.10199	0.8
229.09680	0.2
232.06078	0.6
233.07040	0.3
234.07635	0.2
235.08722	0.8
236.07028	0.4
237.06458	0.2
237.10274	0.2
238.08630	0.6
239.08244	0.5
240.06631	0.3
240.08713	0.3
241.09639	1.3
243.07620	0.4
245.06961	0.3
246.07616	1.2
251.08180	1.6
252.06561	0.3
252.08940	0.3
253.06111	2.3
253.09747	2.3
254.08176	0.2
254.10397	0.2
255.07730	1.0
255.11238	2.1
256.06064	0.5
258.07651	0.9
261.06616	0.2
263.08133	0.2
267.07596	0.2
269.09177	2.1
269.11844	0.2
271.07159	0.6
271.10849	0.3
272.09152	0.5
279.07584	0.9
281.09204	0.8
282.07840	0.2
283.10785	0.2
284.09052	0.2
297.08704	4.9
298.09512	0.3
299.10181	1.5
301.11795	0.8
302.06638	0.6
307.07242	0.3
315.09885	0.3
325.08292	0.6
327.09799	0.5
328.07983	0.2
343.09244	6.6
344.09567	0.2
345.10797	2.3
389.09756	100.0
390.10028	3.7
528.07770	0.2
551.14984	1.6
713.20190	0.8
875.23413	23.5
876.23517	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	873.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.5
65.03937	0.3
67.05486	0.4
68.99775	0.5
69.03421	3.0
69.07040	0.5
69.53287	1.3
69.53702	1.0
70.06580	3.3
71.04993	0.4
72.08131	1.1
73.02902	0.3
77.03913	0.5
79.05475	0.6
81.03422	3.2
81.07023	0.7
84.04469	0.6
84.08115	0.9
85.02455	0.3
85.02904	3.7
86.09678	1.2
87.00829	1.6
89.03899	0.6
91.05473	7.5
93.07039	10.8
95.04958	3.2
95.08589	0.4
97.02869	1.4
99.04430	0.8
103.04814	0.7
103.05456	8.5
105.01847	0.7
105.04535	0.8
105.07009	0.6
107.04948	0.4
109.02853	1.4
110.07145	0.3
117.03344	1.2
117.06989	0.5
119.04890	0.9
119.08561	0.3
120.08079	0.7
121.06497	73.2
122.06847	1.1
123.04432	0.4
123.11671	0.6
125.05994	0.5
127.03925	2.6
129.10228	0.5
130.04111	0.4
135.04358	0.6
136.07603	0.6
137.05949	0.7
141.03334	2.7
145.02863	3.1
145.04922	0.6
145.06458	0.6
145.10039	0.4
147.04434	0.7
147.62547	0.3
149.05945	1.4
158.03680	0.5
159.02893	0.5
163.03847	0.4
163.07541	0.7
164.07082	4.0
167.07005	0.5
173.05952	1.2
177.03914	0.4
177.05461	7.6
184.07382	0.4
186.03040	0.5
191.07005	6.2
191.08597	0.5
192.05698	0.4
194.07141	0.8
198.91342	0.3
201.05371	81.2
202.05803	1.2
205.06468	2.2
207.06360	0.5
207.08180	0.7
211.07436	0.5
219.08040	1.5
220.05168	5.0
221.05905	0.9
222.06708	2.3
231.04750	0.6
233.05952	1.8
234.06683	2.3
235.07526	15.0
236.08125	0.9
237.05336	1.0
237.06516	0.5
237.09048	10.0
239.06958	1.1
244.06021	3.2
247.07622	1.9
248.04666	4.4
249.05432	2.8
250.06245	2.8
251.07007	0.8
252.07706	0.9
263.07022	23.9
264.07755	2.2
265.04980	3.7
265.08566	19.9
266.09164	1.4
267.06458	1.2
276.04205	1.2
279.06638	0.3
279.10062	0.7
280.07285	7.6
281.07745	0.6
282.08844	27.0
283.09091	0.5
287.05508	2.6
291.06485	29.4
292.06848	0.7
293.04379	0.5
295.09714	1.5
297.11191	14.0
299.09158	1.1
308.06702	3.5
309.07199	0.5
312.06281	0.7
313.10648	4.1
321.09601	0.6
323.09109	98.2
324.09442	3.2
327.08609	1.0
339.10605	1.0
340.11511	0.8
364.11783	15.1
369.09735	0.7
386.14218	1.3
460.17535	36.7
461.17804	1.4
488.17017	100.0
489.17273	4.0
609.34479	0.4
650.21979	0.5
708.22711	4.9
736.22363	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	872.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.4
63.02379	0.4
69.03040	0.3
69.03424	4.9
70.96568	0.2
70.96907	0.2
72.69409	0.1
78.04705	0.3
81.03414	0.2
85.02907	0.6
89.03907	3.9
91.05445	0.2
93.51694	0.1
95.50404	0.1
97.02867	0.4
99.04465	0.2
103.05508	0.1
106.04149	0.2
109.02886	0.3
111.45415	0.1
117.03373	12.6
118.03711	0.2
119.04915	0.2
124.05210	0.2
127.03901	2.4
129.04446	0.1
131.04915	0.2
132.04445	0.3
134.03616	0.9
135.04414	0.9
137.05981	0.4
145.02835	45.5
146.03165	1.1
147.04346	0.1
149.05968	4.8
150.05487	0.5
158.05956	0.2
163.03912	0.6
177.05458	100.0
178.05804	2.9
186.05496	1.1
187.07512	0.1
189.05428	0.1
195.06560	0.7
196.06052	0.4
207.06529	0.2
215.07057	0.2
231.06471	0.2
233.08044	0.3
243.06458	0.1
261.07599	0.6
321.09689	4.2
322.09814	0.3
339.10730	26.7
340.11066	1.3
372.10788	1.8
534.15979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20911	0.2
62.00304	0.2
62.63529	0.2
65.03943	1.1
67.05502	29.6
69.03462	0.2
69.07065	16.1
71.04986	0.8
71.08623	1.1
71.25347	0.2
71.25668	0.3
75.04465	0.5
79.05485	8.0
81.03409	0.3
81.07050	30.6
81.74497	0.2
82.07384	0.4
83.04969	1.0
83.08618	8.6
85.06528	1.0
85.10166	0.5
91.05477	5.4
91.06029	0.4
93.07040	7.8
95.04451	0.2
95.04980	0.9
95.08602	25.5
97.06523	2.3
97.10164	4.4
98.98460	22.2
99.08092	1.0
105.07017	4.0
107.08585	5.0
109.06541	0.4
109.10150	9.8
111.08080	1.2
111.11717	0.7
113.09638	0.4
116.99498	0.7
119.08572	3.2
121.10136	4.6
123.08058	0.5
123.11702	3.8
125.09647	0.4
127.11169	0.3
133.10118	3.8
133.11096	0.3
135.11685	2.5
137.09584	0.7
137.13239	1.7
139.11238	0.3
140.01054	0.5
147.11674	3.2
149.13240	1.9
151.11154	0.5
151.14801	1.3
153.12775	0.5
155.01028	12.0
159.90305	0.2
161.13249	1.9
163.14810	1.3
165.12799	0.3
165.16408	0.8
167.14420	0.2
173.02100	3.6
175.14812	1.5
177.16408	0.3
179.14345	0.2
179.17941	0.3
180.89995	0.2
181.15990	0.2
187.35571	0.2
189.16418	0.5
193.15939	0.3
203.17903	0.3
224.24370	0.2
245.22659	4.3
263.23679	11.5
337.27341	100.0
338.27725	3.3
349.50131	0.2
417.23892	0.6
456.65717	0.2
599.49976	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	872.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	0.5
65.03932	0.9
69.03427	6.5
70.38509	0.4
70.38904	0.3
71.05018	0.1
73.02927	0.1
76.03137	0.2
77.03918	0.3
79.05486	0.2
81.03410	0.6
85.02894	1.1
89.03925	0.4
91.05477	14.5
92.05804	0.2
95.05003	0.2
97.02883	0.9
103.05447	0.5
105.03400	0.4
107.04896	0.1
109.02856	0.4
117.03361	0.6
118.04155	0.2
119.04936	31.0
120.05266	0.5
127.03906	2.9
129.03386	0.4
131.04871	0.1
132.02077	0.7
132.04420	0.3
133.02852	0.4
135.04398	0.2
136.05170	0.4
145.02855	2.0
145.06439	0.1
147.04402	68.0
148.04749	1.4
149.02335	0.3
149.06001	0.3
150.03084	0.1
150.05504	1.2
157.02835	0.2
157.03972	2.0
161.05914	0.2
162.03069	0.1
164.04681	0.6
167.07060	0.8
174.03069	0.2
175.03899	45.3
176.04294	1.0
177.05453	4.7
178.04897	0.2
179.07018	1.7
191.07101	0.2
192.04155	0.8
193.04958	0.2
196.06044	1.0
201.05421	0.2
203.07062	0.2
207.06517	100.0
208.06828	1.8
219.06511	0.3
221.07793	0.2
225.07515	1.0
231.06537	0.2
235.05951	0.3
245.07954	0.2
261.07462	0.3
263.09161	0.5
273.07620	0.1
291.08673	0.9
309.09958	0.1
321.09613	0.4
333.09613	0.2
339.10608	1.0
342.09705	5.3
343.09796	0.2
351.10748	7.3
352.11142	0.3
369.11786	44.2
370.12067	1.7
371.55673	0.1
504.15115	0.2
515.15155	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	860.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	14.2
65.03937	1.5
66.09180	1.1
67.05504	34.4
69.03429	8.0
69.07063	8.0
71.04994	1.8
72.69109	1.2
73.02915	9.9
74.09702	1.2
79.05492	22.1
81.03421	3.7
81.07051	34.1
83.08610	4.0
85.02901	14.2
85.06572	1.6
86.09692	1.6
91.03938	8.3
91.05465	15.5
93.07051	21.4
95.04977	2.7
95.08604	26.9
97.02882	11.3
97.06521	1.5
97.10181	3.4
101.02380	1.5
105.04528	1.3
105.07040	7.5
107.04943	1.9
107.08571	9.0
109.10148	10.8
113.12080	1.1
113.69461	1.3
115.05486	1.3
117.07022	2.5
119.04977	2.1
119.08569	5.6
121.10133	8.5
123.04422	1.8
123.11740	3.0
127.03880	2.6
129.06984	2.0
131.04933	4.2
131.08566	4.5
133.10161	3.9
135.11655	5.4
137.05969	9.9
143.05013	1.7
145.06485	2.7
145.10165	1.7
146.05939	1.5
147.11703	1.6
148.05232	1.5
149.04871	1.2
149.06020	4.7
149.13315	2.1
152.07100	5.3
157.06557	1.6
159.11729	1.3
160.05223	1.5
161.06015	6.4
161.13239	1.8
162.05476	5.5
163.06282	3.2
163.07567	1.9
163.75757	1.3
164.07085	29.3
171.08150	1.3
173.05951	6.9
173.13306	1.6
175.06271	2.2
175.07614	4.7
176.07085	5.8
177.07843	44.2
177.09325	2.2
178.08635	4.3
184.07378	4.2
187.07607	4.4
188.69217	1.2
190.08621	11.8
191.09380	5.9
199.07603	3.7
199.16985	1.3
201.09160	1.8
202.08647	2.9
204.10187	3.3
210.22241	1.1
216.10291	1.5
274.17999	41.9
274.20877	2.4
284.16644	1.2
300.16101	2.5
302.17490	63.9
303.17905	2.1
309.40137	1.1
320.18564	38.4
328.19101	3.3
335.25833	19.1
345.19128	1.4
346.20135	6.0
358.20215	1.8
376.21222	14.6
394.22223	30.2
395.22516	1.7
402.22729	1.8
420.24005	3.0
464.22894	1.6
481.82901	1.3
512.75079	1.4
538.27148	1.6
651.77527	1.2
654.43634	79.1
655.43762	2.9
680.45319	10.8
698.46204	44.3
816.48785	62.0
817.49194	2.9
842.50250	10.7
860.51385	100.0
861.53674	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	858.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.1
65.03915	2.1
67.05500	31.2
68.23357	1.1
68.99776	4.8
69.03426	40.4
69.07063	36.5
70.06573	3.2
70.07392	1.5
71.01337	1.1
71.04982	7.5
71.08610	4.3
71.49332	1.9
72.08150	1.3
73.02921	5.8
79.05069	1.8
79.05487	19.8
81.03413	36.0
81.07051	87.0
83.01330	1.6
83.04963	4.4
83.08614	22.2
84.04490	1.6
84.08121	1.6
85.02899	100.0
85.06538	1.6
85.10184	2.2
86.09704	2.5
86.14898	0.9
87.00824	42.9
87.01363	2.1
87.04440	1.3
91.03937	1.4
91.05469	18.4
93.07040	49.3
94.07358	2.5
95.04977	9.8
95.08600	87.9
96.08920	1.8
97.02885	40.9
97.06532	4.4
97.10162	12.8
98.03208	1.0
99.04454	13.8
99.08040	2.3
100.69158	0.9
103.03926	2.1
105.01859	55.1
105.07027	24.9
107.04908	3.0
107.08588	41.7
108.08897	1.2
109.02134	2.2
109.02869	38.4
109.06493	3.8
109.10152	54.7
110.10557	1.4
111.04424	3.8
111.08070	3.6
111.11701	11.3
115.03926	1.9
117.01871	2.5
117.07005	3.2
119.08564	20.7
121.06502	3.2
121.10135	34.3
122.09718	1.2
123.04415	3.9
123.08044	2.8
123.11697	35.1
125.09599	1.8
125.13252	4.3
127.03908	74.8
127.11150	1.1
129.01823	4.8
129.07033	1.1
131.08618	4.9
133.06520	1.7
133.10127	16.5
135.08018	2.3
135.11679	30.6
137.05954	2.3
137.09587	4.5
137.13240	17.8
139.11174	3.6
141.05521	1.1
143.08554	2.2
145.02994	1.2
145.04950	24.4
145.06163	1.5
145.10097	7.6
147.02872	2.7
147.04443	1.1
147.08052	2.1
147.11676	16.1
149.09576	1.9
149.13248	30.4
151.11154	3.5
151.14798	5.9
153.12717	4.5
153.60692	1.0
155.10655	2.2
157.10126	3.0
159.02902	13.3
159.07932	1.4
159.11708	5.1
161.13248	11.8
163.11226	1.7
163.13454	1.2
163.14813	20.0
165.09148	1.4
165.12799	6.0
165.16393	3.0
167.14352	1.5
169.04996	1.1
169.09947	1.2
171.02869	2.1
171.11638	1.8
173.04439	3.4
173.13219	3.8
175.11113	1.8
175.14771	7.1
177.04021	1.1
177.05461	2.8
177.09119	1.4
177.12770	1.8
177.16377	10.3
179.17931	3.3
183.13779	4.2
183.54028	1.0
185.13249	2.3
187.05977	1.5
187.14760	1.5
189.03946	3.0
189.16368	5.7
191.17932	8.0
193.19579	1.8
199.14769	1.3
201.16318	2.1
203.17921	5.6
213.03946	6.8
215.17993	1.4
217.19487	11.1
219.20918	1.8
227.17879	1.2
231.04990	26.8
231.20961	1.7
233.22862	1.5
245.22702	1.5
247.24255	4.1
249.06023	15.6
261.25659	1.7
271.24225	2.4
273.05981	2.8
273.25757	43.4
274.26157	1.7
289.25266	3.5
291.26788	41.1
301.25116	1.1
303.26837	1.5
307.26270	2.1
309.24634	1.9
309.27841	15.4
315.26639	1.7
327.29120	2.6
331.26318	2.5
333.27856	1.8
375.29025	1.8
381.27631	5.2
387.29022	2.3
399.28912	17.0
400.29053	1.1
417.29987	5.1
435.30609	1.5
461.09344	1.6
463.27014	1.2
473.28879	1.3
479.10242	1.5
485.29245	4.8
491.29965	3.1
503.29974	12.6
509.31134	2.4
521.31024	10.0
539.31866	4.3
768.40552	1.4
814.72614	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	858.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	0.5
63.02381	0.5
66.21222	0.1
67.89362	0.1
69.03428	6.0
69.70022	0.7
70.06577	0.5
72.08153	0.2
77.03919	0.1
79.05486	0.5
81.03421	0.3
83.68777	0.1
84.04494	0.1
84.08123	0.2
85.02907	0.8
86.09704	0.2
89.03912	4.7
91.05440	0.2
95.04944	0.2
97.02891	0.9
99.04447	0.2
99.29974	0.1
103.05413	0.1
107.04963	1.0
108.70222	0.1
109.02869	0.4
117.03379	8.5
118.03719	0.1
119.04913	0.3
123.04420	0.3
127.03909	2.7
132.04466	0.1
134.03590	0.4
135.04411	11.4
136.04727	0.1
136.07507	0.1
137.05966	0.2
145.02840	23.7
146.03178	0.3
147.04391	1.0
149.05962	1.5
150.05482	0.9
151.03886	0.8
161.05948	0.1
163.03897	100.0
164.04242	1.5
177.05466	31.6
178.05869	0.8
181.04961	0.7
186.05515	0.6
196.06042	0.8
201.05565	0.2
229.05054	0.1
247.06128	0.2
307.08115	4.4
321.09644	0.4
325.09171	24.2
326.09329	0.6
339.10797	2.2
358.08817	0.3
372.10767	1.9
456.11923	0.3
457.11972	0.1
501.13742	0.3
534.15625	0.2
833.61292	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.3
63.02369	0.3
68.37904	0.1
69.03427	1.6
70.06573	0.4
70.63200	0.2
70.63599	0.2
73.02921	0.2
73.97083	0.1
78.04694	0.2
79.05465	0.1
81.03416	0.5
85.02898	3.3
87.04446	0.2
89.03906	4.0
91.05450	0.3
94.66857	0.1
97.02880	1.1
99.99084	0.1
103.05444	0.1
106.04135	0.1
107.04931	0.2
109.02864	0.4
117.03369	13.2
118.03683	0.2
119.04881	0.2
127.03900	0.7
132.04424	0.6
134.03589	0.8
135.04405	1.4
145.02831	42.4
146.03165	0.5
147.04402	0.7
148.03853	0.1
149.04787	0.2
149.05963	4.1
150.05469	2.1
158.05930	0.1
162.03154	0.1
162.05551	0.2
163.03893	3.9
163.06009	0.2
177.05450	100.0
178.05954	1.3
186.05472	1.0
196.04311	0.2
196.06021	2.3
197.81192	0.1
202.05002	0.5
238.07095	0.2
248.05638	0.1
321.09668	0.3
325.08997	0.6
339.10809	1.2
358.11288	0.4
372.10742	16.0
373.11057	0.3
442.10507	0.1
520.16492	0.2
534.16010	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	858.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73374	0.1
61.02908	0.7
63.02369	0.4
69.01724	0.1
69.03423	6.7
70.06595	0.8
70.64551	0.3
70.64893	0.2
72.08134	0.5
75.09653	0.1
79.05466	0.3
81.03386	0.3
84.08141	0.2
85.02893	1.3
86.09669	0.5
89.03349	0.3
89.03904	5.2
91.05453	0.5
97.02882	1.0
99.04414	0.2
101.17223	0.1
103.05457	0.3
106.04085	0.1
107.04932	0.7
107.85721	0.1
109.02853	0.5
117.03367	13.9
118.03603	0.2
119.04921	0.3
127.03900	3.3
127.42262	0.1
129.10236	0.3
131.04808	0.2
132.04420	0.6
134.03613	0.9
135.04396	6.9
136.07559	0.2
137.05997	0.7
145.02829	49.4
146.03192	0.5
147.04367	1.6
149.05960	4.5
150.05467	2.3
151.03857	0.8
158.06038	0.2
162.03113	0.4
163.03883	45.6
164.04225	0.8
177.05450	100.0
178.05911	1.4
181.04832	0.2
186.05475	1.5
189.05435	0.1
193.04973	0.2
195.04950	0.2
195.06625	1.1
196.06032	2.4
205.05107	0.2
223.07684	0.1
231.06535	0.2
247.06093	0.2
261.07602	0.5
291.08405	0.2
303.08386	0.3
307.08124	0.8
321.09647	5.2
325.05219	0.2
325.09137	4.9
339.10718	30.7
340.10968	0.6
358.09070	2.7
369.67697	0.1
372.10675	0.6
501.13513	0.2
888.95490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85208	1.2
61.02925	63.4
63.17851	1.1
67.05504	52.1
67.09134	1.3
68.38699	1.1
69.03425	8.7
69.07074	8.5
70.06570	1.3
71.04997	3.0
71.57980	2.4
73.02915	22.5
79.05489	27.7
79.25027	1.1
81.03414	4.0
81.07054	63.9
83.04970	1.6
83.08612	6.6
85.02901	94.2
91.03954	75.0
91.04544	2.9
91.05471	12.6
93.07040	35.1
93.41800	1.0
95.04984	4.0
95.08604	45.5
97.02888	38.1
97.06511	2.2
97.10163	2.7
99.04447	3.6
99.08083	1.4
103.03929	2.5
104.98590	1.3
105.07037	15.7
107.08590	26.8
107.09317	2.2
108.80274	1.2
109.02894	3.1
109.06520	2.0
109.10155	28.4
111.08096	2.1
111.11709	1.4
115.03955	4.6
117.05520	1.5
117.07012	5.8
119.08596	10.4
121.10139	23.2
123.08054	2.2
123.11697	15.7
123.63995	1.3
127.03918	32.6
131.08572	14.4
133.10138	11.0
135.11668	21.4
137.05948	1.5
137.13274	6.9
139.11211	1.4
145.04953	44.5
145.10120	12.3
147.11696	11.2
149.13266	18.0
151.11209	1.8
151.14841	2.0
153.12695	1.7
159.11655	9.6
161.13245	9.4
163.06015	92.6
163.14815	14.4
165.12703	2.7
173.13287	13.4
175.14839	3.8
177.16347	6.2
179.14334	3.3
187.14828	7.8
191.14333	2.1
201.16394	1.3
204.08501	1.3
205.15916	2.2
215.18016	1.7
233.22679	3.2
243.21080	32.6
261.22128	100.0
262.22559	2.4
263.23874	1.7
271.07645	1.3
279.23187	5.3
293.51163	1.5
317.24698	1.7
325.11371	4.5
335.25830	35.3
353.26849	74.3
354.27386	1.4
497.31097	4.8
545.83905	1.4
826.62292	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	856.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71754	0.7
61.02910	2.4
62.74043	0.8
65.03929	2.7
66.63251	0.7
67.05505	27.6
68.99796	1.5
69.03429	18.7
69.07068	39.9
70.06593	6.2
71.04993	11.4
71.08643	3.8
71.45036	1.3
72.08164	0.9
73.02934	1.5
77.03954	0.9
79.05490	18.1
81.03421	11.6
81.07056	100.0
82.07374	1.0
83.04983	2.1
83.08617	14.7
84.04498	0.9
84.08118	0.8
85.02905	35.8
85.06530	3.7
86.06125	0.9
86.09716	1.9
87.00826	13.8
87.04470	0.8
91.03964	0.8
91.05478	14.9
93.07042	55.2
95.04971	15.7
95.08605	61.5
97.02898	14.5
97.06535	9.4
97.10165	5.2
97.52373	0.9
99.04462	8.6
99.08089	1.2
99.26842	0.8
103.37693	0.7
105.01866	25.7
105.07030	27.3
107.04933	1.6
107.08593	53.4
109.02876	14.6
109.06520	7.5
109.10155	49.4
111.04433	1.3
111.08102	5.4
111.11737	3.8
113.05999	1.3
115.03967	1.3
117.07003	3.8
119.08587	19.9
120.08122	1.1
121.06525	2.3
121.10141	36.6
123.04446	1.8
123.08070	5.2
123.11711	45.0
125.06004	1.5
125.09643	4.6
125.13290	2.0
127.03918	28.9
127.07489	0.8
129.01848	1.3
129.06981	1.4
130.07776	1.6
131.08571	7.0
133.06511	1.1
133.10124	16.3
133.11093	0.9
135.08122	1.7
135.11693	36.4
137.05977	2.0
137.09608	3.0
137.13234	12.2
139.11174	1.9
143.08603	1.4
144.09358	1.2
145.04951	7.0
145.10127	14.7
147.04434	0.9
147.08018	0.9
147.11684	17.0
149.09641	2.3
149.13248	15.9
149.14369	1.1
151.11177	13.0
151.14799	1.8
153.12741	14.0
155.08408	0.9
157.10164	1.9
159.02921	2.7
159.11693	20.4
161.09665	1.3
161.13266	15.0
163.11176	11.2
163.14801	9.5
164.07028	0.8
165.12770	7.5
165.16379	0.8
167.14354	2.0
169.05042	1.2
169.12274	2.2
171.02916	1.1
172.12585	0.8
173.09610	0.8
173.13240	8.2
175.11211	1.4
175.14838	10.1
177.05400	0.9
177.12798	5.5
177.14182	0.9
177.16296	4.8
179.14339	3.7
181.04950	1.0
181.12219	13.8
185.09528	2.2
185.13423	1.1
185.15381	0.7
187.14783	5.5
189.03978	3.4
189.12766	0.8
189.16374	5.7
191.17957	4.0
193.12321	1.2
193.15915	3.4
201.12675	1.2
201.16364	6.4
203.17958	3.1
205.15942	2.1
205.19460	1.0
207.17450	6.4
213.03922	6.1
213.12756	1.4
215.17963	8.9
217.19589	3.0
219.17488	2.4
219.21130	2.2
221.19038	1.3
223.16850	0.7
229.19600	3.2
231.04967	10.9
231.21109	3.5
233.19051	2.4
235.20689	2.2
237.18562	2.8
243.21103	1.2
245.06265	0.8
245.22742	3.2
247.20601	1.0
248.21217	0.8
249.06023	10.3
261.25861	2.5
271.24200	28.3
273.06055	5.7
277.24899	1.5
279.26877	1.1
284.12582	1.2
289.25259	75.3
290.25632	1.5
307.26324	42.6
315.07114	1.0
339.07217	1.7
353.16125	1.2
357.08374	1.4
379.26672	1.3
392.11032	0.8
397.27438	2.5
415.21976	1.1
442.23599	0.8
443.08130	1.2
461.09091	5.0
479.10455	3.4
501.28589	2.9
519.29474	8.1
527.29724	0.9
535.35907	0.8
537.30640	10.4
555.31958	0.9
806.42590	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	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	3.6
61.02925	11.4
65.03919	2.3
67.05504	89.8
69.03408	3.0
69.07063	6.9
69.40404	4.0
69.40830	2.9
71.04980	3.3
73.02929	3.5
79.05490	17.6
81.03425	1.1
81.07052	33.7
83.08620	7.0
85.02905	13.2
85.06525	2.8
87.04455	0.9
91.03961	7.9
91.05479	12.4
93.06488	1.5
93.07041	22.2
95.04942	2.0
95.08608	24.5
97.02892	7.4
97.06516	1.1
97.10164	1.8
97.73826	0.7
98.21513	1.5
99.04433	0.8
105.07021	6.7
107.08595	13.7
109.02865	1.2
109.06510	1.3
109.10152	77.2
111.08069	3.1
113.84058	0.6
114.61735	0.7
117.07008	2.2
118.62804	0.7
119.08573	10.8
121.10123	9.8
123.08099	1.0
123.11687	3.6
125.09639	1.5
127.03938	3.6
131.08537	4.6
133.10130	5.6
135.11687	7.1
137.09625	3.5
137.13235	1.7
139.63109	0.7
145.04971	4.9
145.10144	4.2
147.11629	3.8
149.13251	4.9
155.10709	4.3
159.11635	3.6
161.13316	3.8
163.05989	3.4
163.14807	2.5
173.11748	19.7
173.13248	2.7
175.14787	0.8
177.16331	1.0
179.59610	0.7
184.07353	2.1
185.13200	0.9
187.14824	1.3
189.11235	1.6
199.14777	0.8
227.12727	6.6
229.14340	100.0
230.14751	1.1
243.21059	4.7
261.22095	17.6
317.24744	4.1
335.25800	65.9
336.26089	2.5
379.29919	1.2
397.30975	1.8
415.32166	2.0
471.34772	1.6
489.35770	46.9
490.36035	2.0
507.36600	6.4
675.00281	0.8
724.28033	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	850.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04528	0.3
63.24150	0.3
65.03619	0.4
65.03931	5.9
68.05000	0.9
69.03396	0.5
69.07063	0.4
69.43302	1.5
69.43733	1.7
70.06586	26.3
71.08237	0.4
71.08624	4.2
72.08138	0.8
74.06054	0.8
75.04098	0.3
79.01817	0.4
84.08102	0.4
85.10174	1.6
86.09666	0.5
87.99697	0.3
88.07623	29.9
91.05448	0.4
93.03384	0.3
95.04939	0.7
97.02866	0.4
102.09171	21.7
105.03369	0.7
111.04453	0.4
121.02847	2.6
131.04930	0.9
132.02016	0.5
132.10179	0.4
136.01526	0.6
139.03873	2.8
146.11758	0.6
147.04408	1.8
148.05260	0.4
149.02336	100.0
149.03413	6.7
150.02655	1.7
175.03897	2.8
177.02324	0.3
177.05429	1.5
191.06985	1.5
193.04950	50.9
194.05223	0.6
212.23744	1.2
219.06488	2.3
235.02644	0.4
235.39612	0.3
237.07547	12.0
238.08076	0.3
238.25256	0.4
256.26334	74.2
257.26752	1.2
269.04449	0.9
279.46823	0.4
297.04004	1.0
300.28885	1.9
313.07120	1.3
341.06561	3.9
343.08170	1.1
359.07578	1.6
385.09155	7.5
407.57755	0.4
411.10736	0.9
429.11746	2.1
533.10706	1.7
577.13379	8.4
614.50867	0.4
621.15948	15.4
622.16663	0.9
640.34802	1.0
788.36554	0.5
832.38745	1.9
850.39972	92.5
851.39966	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	848.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	3.2
61.02922	12.3
65.03939	3.1
67.05500	100.0
68.05843	1.4
69.03425	2.6
69.07063	8.2
69.72585	3.2
69.73000	1.4
71.04990	3.8
71.08630	0.8
73.02919	3.3
79.05486	23.8
81.03418	1.7
81.07050	39.5
83.08612	7.6
85.02901	14.4
85.06554	3.2
90.94756	0.7
91.03949	8.1
91.05475	13.6
91.06024	1.0
93.07037	28.2
95.04958	2.1
95.08602	30.3
97.02889	7.5
97.06551	1.8
97.10184	1.7
98.21497	1.1
99.04442	0.8
105.07023	8.4
107.08586	17.0
107.09315	1.1
109.10149	78.6
110.10452	1.4
111.08083	3.4
117.07012	4.0
119.08578	12.8
121.10138	12.5
123.11683	4.8
125.09640	1.8
127.03905	3.3
127.11201	0.9
131.08545	5.7
133.10143	5.9
135.11682	8.0
137.09610	3.4
137.13269	1.5
145.04967	3.5
145.10120	5.1
145.96747	0.7
147.11694	4.3
149.13261	5.5
155.10652	3.5
159.11678	3.3
161.13217	3.7
163.06015	4.6
163.14841	2.5
173.11771	21.4
173.13289	4.4
175.14888	1.5
184.07367	1.0
187.14799	1.6
189.11224	1.3
227.12740	6.1
229.14330	86.8
230.14795	3.1
243.21085	7.4
261.22104	18.9
262.22662	1.2
317.24664	1.8
326.28311	0.7
335.25781	73.7
336.26227	2.5
379.29886	1.1
397.31155	2.3
415.32144	1.6
471.34619	2.6
489.35739	68.4
490.35858	4.5
507.36890	6.4
662.01489	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	847.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.7
67.05502	56.7
68.82894	1.0
69.07063	11.5
71.04977	1.7
71.61116	1.2
79.05020	1.7
79.05487	40.7
81.07050	58.8
83.04981	1.5
83.08602	8.6
85.06538	2.1
86.09686	1.1
91.05477	20.9
93.07036	48.8
95.04977	6.2
95.08601	48.1
97.06530	2.7
97.10144	2.2
98.98461	66.1
99.08080	2.9
105.07024	16.6
107.08591	28.0
109.06522	2.1
109.10155	21.2
111.08070	1.7
116.99509	2.0
117.07037	4.2
119.08585	12.7
121.06548	1.5
121.10135	22.6
123.08115	2.0
123.11655	7.6
131.08549	12.0
133.10106	10.4
135.11687	18.9
137.09593	2.0
137.13260	4.8
145.10127	10.4
147.11674	9.6
149.13269	13.1
153.12761	1.1
155.01035	40.2
157.96539	1.1
159.11699	9.3
161.13239	6.2
163.14822	9.0
165.12782	1.2
166.60619	1.2
173.02109	8.0
173.13240	8.9
175.14806	4.0
177.16420	3.2
179.14334	1.2
184.07396	3.3
187.14809	4.2
191.14311	1.8
192.76759	1.1
201.16394	1.5
219.17493	1.8
233.22653	2.7
243.21071	17.7
244.21375	1.4
261.22137	57.6
262.22412	2.4
280.03745	1.2
317.24756	2.7
330.60464	1.2
335.25787	100.0
336.26086	5.8
384.76645	1.3
415.22208	2.1
423.53732	1.1
453.25198	1.2
455.73132	1.1
579.66711	1.2
729.20642	1.2
864.78766	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	842.504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02883	1.2
67.05450	1.6
69.03386	0.9
73.02856	2.1
76.33859	0.5
79.05447	1.0
80.05022	3.4
81.07005	1.9
85.02835	1.1
86.93464	0.6
91.05482	5.6
92.69560	0.5
93.07001	1.2
95.08574	0.7
97.02861	1.4
98.20744	1.6
98.86863	0.6
103.93843	0.5
107.08510	0.6
109.10134	0.6
119.04926	3.6
119.08526	0.8
123.04421	0.7
133.66466	0.5
135.11569	0.5
135.35126	0.5
135.76007	0.5
137.05969	13.2
138.94701	0.6
143.04865	0.8
153.83646	0.6
157.06445	0.6
160.05128	1.4
160.91974	0.7
184.07382	2.3
189.07745	0.8
192.13716	1.7
201.07832	7.3
202.08609	6.6
204.10233	1.5
210.14821	1.2
214.08549	2.2
216.10179	10.1
217.10826	2.2
228.10197	0.9
230.11746	5.0
245.85875	0.6
298.17902	1.4
326.17587	2.0
328.19144	4.0
344.18530	4.6
346.20114	100.0
347.20413	3.6
386.23276	1.2
402.22650	4.6
472.24597	0.6
564.27789	3.3
675.56903	0.7
680.45166	7.5
777.35577	0.7
842.50415	90.0
843.50995	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	842.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02891	1.2
67.05438	1.5
69.03372	1.4
69.07020	0.5
69.40311	3.7
73.02869	0.9
79.05463	1.1
80.05017	4.0
81.03371	0.8
81.06989	1.6
82.06528	0.5
82.95670	0.4
85.02847	1.7
86.05003	0.5
91.03895	0.9
91.05484	6.4
93.06992	1.3
94.06509	0.8
95.08569	0.7
95.37482	0.5
97.02824	1.0
97.10093	0.5
98.20771	0.7
100.44863	0.5
107.08563	0.6
109.06458	0.5
109.10071	0.7
119.04942	2.9
119.08534	0.8
121.10133	0.7
127.33406	0.5
137.05969	14.4
158.83665	0.5
160.05118	1.4
161.05940	0.9
164.06798	0.5
171.20436	0.5
173.05957	1.0
184.07399	1.0
189.07793	0.9
192.13760	1.0
201.07820	7.8
202.08630	5.9
204.10152	0.9
210.14838	1.2
214.08549	1.9
215.09138	0.7
216.10185	9.7
217.10936	3.2
218.11678	0.9
228.10115	1.1
230.11777	4.8
291.11737	0.5
295.40405	0.5
298.17960	1.2
300.19348	0.5
316.18933	0.6
321.45721	0.5
326.17426	1.4
328.19086	3.0
336.54037	0.5
344.18512	4.0
346.20102	100.0
347.20465	4.4
386.23096	1.2
402.22702	3.3
420.23892	0.6
564.28015	4.4
680.45190	8.2
681.45343	0.7
842.50403	89.0
843.50555	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	842.249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.4
63.02370	0.2
65.03944	0.3
65.32140	0.2
69.03428	5.8
69.72170	1.0
71.04930	0.2
81.03419	0.2
85.02918	0.9
89.03910	2.8
91.05486	2.1
91.26618	0.2
97.02888	0.9
99.04427	0.2
106.04127	0.2
109.02892	0.3
117.03374	10.9
119.04943	6.1
120.22238	0.2
127.03909	2.4
134.03615	0.6
135.04405	0.7
137.05969	0.4
145.02840	40.3
146.03207	0.8
147.04402	32.9
148.04753	0.6
149.05959	4.5
150.05534	0.8
156.64159	0.2
162.03163	0.3
163.03876	0.4
177.05461	100.0
178.05821	2.4
186.05486	0.9
189.05444	0.2
191.07242	0.2
195.06552	0.7
196.06088	0.5
196.79256	0.2
213.09106	0.2
219.66234	0.2
220.42686	0.2
231.06535	0.3
233.08023	0.4
261.07629	0.5
291.08798	0.2
309.09760	0.2
321.09686	4.4
339.10739	28.3
340.11075	0.9
342.09680	2.8
343.10025	0.2
504.15082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.3
65.03931	1.7
67.05499	28.9
68.99811	1.5
69.03424	29.1
69.07063	52.9
69.26061	3.7
69.26485	3.6
70.06600	1.1
71.01373	0.7
71.04993	4.3
71.08632	2.6
73.02905	4.2
73.06556	2.4
73.67735	0.6
78.82731	0.7
79.05485	11.8
80.64175	0.5
81.03413	19.7
81.07048	90.2
82.07388	1.2
82.96812	0.6
83.04987	1.1
83.08217	0.5
83.08609	26.7
85.02897	80.9
85.06572	0.8
85.10191	1.3
86.09708	1.3
87.00819	44.1
87.04466	1.1
91.03934	1.0
91.05484	4.4
93.06484	1.2
93.07039	17.5
95.04978	2.5
95.08600	99.1
96.08926	1.1
97.02882	39.0
97.06534	2.7
97.10155	16.8
99.04451	10.2
101.02370	0.7
103.14814	0.6
105.01856	100.0
105.07027	3.9
107.04982	1.1
107.08585	21.1
109.02872	23.0
109.06499	1.1
109.10146	65.3
110.10539	1.0
111.04464	0.9
111.08109	1.3
111.11708	15.5
111.12442	0.9
115.03922	2.0
117.01862	1.6
117.06989	0.9
119.08588	1.7
121.06457	0.7
121.10135	12.1
123.02928	1.2
123.04433	1.1
123.10986	0.4
123.11694	35.7
125.13253	8.2
127.03905	62.5
129.01793	3.0
131.08525	0.8
133.10100	1.7
135.11678	11.1
137.05983	1.0
137.13232	21.2
137.14256	1.3
139.03886	0.7
139.14786	1.5
145.04944	28.8
146.04446	1.2
147.02869	2.4
147.04195	0.8
147.11697	1.7
149.13245	19.4
151.14804	11.8
153.12737	0.8
157.10112	0.7
159.02885	7.9
161.09625	0.6
161.13229	1.2
163.14813	12.6
165.16376	9.9
169.04916	0.7
169.10101	1.0
173.13190	0.8
177.16377	4.0
179.17888	4.7
187.06055	0.9
189.03844	3.3
191.17935	5.2
193.19504	3.6
205.19501	4.9
209.19002	1.2
213.03918	5.8
219.21085	7.4
223.20570	1.3
231.04959	33.5
235.05957	0.8
237.22203	0.8
249.06036	54.1
273.06021	2.3
275.27316	38.4
276.27432	0.9
293.28360	76.3
294.28659	1.4
297.92300	0.6
317.28577	1.0
320.74313	0.7
329.28238	0.7
339.07034	1.4
357.08319	1.2
359.87970	0.7
365.28214	1.5
383.29370	3.0
383.67712	0.7
401.30466	0.8
424.82355	0.8
443.07959	1.2
461.09006	2.5
469.29199	0.9
479.10223	2.0
487.30182	3.0
505.31677	3.5
523.32568	5.1
541.33716	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	840.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.6
67.05505	19.5
68.99781	1.0
69.03426	5.2
69.07066	17.5
69.35351	8.4
70.06583	1.9
71.04996	4.0
71.08624	2.4
73.02885	1.3
73.06534	1.7
79.05489	6.3
81.03419	7.3
81.07053	34.7
83.04960	1.4
83.08613	15.7
84.08128	1.2
85.02906	11.4
85.06517	2.1
85.10186	0.9
87.00822	5.0
91.05453	6.0
93.06491	1.6
93.07044	22.0
93.07632	1.0
95.04942	3.3
95.08603	66.5
97.02879	5.3
97.06522	3.2
97.10175	4.5
98.34411	0.9
99.04446	1.6
99.08083	1.3
105.01854	5.0
105.07021	7.3
107.07888	1.2
107.08593	22.8
109.02887	4.3
109.06516	1.4
109.10153	18.6
110.10455	1.2
111.08071	4.6
111.11719	2.3
115.21660	0.8
117.07047	0.8
119.04948	0.8
119.08597	6.2
121.10142	15.1
123.08134	1.4
123.11712	16.4
125.09641	1.5
127.03902	6.9
131.08548	1.7
133.10092	5.6
135.11685	7.0
137.13269	5.8
145.04939	1.9
145.10057	1.1
147.11678	5.1
149.13249	20.6
151.11235	1.7
151.14781	2.1
153.12737	0.9
159.02876	2.0
159.11659	1.3
161.13231	4.7
163.14836	8.0
165.16272	1.7
167.14278	4.3
175.14850	1.8
177.16388	5.7
179.14328	1.6
185.09645	1.9
189.16414	1.9
191.17963	2.7
193.87167	0.8
203.18018	2.4
213.04042	0.9
217.19476	4.1
218.69641	0.9
219.21040	1.4
221.19070	1.2
231.04964	3.5
235.20528	0.8
249.06081	1.7
273.06067	1.4
273.25769	14.0
291.26816	100.0
292.27142	3.1
309.27875	20.7
333.27985	1.4
375.28842	0.9
503.29855	2.4
521.30945	2.9
539.31885	2.1
620.11188	0.9
741.15448	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	841.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.3
63.55151	0.8
67.05474	1.5
69.03444	4.5
70.06576	2.8
70.26899	1.3
70.27300	2.3
79.05489	3.1
80.05000	1.6
81.03418	2.2
81.07027	1.0
82.06563	1.7
82.72530	1.1
84.08104	1.1
85.02904	6.9
91.05467	3.0
93.05758	1.4
93.07021	3.9
94.06562	11.9
95.07331	3.9
96.08125	13.8
97.02882	3.3
97.06521	1.8
98.20905	1.0
99.04418	1.2
103.05479	0.9
106.06553	8.3
106.27457	0.9
107.07332	3.7
108.04498	1.2
108.07439	1.5
108.08115	21.1
109.08945	1.5
110.06033	3.1
110.09674	21.2
110.10873	0.9
116.04974	2.3
118.06527	1.7
120.04458	3.8
120.08101	19.4
122.06033	16.8
122.09659	5.4
124.07590	11.7
127.03982	1.4
132.08078	1.1
134.05989	3.6
134.09616	3.4
135.04387	0.9
136.07571	28.0
138.05464	2.3
138.09129	31.1
144.04460	4.2
146.06004	24.3
146.09631	1.1
147.04355	2.1
148.07567	18.8
150.05464	0.9
150.09142	16.6
152.07062	23.9
158.06064	1.9
160.03868	1.7
160.07573	2.0
162.05466	4.1
162.09134	2.2
164.07083	12.2
166.08632	81.4
172.03918	25.9
174.05478	1.8
174.09138	1.6
176.07076	3.1
177.05461	1.4
178.04994	0.9
178.08568	1.4
180.10182	1.3
182.08118	3.6
182.09561	1.1
184.09834	1.2
190.04993	22.7
192.06377	1.1
197.10718	3.5
198.11479	4.3
199.12294	3.3
204.06546	34.9
206.08070	2.0
209.10727	3.6
210.09328	1.3
210.11488	5.4
211.08595	1.0
211.12254	8.5
212.13115	2.9
213.13741	1.2
215.11688	1.2
218.08073	4.3
220.09894	1.5
221.10562	1.5
222.11444	1.9
223.08755	1.1
223.12241	7.3
224.13031	2.3
225.10210	7.2
225.13831	3.1
226.10976	3.2
227.11774	6.2
229.13329	1.0
235.08623	3.1
235.12224	2.8
236.09300	3.9
237.10202	8.5
237.13855	2.8
238.11021	8.7
239.11781	14.9
240.10220	1.0
240.12425	2.0
241.13370	2.6
243.11258	2.5
245.12842	2.3
246.07625	3.4
248.09546	1.6
249.10193	13.4
250.10945	12.7
251.08008	1.5
251.11781	22.0
252.08937	0.9
252.10155	1.0
252.12466	4.7
253.09641	4.2
253.13367	11.2
254.10483	1.0
255.11293	4.6
256.12207	1.4
257.12796	3.6
257.42325	1.0
259.14395	1.0
262.07211	1.3
263.11801	38.2
264.08942	5.4
264.12527	8.4
265.09714	8.6
265.13312	18.2
266.10452	5.5
266.13904	1.4
267.11304	12.6
267.14703	1.6
269.12781	6.0
270.13596	1.0
271.11069	1.9
271.14362	8.0
273.12335	5.2
275.11719	2.3
276.08835	2.3
277.09613	4.4
277.13165	1.3
278.10422	7.3
279.11273	30.1
280.11954	3.8
281.09708	1.7
281.12799	17.8
282.09891	1.8
282.13336	1.9
283.10690	5.7
283.13977	1.7
284.11478	3.8
285.12311	19.3
287.13812	3.5
291.11246	35.7
292.11990	8.7
293.09460	1.2
293.12814	29.1
294.09811	1.1
295.10733	8.3
295.14142	2.1
296.11597	4.2
297.12317	53.1
298.12979	4.8
299.13882	27.8
301.11951	1.0
301.15451	1.7
303.13708	1.2
304.08408	1.1
305.15048	1.7
307.10870	6.4
307.13965	1.7
309.12329	26.6
310.13150	2.4
311.10263	4.2
311.13858	19.4
312.14450	1.3
313.11771	1.3
313.15601	1.8
314.16559	1.0
315.09988	1.6
315.13416	26.0
315.17087	1.6
319.10770	21.9
321.12384	6.2
323.10306	7.6
323.15967	2.7
324.10965	1.0
325.11813	37.3
326.12546	1.3
327.13327	5.7
328.14291	1.3
330.16043	1.8
337.11798	100.0
338.12122	3.3
339.13486	7.0
341.11261	2.7
342.16052	1.2
343.12802	4.0
344.17899	1.2
345.18240	1.7
351.13498	2.1
354.15530	0.9
355.12735	4.4
356.13708	2.0
357.14444	15.8
358.15100	1.4
369.14441	7.4
370.15558	2.0
371.16168	4.4
372.16739	1.5
373.13922	4.6
374.14963	1.5
386.18555	1.5
390.18387	1.4
397.17313	1.0
398.15179	1.6
399.15741	2.5
401.13354	10.5
402.17789	1.7
404.15430	1.7
404.20020	1.8
412.16537	1.8
416.15799	3.9
418.21277	1.9
420.19162	1.9
422.21048	2.0
430.17435	2.5
432.19012	2.9
438.20102	1.5
440.15900	1.2
444.19077	3.6
446.20694	3.6
448.22235	2.9
449.19519	3.0
450.20593	4.6
458.17017	3.7
459.17401	1.8
462.20450	6.1
464.22067	34.4
465.21896	1.9
472.18735	4.2
474.20172	2.6
476.17981	4.2
477.18481	2.3
482.19159	2.8
487.17072	6.5
490.19724	59.4
491.20325	4.8
492.21130	1.5
494.18936	3.5
506.22568	1.4
508.20779	5.4
514.21594	1.9
519.19501	1.3
522.22339	28.2
523.22693	3.1
526.22186	1.4
587.24670	2.4
603.27826	2.9
611.24847	12.2
612.25165	2.4
616.22571	1.2
619.27423	1.1
624.25269	2.0
626.27039	38.4
627.26782	1.6
629.26190	17.8
630.26807	1.7
634.24023	4.3
643.27185	2.2
647.27130	46.5
648.27356	3.3
652.24957	73.6
653.25177	5.7
661.28265	1.7
670.25525	1.5
679.18408	1.2
679.29669	10.7
680.28210	1.4
684.16663	1.7
684.27576	27.8
685.27704	2.0
773.29395	2.8
791.30499	2.8
809.32190	15.1
810.32013	1.4
841.34161	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	840.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.7
61.02919	1.7
61.49153	0.7
65.03934	1.5
67.05499	35.6
67.89099	0.7
68.99791	0.8
69.03422	12.3
69.07060	42.1
71.04981	8.6
71.08635	3.5
71.49325	1.5
73.02898	1.8
73.06561	1.3
77.03897	0.9
79.05013	0.9
79.05484	16.3
81.03413	9.2
81.07048	83.2
82.07371	1.0
83.04970	2.3
83.08614	29.9
85.02374	1.2
85.02897	24.3
85.06536	2.7
85.10167	1.4
87.00816	12.1
91.05471	10.2
93.07036	47.8
95.04965	7.3
95.08598	100.0
96.08878	0.8
97.02879	11.1
97.06523	5.8
97.10152	10.1
99.04456	3.6
99.08094	2.1
101.02370	0.9
102.59800	0.8
103.51788	0.7
105.01854	18.9
105.07016	21.9
107.04954	1.8
107.08584	46.8
109.02867	10.5
109.06519	3.1
109.10147	51.7
110.26273	0.8
111.04469	1.3
111.08071	6.0
111.11704	6.5
113.06029	0.7
113.09661	1.8
117.06989	1.2
119.08573	14.6
121.06509	1.1
121.10128	31.3
123.04389	1.6
123.08012	1.4
123.11692	36.9
125.09598	2.0
125.13230	2.4
127.03903	22.3
127.11176	1.4
129.01878	1.1
129.07042	1.0
131.08542	3.2
133.10115	10.5
135.11676	22.0
135.12709	1.1
137.05980	1.6
137.09665	1.0
137.13229	13.1
139.03886	0.8
139.11189	2.4
143.08575	1.1
145.04942	5.1
145.10135	1.9
147.02902	0.8
147.11673	12.3
149.09579	0.9
149.13245	40.4
151.11191	1.3
151.14803	3.3
153.12750	2.6
157.10133	1.0
159.02916	3.1
159.08044	1.4
159.11678	2.2
161.09637	2.0
161.13245	10.9
163.14803	30.8
165.12750	2.2
165.16388	2.6
167.07082	0.7
167.14326	3.8
169.05096	0.9
171.11694	1.1
173.13229	1.5
175.11203	1.0
175.14857	5.1
177.16399	16.4
181.15880	1.5
185.09540	0.9
187.14775	0.8
189.03929	2.3
189.16368	4.2
191.14194	0.9
191.17923	6.7
201.12698	0.8
203.17935	7.5
205.19650	1.1
208.22050	0.8
209.18965	1.4
213.03946	4.4
215.14264	1.7
217.16302	1.0
217.19498	8.5
219.21088	2.1
221.18993	1.5
231.04977	7.3
231.21045	1.4
233.15445	1.5
233.22552	1.3
235.20482	1.0
243.48570	0.8
249.05991	7.0
251.16484	1.3
273.06079	3.3
273.25748	33.1
274.26257	1.0
291.26794	84.7
292.27145	1.6
311.18817	1.1
333.27893	4.7
334.94650	0.8
339.07272	1.2
345.28098	0.9
357.08093	1.8
357.27820	2.2
363.26474	0.9
375.28995	2.4
381.27942	6.3
399.29138	3.8
417.30060	1.1
443.08200	1.0
461.09357	1.9
479.10059	2.4
485.29153	2.8
503.30093	8.0
521.31085	6.2
539.31915	8.4
547.98291	1.1
636.55536	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	839.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	1.0
67.05482	0.9
67.42132	0.7
69.03418	2.9
69.93275	5.2
70.06594	12.3
72.08151	8.1
73.02904	1.0
79.05498	1.9
80.05020	1.0
81.03426	1.2
82.06582	1.0
84.04494	2.1
84.08138	3.6
85.02902	3.8
85.69900	0.8
86.09713	6.1
91.05485	2.8
93.05746	1.0
93.07070	1.5
94.06566	6.7
95.07370	1.3
96.08142	5.5
97.02872	1.9
98.21486	1.2
102.05537	1.1
103.05454	1.4
106.06554	2.0
108.04481	2.0
108.08116	11.6
110.06039	0.8
110.07155	1.6
110.09684	9.5
116.04984	2.4
118.06547	1.8
120.04482	2.6
120.08100	12.0
121.06492	0.9
122.06034	7.8
122.09673	1.5
124.07617	4.9
127.03896	0.9
129.10216	2.6
134.06017	2.5
136.07574	15.1
138.05481	1.1
138.09145	12.1
144.04456	5.9
145.02869	1.3
146.06001	6.5
147.04491	1.1
148.07594	5.4
150.05481	1.0
150.09100	1.8
152.07085	3.0
159.09113	0.8
159.11411	1.1
160.03957	2.2
160.07631	1.6
162.05455	4.1
164.07104	1.7
166.08636	18.6
166.09967	1.4
172.03923	31.2
173.04427	0.9
174.05489	3.2
176.07082	3.8
177.05508	2.9
186.05438	1.0
190.04979	17.5
197.07089	1.1
198.09230	0.9
199.08705	2.1
204.06558	58.8
209.10773	1.8
211.08781	1.3
213.10202	4.2
214.10902	0.9
215.11830	2.6
223.08717	1.4
223.12271	0.9
224.09367	0.9
225.10236	2.3
226.08690	1.4
226.10901	1.1
227.11755	2.8
229.09865	1.2
229.13393	0.9
235.08456	1.5
236.09348	1.6
237.10210	3.1
238.10982	1.8
239.11877	2.6
241.09746	4.1
243.11320	11.3
247.08772	1.0
248.09489	1.0
249.10301	5.1
250.11049	3.0
251.11777	3.4
253.09761	2.0
255.11308	2.3
256.11908	1.3
257.12802	2.0
261.10123	1.2
263.08035	1.4
263.11798	5.4
264.08920	3.2
265.09738	4.5
265.13336	2.2
266.10587	1.1
267.11349	3.1
269.09201	3.9
269.12622	1.5
270.09879	1.2
271.10846	3.1
273.12436	4.0
277.09781	2.9
278.10318	1.1
279.11224	7.5
281.09332	1.7
281.12799	2.6
282.10059	1.0
283.10797	5.1
284.11719	1.5
285.12299	17.1
287.10226	7.9
291.11252	3.5
293.09406	1.4
293.12732	1.7
295.10898	1.7
297.12311	8.0
299.10861	1.3
299.14023	3.6
301.11929	2.7
303.13391	23.6
304.14499	1.5
307.10938	4.2
309.12405	5.3
311.10208	1.7
311.13660	1.2
313.11984	2.2
313.15427	1.0
314.16779	0.9
315.13571	1.3
316.14413	1.1
317.15421	1.0
319.10675	1.3
323.10312	6.3
323.13742	1.5
325.11853	18.4
326.12711	1.2
327.13449	3.6
328.14456	1.3
329.11621	2.0
329.15277	1.5
330.12222	2.8
330.15677	1.0
335.10269	1.2
337.11780	7.1
339.13626	1.0
342.12360	1.9
343.13019	6.1
343.16696	1.3
344.13855	2.3
345.14563	1.4
346.15585	2.3
347.16476	1.8
355.12924	2.5
356.13852	1.2
356.17868	1.2
357.14447	29.6
358.15381	5.2
359.16428	1.1
367.12991	4.2
369.14557	3.6
370.11548	1.5
370.15665	2.0
371.12799	2.7
372.13382	3.8
373.14059	1.5
374.14944	3.1
376.16632	2.0
383.12027	1.4
385.14160	2.6
386.15048	9.4
387.15741	4.7
388.16983	1.0
392.15851	1.9
394.17551	1.7
396.13162	1.6
400.16806	1.7
401.13556	1.2
402.14072	2.2
402.18509	1.8
404.16092	5.3
406.17609	4.1
410.15295	1.2
414.14438	9.9
415.15314	22.4
416.15671	3.4
418.17642	3.3
420.15485	4.2
428.16031	3.8
429.17279	1.1
430.17767	3.8
432.15402	13.2
434.17267	1.0
438.15799	3.2
444.15283	1.8
446.17297	4.8
456.15594	6.9
462.16531	7.6
474.16574	24.1
475.16843	1.2
476.17517	1.1
487.17319	5.7
488.18127	1.6
494.19186	2.6
506.19135	14.2
512.20349	1.1
520.20850	11.0
521.21259	2.4
522.22314	13.1
567.22284	1.1
583.25348	1.0
585.23279	3.9
599.24988	1.9
609.23206	5.4
627.24463	100.0
628.24707	4.9
641.25897	2.5
645.26062	1.1
659.27051	28.9
660.27167	1.1
677.27307	1.8
682.25580	2.7
684.27118	2.5
700.27179	1.3
760.76190	1.1
771.28351	2.2
789.29742	13.7
821.30304	1.7
839.32458	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	839.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	1.7
69.45602	1.6
69.46021	2.1
70.06591	3.1
71.05026	0.5
72.08141	0.7
79.05487	1.6
79.37907	0.5
80.05024	0.9
81.03411	0.9
82.06572	1.2
84.08144	0.5
85.02897	3.1
86.09705	1.2
89.03923	0.9
91.05491	0.9
93.07040	1.7
94.06567	5.1
95.07344	1.5
96.08117	5.0
97.02907	1.3
99.04456	0.7
106.06553	1.2
107.04940	0.5
107.07412	0.5
108.04475	1.9
108.08105	7.8
110.06036	0.5
110.09678	6.1
115.05454	0.5
116.04993	1.9
118.06534	0.9
120.04446	2.4
120.08095	7.6
122.06020	5.9
122.09662	0.8
124.07581	7.1
127.03920	0.8
132.04474	0.4
132.08092	0.5
134.06041	2.9
136.07578	8.6
137.05937	0.6
138.05566	0.5
138.09134	10.0
144.04431	4.3
146.06003	5.9
148.07574	3.8
150.05441	0.6
150.09135	1.0
152.07048	2.2
158.09669	0.5
160.03955	3.2
160.07578	0.9
162.05476	3.2
163.06310	0.5
164.07086	1.8
166.07224	0.8
166.08630	15.8
172.03931	22.9
172.07578	0.7
174.05449	2.8
176.07071	4.2
177.05507	0.6
178.05020	0.6
186.05547	0.5
187.12338	0.5
188.07074	1.1
190.04979	20.4
197.10728	0.7
198.07809	0.8
199.08675	1.2
201.10176	0.5
204.06552	42.3
205.06860	0.8
208.10112	0.6
209.07985	0.5
209.10793	0.5
211.08656	1.3
211.12326	0.8
212.09438	1.0
213.10252	3.9
214.11005	0.8
215.11765	2.2
223.08638	0.9
224.09381	1.1
225.10202	2.6
226.08655	1.4
226.10860	0.7
227.11748	2.6
228.12367	0.7
229.09779	0.8
229.13396	0.8
235.08775	1.0
236.09415	1.0
237.10231	2.0
238.11020	1.0
239.08197	0.6
239.11758	1.3
241.09647	2.9
241.13417	0.9
243.11288	11.2
243.13660	0.7
244.11765	0.5
245.12979	0.7
249.10370	1.6
250.10693	0.5
251.08177	0.8
251.11731	2.3
252.08966	1.1
253.09818	2.0
253.13358	0.7
255.11319	2.9
256.12183	1.0
257.09351	0.5
257.12878	1.9
259.10889	0.7
263.08191	1.2
264.08899	2.5
265.09766	1.9
266.10568	0.9
267.11389	1.5
269.09290	3.1
269.12912	0.9
270.10190	0.8
271.10712	2.7
273.12338	4.9
277.09705	1.5
278.10565	0.7
279.11267	3.6
281.09445	0.7
281.12845	1.1
283.10767	4.3
284.11609	1.2
285.12335	15.2
287.10245	7.4
293.09329	1.3
294.09958	1.0
295.10797	1.2
297.12347	7.9
299.10437	1.2
299.14035	2.6
300.15137	0.8
301.11981	1.9
302.12869	2.0
303.13406	21.5
304.14197	1.1
305.09180	0.8
306.15793	0.6
307.10889	1.8
309.12418	1.1
311.10486	1.7
312.11414	0.7
312.15076	0.7
313.11911	2.0
314.16571	0.6
315.10333	0.6
315.13699	0.7
316.10977	1.3
316.14478	1.4
317.15146	0.8
318.16116	1.0
323.10245	5.8
325.11832	19.8
326.12762	0.8
327.13373	1.9
328.14554	0.8
329.11533	0.9
330.12479	1.6
330.16165	0.5
331.13260	0.6
332.14166	0.9
337.12018	0.7
339.13388	0.6
340.14777	0.7
342.12439	1.4
342.16220	1.0
343.12915	4.1
343.16522	0.5
344.13867	2.6
345.14609	0.9
346.15622	1.6
347.16269	1.3
354.12488	1.2
354.16357	0.6
355.13028	0.6
356.14011	1.2
357.14438	19.9
358.11935	0.7
358.15582	4.9
359.13333	0.7
360.17407	0.5
368.13965	0.5
370.11945	1.8
370.15903	0.8
371.12759	1.6
372.13345	3.3
373.13791	2.2
374.14783	2.8
374.19058	0.9
376.16690	0.8
381.10693	1.0
382.15814	0.7
384.13232	0.8
385.14252	3.2
386.15005	9.5
387.15878	4.7
388.12482	0.9
388.16809	1.0
391.15726	0.6
392.16147	1.7
394.17471	0.8
396.13788	1.1
400.12311	0.6
400.16986	1.1
401.13535	1.0
402.14410	1.5
402.18362	1.7
403.14899	1.3
404.16016	4.5
406.17691	3.0
410.15167	0.6
412.16583	0.7
413.14105	0.9
414.14462	10.4
414.19684	0.8
415.15253	22.1
416.16052	2.6
418.17880	2.7
420.15433	4.6
427.14951	0.7
428.16122	1.9
430.17917	3.0
431.15726	0.6
432.15536	12.7
433.16223	1.4
438.16040	2.0
444.15277	2.8
445.16211	0.6
446.17090	4.6
446.46503	0.5
447.17383	0.6
456.15515	6.1
462.16614	6.8
464.18314	0.7
469.16302	0.7
474.16574	23.8
475.17020	0.8
476.18243	0.8
487.17105	7.8
488.17966	1.0
494.19022	2.3
506.19183	10.3
519.19647	1.1
535.63904	0.5
539.23230	0.7
557.23700	1.0
567.22284	0.8
581.23889	1.3
583.25519	1.0
585.23639	2.7
591.21979	0.6
599.24951	1.7
609.23517	4.8
627.24451	100.0
628.24725	4.0
641.25897	2.2
659.27045	20.8
660.27271	1.0
753.27905	1.2
771.28857	1.7
789.29755	17.1
790.29657	0.9
821.32831	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	837.355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.0
65.98228	2.1
67.05497	4.2
67.63021	2.1
69.03419	6.0
69.07080	3.2
70.06596	13.1
71.55779	2.9
72.08144	2.6
79.05479	5.6
81.03414	6.7
81.07044	9.0
84.08130	5.8
85.02898	8.6
86.09694	6.2
87.00845	3.8
90.84210	2.3
91.05460	7.4
93.07037	8.9
94.06581	3.4
94.16014	2.5
95.04967	4.1
95.08585	6.2
96.08120	3.2
97.02879	5.8
105.07035	5.8
107.04982	2.8
107.08588	7.7
108.08114	10.3
108.08778	2.3
109.02862	3.4
109.10152	3.2
110.07186	3.1
110.09641	6.3
119.08566	4.4
120.08141	13.7
121.10147	4.2
122.06014	5.9
122.09672	4.3
123.11753	2.1
124.07607	3.1
126.27026	2.1
127.03876	5.4
133.10103	3.0
135.11705	2.7
136.07570	12.8
137.05943	3.5
138.09099	11.3
142.45921	2.0
145.04823	2.8
145.10118	3.5
146.61644	2.1
148.07588	3.8
150.09164	4.9
152.07034	4.3
153.05507	2.3
166.08632	19.8
167.07031	10.9
172.03902	10.1
174.23940	2.0
175.14835	2.5
176.07051	2.2
177.05501	7.0
181.04976	3.6
188.15193	2.1
190.04980	8.2
204.06564	13.5
209.38979	2.0
225.10208	5.9
226.11032	4.0
227.11823	4.1
237.10228	6.0
239.11720	3.6
241.09731	2.3
249.10252	6.6
251.11743	4.2
252.08963	2.4
253.09714	8.4
255.11278	4.1
263.11871	6.2
265.09653	7.8
267.11218	8.2
269.12863	7.9
269.22543	3.8
270.22867	3.6
271.10733	4.7
273.12436	2.6
277.09442	2.9
279.11279	12.6
280.11978	4.6
281.09381	2.9
281.12714	4.7
283.10690	7.6
285.12292	3.6
287.13831	4.1
289.09769	4.8
291.11212	3.0
293.09296	6.5
293.12643	3.4
294.09830	2.2
295.11047	2.6
297.12268	8.9
299.13593	2.4
300.11166	3.0
309.12204	7.5
311.10263	7.0
311.13690	2.4
312.10858	3.8
314.12476	2.8
315.13397	9.1
324.10641	2.3
325.11823	7.3
326.12662	2.6
327.13232	5.9
335.10199	9.4
339.13339	28.7
340.14465	2.2
341.11496	2.7
343.13138	4.7
353.11298	7.5
354.11865	4.7
355.12817	11.8
356.13611	2.8
357.14417	5.6
358.15518	3.0
367.12918	26.1
368.13388	3.1
398.14902	5.9
399.15848	10.4
416.15900	4.0
426.55569	2.0
440.15659	2.4
446.16931	4.3
458.17227	11.4
460.18677	4.0
487.17230	3.7
488.17966	8.9
490.19714	3.9
492.21378	3.6
506.19141	4.0
520.20825	11.2
565.25244	2.5
611.25153	42.1
642.25964	6.7
643.27026	7.8
650.22845	5.9
651.23816	4.5
682.26031	100.0
683.26746	17.1
714.28687	13.2
715.29279	4.5
773.30432	11.3
837.34235	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	837.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.7
65.03912	0.5
67.05491	0.8
69.03094	0.4
69.03407	2.8
70.06594	3.0
71.51404	0.7
72.08147	0.6
73.02901	0.5
79.05493	1.1
79.92213	0.4
81.03408	1.4
81.07059	0.8
84.04501	0.4
84.08132	0.8
85.02902	4.1
86.09711	1.1
91.05487	1.7
93.07037	1.4
94.06581	2.2
95.04955	0.4
95.07362	0.7
96.08124	2.2
97.02867	1.2
99.04401	0.6
104.82610	0.5
105.07004	0.4
106.06562	0.5
107.04943	0.5
107.07307	1.0
108.08123	4.8
109.02860	1.2
109.06519	0.5
110.09671	4.3
118.06498	0.6
119.04935	0.6
120.04475	1.3
120.08107	5.7
121.06523	1.4
122.06024	4.2
122.09652	2.7
124.07599	1.1
127.03876	0.5
134.05992	0.6
136.07573	6.7
137.05945	0.8
138.05473	0.5
138.09123	7.1
140.01418	0.4
145.06503	0.5
146.05992	1.4
148.07568	3.3
150.09126	5.1
152.07033	1.4
157.71329	0.4
160.03961	0.7
161.06038	0.6
162.05580	0.7
164.07101	1.4
166.08633	12.4
166.09967	0.7
167.07013	0.8
172.03928	2.4
177.05444	1.3
180.10246	0.5
181.04955	0.7
190.05006	1.2
194.08176	1.2
196.09735	0.4
204.06564	2.3
209.10725	1.1
211.12210	0.9
222.11563	0.5
223.12247	0.7
225.10158	2.6
227.11819	1.9
232.38527	0.5
235.08752	0.8
235.12360	0.5
236.09401	1.0
237.10207	5.8
238.11136	1.1
239.08073	0.8
239.11752	2.9
241.09767	1.4
245.12959	0.5
248.09406	1.3
249.10197	4.1
250.11031	1.9
251.08232	1.5
251.11792	4.6
252.08777	0.6
252.12534	1.1
253.09712	4.5
253.13391	0.5
254.10513	0.5
255.11209	2.7
261.10196	3.9
262.11087	1.2
263.07635	0.7
263.11798	5.3
264.12402	0.6
265.09747	8.9
265.12927	0.8
266.10437	1.3
267.11212	5.7
268.11960	0.7
269.12903	1.7
271.10825	1.3
277.09711	2.1
278.06583	0.5
278.10532	3.1
279.07840	1.8
279.11227	10.0
280.09235	0.5
280.11911	2.2
281.09290	1.0
281.12781	1.5
282.09991	1.4
283.10779	4.7
284.11417	0.7
285.12299	1.3
287.13937	1.3
289.09689	7.5
290.10458	1.4
291.11206	2.9
292.08301	0.6
292.12112	0.6
293.09268	3.5
293.12866	3.7
294.09995	2.3
295.10782	2.8
296.11490	2.5
297.12329	3.3
299.10303	1.2
299.13751	0.7
305.09341	0.6
306.09915	0.8
307.10831	3.8
308.11600	1.2
309.12299	3.6
311.10309	4.7
311.13922	2.5
312.10947	2.9
313.11865	2.7
314.12711	1.5
315.13684	1.3
317.09122	0.8
319.10840	0.8
321.08707	0.6
321.12283	0.8
323.10156	1.7
323.14011	2.4
324.11005	2.0
325.11896	4.5
326.12683	1.9
327.13379	5.6
328.14481	0.5
335.10202	11.5
336.10718	0.9
337.11810	2.4
339.13367	30.9
340.10516	2.9
340.14114	1.3
341.11371	1.9
341.15024	1.0
343.12759	0.5
352.10809	0.9
353.11365	5.3
354.12140	4.3
355.12875	11.1
355.17291	0.6
356.13748	0.9
357.14478	1.6
358.15521	0.6
367.12869	28.6
368.13455	1.1
370.15176	0.6
371.16217	0.8
372.17303	0.6
380.14023	0.5
388.16965	0.5
398.15082	1.1
399.15668	2.1
400.16458	1.1
402.18649	0.6
416.16101	1.3
432.19495	1.0
442.17661	0.8
444.19421	0.6
446.17175	0.8
458.17352	1.7
460.18625	3.5
461.19409	0.5
470.17407	0.8
474.19955	0.9
478.19614	1.0
488.18207	10.3
490.19656	1.0
492.21368	1.6
502.20099	0.6
506.19025	4.8
520.20801	15.3
534.18799	0.9
552.23517	4.0
574.00195	0.5
611.24902	6.1
622.24353	0.6
632.22467	0.9
642.26019	1.0
643.26727	1.3
650.23328	8.5
654.25861	0.6
675.26526	1.1
682.26007	100.0
683.26129	4.6
714.28607	7.8
715.28546	1.0
773.29974	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	835.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46491	0.6
67.05495	1.8
69.03409	1.5
69.07063	0.7
70.06582	1.7
70.91256	1.2
72.08134	0.7
79.05490	1.3
80.05032	1.0
80.15808	0.6
81.03419	0.9
84.04468	0.6
84.08153	1.2
85.02898	1.9
86.09710	0.9
88.15244	0.6
89.03902	1.3
90.87022	0.6
91.05495	1.7
93.07024	1.7
94.06555	2.5
95.04953	1.1
95.07319	1.0
96.08112	2.5
97.02891	1.0
103.05471	0.6
103.68905	0.7
105.07018	1.2
106.06581	0.9
107.08586	0.7
108.08093	2.2
110.09655	2.9
116.04963	2.7
120.08087	3.7
121.06488	1.4
122.06023	5.8
124.07591	5.7
127.03935	1.2
136.07602	5.3
138.09135	4.9
144.04445	5.8
146.06041	1.8
148.07556	1.4
149.48018	0.6
150.05550	0.7
150.09094	1.1
151.07565	0.7
152.07072	1.8
160.03912	0.7
162.05524	3.3
166.08600	7.3
167.07024	2.7
168.06552	1.3
172.03932	45.4
173.04318	1.8
174.05487	1.0
177.05524	1.2
178.74089	0.7
181.04926	0.8
182.08105	1.4
182.09641	0.7
184.11224	0.6
185.10794	1.0
188.06920	0.7
190.04982	11.4
197.10623	0.8
198.09151	1.7
199.12408	0.9
201.05388	0.7
201.10243	1.5
204.06549	79.4
205.06889	2.0
211.08505	0.8
212.10765	2.3
213.10115	3.0
215.11714	1.5
218.08171	1.1
225.10281	3.1
227.08182	1.8
227.11806	1.8
229.09760	2.4
229.13220	0.9
238.11063	0.7
239.11674	1.4
241.09691	5.6
241.13254	3.0
242.10483	9.4
243.11330	4.4
251.11609	0.8
255.11263	1.9
256.12094	8.3
257.10342	1.2
257.12784	9.5
258.11163	1.3
258.13724	1.6
267.11337	0.9
272.12674	1.1
279.11218	2.0
284.11499	6.0
285.12439	3.2
287.10330	1.7
289.15488	4.2
297.12427	2.5
302.12515	3.5
307.10889	0.9
315.13474	1.4
317.14951	100.0
318.15378	5.1
325.11856	13.2
326.12112	0.7
329.11362	1.2
329.14957	1.5
339.13364	1.4
343.12863	4.0
357.14450	23.2
357.18869	1.4
358.14899	1.4
365.05618	0.8
417.16080	0.7
427.10056	0.8
432.19318	0.6
438.14709	0.7
449.44992	0.6
459.17014	0.6
476.18439	3.1
487.17184	9.1
488.17889	2.0
508.20743	1.3
519.19501	2.0
597.26807	2.2
609.22955	1.8
613.26611	1.0
623.24591	0.9
641.26129	10.8
673.27582	1.8
759.31769	1.3
803.31018	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	828.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.8
69.03422	1.9
69.07051	0.9
70.06593	17.1
70.24783	3.3
72.08141	3.8
75.11200	1.3
79.05482	3.4
81.03422	1.5
81.07037	1.8
82.06590	1.6
84.04514	2.9
84.08128	5.2
85.02911	2.0
86.09698	7.0
91.05461	3.6
93.07037	4.3
94.06565	6.2
95.04967	3.2
95.07317	5.0
96.08128	10.8
97.02893	2.0
97.06532	1.1
98.06061	1.1
99.58361	0.9
102.05553	1.3
103.05429	1.6
104.74733	1.1
106.06523	2.0
107.04942	3.0
108.08110	13.5
108.95381	1.0
110.09672	18.1
117.03387	1.6
120.04487	1.6
120.08091	18.3
121.06532	2.4
122.09671	2.1
123.04425	4.5
123.06789	1.0
124.07615	1.9
129.10240	3.3
133.06500	0.9
136.07581	8.4
137.02332	2.8
137.05917	1.7
138.05533	1.2
138.09129	24.2
145.02861	2.2
147.04414	1.7
148.07523	5.0
150.09142	3.5
152.07054	5.4
153.05461	5.3
160.07529	1.4
162.05524	1.1
163.03905	2.3
164.07059	6.9
166.08636	26.2
167.07056	1.9
168.10187	1.5
177.05493	4.2
182.08128	3.3
198.11528	1.3
204.06528	1.7
231.07600	3.3
237.10248	3.5
239.08115	1.3
239.11847	2.0
247.08525	1.4
249.10268	6.5
251.11829	4.9
252.11604	1.0
253.09790	1.4
261.10202	1.6
263.11774	5.3
264.11261	9.0
265.09634	2.8
265.12155	2.1
267.11386	2.1
269.12625	1.1
273.12366	1.1
275.08243	1.1
275.11661	1.2
277.09753	2.4
279.07724	2.3
279.11136	2.3
280.14468	1.3
281.09198	2.0
281.12570	1.9
283.10876	2.2
283.14154	1.1
284.11609	1.2
287.13919	1.3
289.09610	3.1
291.11252	3.0
293.09259	13.0
293.12494	1.9
294.07443	1.3
294.12521	1.3
295.10788	6.0
297.12262	2.2
307.10718	3.5
309.08713	2.8
309.12308	7.6
319.10760	2.7
321.08755	11.3
321.12216	2.4
323.15860	1.3
324.13394	7.3
325.12000	1.4
329.12653	2.7
335.10324	2.3
337.11679	1.7
339.09592	6.3
341.12424	2.3
342.13361	1.5
343.14429	2.7
350.11313	1.1
352.11682	1.0
353.11310	7.2
355.10367	1.4
356.11847	2.0
357.12186	9.1
358.13016	3.5
359.13803	8.0
365.12936	2.3
367.13397	1.7
368.11505	2.8
369.12292	9.9
370.13147	5.0
371.09988	2.3
371.13992	18.5
372.10562	2.1
372.14636	1.8
373.15515	2.8
381.12106	2.3
383.09872	7.0
383.14087	4.3
384.10696	2.0
385.11417	6.9
385.16025	1.8
386.12549	1.5
387.13150	1.3
393.12790	1.5
394.13461	1.1
395.13968	1.8
396.10550	1.6
397.11786	10.3
398.12579	4.1
399.13235	6.2
401.15045	6.4
402.17920	1.1
403.13416	1.4
411.13403	4.8
413.14731	3.5
415.12585	6.8
416.13992	1.7
417.14377	8.9
427.12845	1.8
428.16089	5.3
429.14468	14.8
430.15262	1.9
431.15982	2.2
439.12717	3.9
445.13831	14.3
446.17328	1.1
448.18674	1.4
457.13977	13.3
460.18542	4.3
470.17267	2.4
472.14529	1.5
474.16275	5.7
477.16248	32.1
478.16446	1.6
486.16580	2.0
488.18066	4.4
489.16440	5.6
490.16797	1.3
491.17993	1.7
504.17587	3.0
506.19196	28.5
507.19534	1.7
512.18701	1.2
516.51294	1.1
520.20349	3.5
522.18774	2.4
531.22131	1.5
538.22070	1.4
559.96228	1.1
577.24133	1.7
582.22247	2.9
592.20551	3.5
595.25348	6.4
610.21759	18.7
613.23511	2.4
621.23230	2.4
624.22943	1.2
625.23010	2.1
627.27893	1.2
629.26422	4.9
631.23816	4.3
639.14081	1.5
639.24500	22.5
640.25134	4.5
641.25897	2.1
642.24445	41.9
643.24438	8.0
653.25867	10.8
671.27069	100.0
672.27277	9.6
675.28107	1.7
760.29297	4.9
778.30402	3.8
796.31738	7.2
797.32275	1.5
828.34045	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	828.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.5
63.02374	0.3
65.03923	0.2
65.15518	0.1
69.03425	5.1
69.20312	0.3
69.20729	0.7
70.06566	0.4
79.05476	0.4
81.03392	0.3
82.81133	0.1
84.08107	0.2
85.02896	0.8
86.09684	0.1
89.03908	2.9
91.05472	1.6
92.47077	0.1
95.04957	0.1
97.02881	0.7
99.04446	0.2
100.28748	0.1
104.05019	0.1
107.04951	1.1
109.02868	0.3
117.03371	4.3
119.04931	5.3
123.04411	0.2
127.03906	2.3
132.04433	0.2
135.04404	11.4
136.04720	0.2
145.02837	9.4
147.04395	26.5
148.04742	0.5
150.05487	0.7
152.07112	0.1
163.03886	100.0
164.04211	1.6
173.05891	0.2
177.05449	0.3
181.04922	1.0
182.98514	0.1
186.05492	0.2
196.05988	0.4
219.06499	0.2
247.05981	0.3
307.08087	4.1
307.11661	0.2
309.09622	0.2
316.86356	0.1
325.09146	27.5
326.09454	0.7
339.23227	0.1
342.05722	0.2
342.09686	2.9
385.98560	0.1
422.81989	0.1
471.12534	0.2
504.14728	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	828.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.3
62.02490	0.1
65.03922	0.7
69.03429	1.1
70.06578	0.4
70.96972	0.1
70.97318	0.2
71.05003	0.1
71.91598	0.1
72.08160	0.1
73.02894	0.1
75.50536	0.1
76.48934	0.1
81.03410	0.4
84.08145	0.1
85.02902	3.0
85.28407	0.1
86.09726	0.1
87.04475	0.1
88.89310	0.1
89.03922	0.1
91.05476	5.5
92.05810	0.1
97.02888	0.8
99.04437	0.2
105.64815	0.1
106.08420	0.1
107.04967	0.1
109.02877	0.4
110.07178	0.1
117.03399	0.2
119.04936	15.2
120.05260	0.3
127.03906	0.6
129.10205	0.1
132.04457	0.6
135.04393	0.3
145.02873	0.3
145.04950	0.3
147.04402	100.0
148.04742	2.5
150.05492	2.5
163.03899	3.8
164.04263	0.1
165.05502	0.2
177.05467	0.2
178.04968	0.6
179.75606	0.1
196.06052	2.4
202.04930	0.1
226.74428	0.1
282.07642	0.2
291.08670	0.2
296.09204	0.1
307.08060	0.1
309.09750	0.6
312.10870	0.1
325.09164	0.9
342.09705	18.5
343.10059	0.9
358.11319	0.4
447.58817	0.1
504.07684	0.1
504.15042	2.8
505.15482	0.2
697.27087	0.1
815.88666	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.5
65.03925	2.9
66.04694	0.8
67.05481	1.8
69.03426	6.9
69.07059	1.3
70.06594	6.3
71.04976	1.4
71.18677	0.7
71.19005	0.7
72.08133	2.2
73.02921	0.8
75.04474	0.7
77.03899	0.9
78.04697	2.0
79.05160	0.5
79.05489	5.9
81.03413	13.2
81.07028	1.2
82.04179	1.3
82.88314	0.7
84.04503	1.0
84.08114	2.0
85.02901	19.5
86.09696	8.9
87.04442	0.9
87.10020	1.2
89.03867	0.7
91.04924	0.6
91.05473	10.0
93.03398	3.0
93.07032	7.1
94.06460	0.6
95.04963	5.2
97.02892	6.3
97.06513	1.8
99.04414	1.7
102.05513	1.0
103.05460	22.4
105.03384	1.5
105.04513	1.2
105.07024	23.2
106.04159	4.8
106.51458	0.6
107.04945	8.2
108.08154	0.6
109.02860	2.7
109.06444	0.7
110.03620	1.0
110.07179	0.6
111.04414	2.0
113.06023	2.9
115.05451	10.1
117.03416	0.7
117.07011	4.8
118.04140	5.2
119.04929	3.1
119.08548	1.1
120.05683	0.9
120.08081	2.1
121.05679	1.1
121.06501	18.1
122.06067	0.6
123.04419	5.7
124.05193	2.4
125.05972	4.2
127.03891	5.1
129.07021	1.2
129.10258	1.0
130.04134	0.8
131.04913	14.0
131.05910	1.1
131.08545	1.3
132.05743	3.3
133.02843	1.8
133.06482	23.5
134.03581	1.8
135.04361	2.1
135.07999	1.5
136.07556	2.8
137.05972	3.8
138.09102	0.7
140.04716	0.6
141.06973	0.9
142.02597	1.2
143.04922	1.6
143.06039	1.5
144.05711	1.5
145.02803	1.8
145.04968	5.1
145.06471	8.2
147.04414	3.1
147.08025	2.5
148.04140	1.0
148.05179	8.3
149.05969	34.4
151.03928	4.2
151.07523	6.6
152.04681	2.0
152.06984	0.7
153.05463	3.4
153.09087	1.4
155.07050	1.8
156.05714	1.1
157.06340	0.7
159.04349	1.5
159.08014	2.0
160.05205	0.7
161.05969	21.7
162.06685	1.0
163.03954	1.5
163.07532	16.4
165.05450	1.1
165.09087	1.5
166.06221	1.1
166.08662	0.8
167.07031	72.6
171.06525	2.5
173.05975	7.4
174.06567	0.7
175.07524	2.7
176.04646	2.7
177.05458	14.2
177.06915	1.1
177.09099	1.1
178.06247	1.2
179.07051	2.0
180.07718	0.7
181.04953	53.0
181.08557	26.5
183.06419	1.2
183.07957	0.7
187.04153	0.6
187.07544	2.7
189.05472	0.9
189.09109	0.7
190.06204	2.3
191.07018	55.6
192.07774	1.1
193.08591	80.4
194.09138	1.1
195.06438	1.7
201.05437	1.9
202.06235	0.8
203.06996	2.3
205.08589	7.3
207.06483	2.4
207.10155	1.6
209.08076	100.0
210.08447	0.9
217.08618	3.9
219.08234	1.0
219.10074	3.2
221.06062	1.2
221.08099	1.9
223.09747	1.0
225.07532	1.0
231.06358	0.7
233.08066	5.7
234.06593	1.0
235.07466	1.6
235.09612	9.4
245.07939	1.5
247.07549	0.8
248.08217	1.0
250.06113	0.7
252.07852	1.4
259.09689	0.8
263.09174	11.3
265.10733	2.6
267.10229	1.7
269.08157	1.0
271.09518	0.7
279.10150	0.9
281.08383	0.8
295.12128	3.1
296.10464	0.7
297.11148	1.2
307.09567	0.9
325.10709	2.1
327.12238	0.9
329.13864	1.4
330.10669	0.8
333.65955	0.6
339.12418	0.9
357.13232	3.5
369.13318	1.1
370.69077	0.6
371.13342	4.6
381.13647	0.8
383.14639	0.9
385.12875	7.3
387.14676	0.9
399.14383	2.4
401.16068	1.0
415.17386	0.7
417.15405	12.6
577.20673	1.5
579.22034	2.0
609.23438	4.3
611.24701	1.1
724.11017	0.7
793.17773	0.7
824.41339	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	824.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.1
63.02365	0.7
65.03936	3.5
67.05502	1.6
69.03428	8.1
70.06587	4.3
71.04995	1.7
71.51566	0.9
72.08144	1.6
73.02895	0.9
75.04493	0.6
77.03902	0.9
78.04705	2.4
78.31622	0.6
78.69714	0.5
79.05484	7.4
81.03410	11.6
81.07076	0.7
82.04177	0.8
83.04966	0.6
84.04460	1.1
84.08138	1.4
85.02899	20.7
86.09698	7.9
87.04453	0.9
87.10027	1.2
89.03886	0.9
91.03944	1.3
91.05477	13.8
93.03390	2.0
93.07039	8.2
95.04979	5.5
97.02888	7.5
97.06519	1.8
99.04437	1.8
101.06046	0.5
103.05456	23.8
104.06309	0.9
105.03371	1.6
105.04518	1.4
105.07026	24.1
106.04159	4.2
107.04951	9.8
109.02865	2.4
109.06484	1.0
110.03622	1.8
110.09663	0.8
111.04433	1.1
113.05986	2.6
115.05452	7.9
117.03360	1.2
117.07014	4.9
118.04157	4.9
119.04924	2.6
119.08568	0.8
120.08128	1.3
121.02918	0.6
121.06496	21.6
122.03586	0.7
123.04416	5.4
124.05185	2.9
125.05994	4.5
127.03898	5.6
129.06992	2.2
129.10217	1.1
130.04140	1.9
131.04924	18.7
131.05960	1.0
131.08517	0.7
132.05704	3.0
133.02855	1.8
133.06479	25.2
134.03636	1.7
134.06929	0.5
135.04437	1.6
135.08026	2.3
136.05194	0.9
136.07568	2.1
137.05963	5.2
138.03105	1.1
138.09038	0.7
139.03929	0.7
139.07515	0.7
142.02625	1.4
143.04906	2.4
143.06032	1.6
144.05679	1.6
145.02821	2.2
145.04956	5.7
145.06465	6.9
146.03601	1.0
146.94249	0.6
147.04413	1.8
147.08034	3.5
148.05151	8.5
149.05966	40.3
150.06697	1.0
151.03911	5.0
151.07539	6.4
152.04631	2.2
152.07074	0.6
153.05470	2.4
153.09074	2.0
155.07091	1.1
157.06497	1.6
159.04410	1.4
159.07990	1.4
160.05164	1.3
161.04637	1.4
161.05974	26.2
162.06595	0.9
163.03889	2.2
163.06125	1.0
163.07533	16.7
164.07092	0.9
165.05466	1.0
165.09085	1.5
166.06279	1.2
166.08664	1.3
167.07028	83.8
171.06540	2.8
173.05978	8.5
174.06761	0.8
175.03908	0.8
175.07530	2.8
176.04677	2.9
177.05457	16.2
177.09152	1.3
178.06160	1.8
179.06989	1.9
181.04945	55.4
181.08560	26.8
183.06488	0.8
187.07460	3.6
189.05457	1.8
189.08997	1.1
190.06274	2.4
191.07014	63.0
192.07607	2.2
193.04895	1.8
193.08592	81.4
194.08955	1.6
195.06470	2.6
197.07974	0.7
199.07515	0.7
201.05408	1.9
202.06174	1.3
203.07027	2.9
205.06801	1.0
205.08578	8.2
207.06445	3.4
207.08275	0.8
207.10121	2.1
209.08072	100.0
210.08356	1.3
211.09641	0.9
217.08630	3.8
219.10081	4.5
220.07347	0.7
221.05959	0.8
221.08073	1.3
223.07466	0.7
225.07462	1.0
233.08028	4.0
234.06619	0.6
235.07449	1.6
235.09618	10.1
236.08199	1.0
245.08005	1.0
251.06815	1.0
252.07953	0.8
263.06653	1.2
263.09131	13.3
264.07675	0.7
265.08264	0.8
265.10706	2.6
267.10089	2.7
269.11942	0.9
287.09491	0.8
289.10855	0.7
293.08054	1.4
295.12167	3.0
297.11169	0.9
299.09067	0.7
307.09338	0.9
309.07596	0.7
323.09094	0.8
325.10654	2.5
327.12296	0.7
329.13812	1.8
331.11755	1.1
339.12039	0.9
357.13284	4.6
359.14899	1.0
367.11563	1.9
369.13229	0.7
371.13208	5.6
383.14807	1.2
385.12708	6.0
387.14160	0.9
399.14270	1.7
401.16132	0.8
417.15369	12.7
418.15494	0.8
440.52408	0.6
520.20587	0.7
577.20209	1.7
604.11475	0.6
609.23071	4.6
611.24927	1.3
662.27917	0.9
824.40747	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	823.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	3.4
67.05475	2.7
69.03426	3.6
69.07059	3.6
70.06599	24.6
70.22002	5.7
71.23443	2.4
72.08157	4.3
73.33389	2.4
74.06056	2.5
79.05492	4.9
81.03428	4.2
81.07069	3.6
82.06570	2.2
82.53257	1.8
84.04496	4.5
84.08138	9.9
85.02919	9.5
86.09707	22.2
87.10024	3.3
91.05473	9.2
93.07040	7.4
94.06586	12.9
95.04957	3.5
95.07350	5.8
95.08588	2.8
96.08141	18.0
97.02899	3.9
103.05460	5.1
105.07008	4.5
107.04910	3.4
107.07372	2.1
107.08578	2.2
108.04472	2.1
108.08118	16.1
109.10174	2.7
110.07164	2.1
110.09685	30.0
114.93570	1.8
116.05000	4.0
119.04986	3.3
120.04494	5.3
120.08121	25.2
121.06512	5.8
122.06037	6.1
122.06923	2.7
124.07565	6.9
129.10222	4.2
134.06046	3.7
136.07576	21.5
137.05978	4.7
138.05527	6.0
138.09143	43.7
143.11830	2.5
144.04443	4.9
145.02838	3.3
146.06001	6.2
147.04419	3.2
148.07561	9.2
149.05997	3.1
150.09186	2.9
152.07045	3.5
155.08214	2.7
160.03894	2.4
161.06012	4.5
162.05536	7.4
163.07515	2.5
164.07100	3.1
165.05482	2.8
165.41504	2.4
166.04999	4.7
166.08650	70.7
167.07040	11.7
172.03932	52.1
174.05460	3.0
176.07118	2.8
177.05501	6.9
181.04944	6.7
181.08659	3.3
190.04984	19.7
191.07030	5.4
193.08540	2.5
204.06557	78.6
207.06552	4.7
209.08119	8.0
213.10257	2.5
225.10239	6.3
227.11765	6.9
236.09512	3.1
237.10242	9.1
239.08215	2.9
239.11827	5.8
241.09761	3.8
243.11282	2.3
245.12761	2.2
247.14435	2.8
249.10136	3.3
251.11931	9.9
253.09660	6.6
253.13486	2.1
255.11322	4.7
265.09729	23.5
266.10522	5.1
267.11285	7.4
269.12808	7.3
271.10831	8.2
273.12360	9.3
277.09967	2.8
278.06497	5.6
279.11334	13.2
280.08728	2.6
281.12814	3.3
283.10809	9.9
284.11081	2.1
285.12317	6.7
287.13953	9.2
293.09259	13.2
294.09839	5.1
295.10654	3.6
297.12338	8.4
299.10266	2.6
299.13828	3.3
303.04947	5.4
305.14990	4.2
307.10690	5.9
309.12234	4.1
311.10364	3.3
312.11200	2.5
313.11771	8.1
314.10873	2.5
323.10104	5.1
325.11880	22.6
330.12286	2.2
335.10318	11.2
340.10696	2.8
341.11411	17.9
343.13159	3.5
353.11349	13.2
357.14441	31.3
373.13922	7.8
382.11725	2.4
385.14032	7.5
398.14749	5.6
399.15701	4.8
416.15796	6.2
434.17035	2.7
446.16711	2.6
458.16946	9.3
460.18515	3.7
465.18817	7.6
478.19879	6.0
488.18042	7.9
490.19708	2.9
506.19266	100.0
507.19431	3.0
510.22449	6.0
520.21344	11.2
538.21893	94.2
539.22333	2.5
611.24902	29.7
627.24500	2.6
629.25732	14.9
643.27271	8.4
661.28180	3.5
668.25031	3.5
753.31335	2.2
773.28979	6.9
791.31012	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	823.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19064	0.8
62.84699	0.9
65.03933	1.5
67.05496	4.8
69.03417	3.9
69.07056	1.3
70.06595	4.8
71.16676	1.2
71.17009	1.6
72.08125	1.5
79.05483	3.9
80.05033	1.2
81.03403	4.4
81.07040	2.2
82.06569	1.0
84.08105	0.9
85.02912	6.6
85.04884	1.0
86.09683	3.6
87.00822	1.1
90.83029	0.9
91.05494	4.5
92.04971	1.2
93.05776	1.0
93.07042	5.2
94.06567	12.3
95.04948	2.4
95.07340	2.1
95.08583	2.8
96.08130	9.5
97.02865	3.1
97.06552	1.2
105.01124	1.1
105.07011	1.5
106.06548	4.3
107.04935	1.4
107.07322	1.7
107.08561	1.6
108.04469	1.9
108.08120	17.5
109.02869	1.8
109.10118	1.9
110.05978	1.2
110.09674	16.4
116.08692	0.8
118.06506	1.5
119.04906	1.3
119.08549	1.8
119.62975	0.9
120.04459	5.8
120.08088	13.0
121.06468	1.7
122.06023	9.5
122.09666	2.5
124.07594	5.3
127.03887	2.0
132.08070	1.0
134.06076	1.4
136.07578	25.9
137.05945	2.1
138.05469	1.8
138.09137	25.1
146.05966	1.1
146.09621	2.0
148.07573	16.5
150.09111	3.2
151.89018	0.9
152.07030	3.0
154.08566	1.7
158.09612	1.5
159.04370	0.9
162.05521	5.0
164.07050	3.4
166.08630	48.7
167.07039	3.9
173.05872	1.1
174.09055	4.9
177.05440	2.4
178.04979	9.4
181.04933	1.0
182.05869	1.0
182.09573	1.2
184.07587	4.4
186.09100	1.8
187.08705	1.3
188.03432	16.3
188.10684	1.6
191.11827	4.1
192.06636	1.2
196.05980	3.1
196.07591	9.9
196.11256	1.1
197.08319	1.5
198.09099	3.4
199.08621	2.5
201.10208	1.1
204.06483	1.3
206.04474	2.0
210.05457	9.4
211.12256	1.4
212.07051	3.5
213.10193	2.6
214.12277	1.5
215.04573	2.7
216.13785	1.5
219.11250	4.3
221.10703	1.3
222.05464	2.8
222.11479	1.2
223.12283	1.3
224.07106	4.5
224.10829	1.4
225.10239	1.7
226.08665	1.5
226.10825	1.2
227.08109	5.7
227.11728	2.6
228.06499	1.5
229.13461	1.6
237.10275	4.7
237.13841	1.7
238.08511	1.4
239.08167	3.8
239.11787	5.3
240.06607	5.1
241.09615	7.1
242.08147	2.9
242.11905	1.7
243.11336	2.4
249.08002	1.1
249.10051	5.5
250.08598	1.9
250.11009	2.8
251.11761	12.0
253.09612	5.5
253.13342	2.8
254.08130	2.3
254.10455	1.2
255.11240	3.9
257.12860	1.6
263.11804	8.4
264.12546	2.1
265.09824	4.9
265.13229	5.4
266.04504	1.5
266.10422	5.3
267.11234	5.4
269.12943	2.3
271.14410	8.5
273.09778	1.0
273.12418	2.2
274.11124	1.6
277.09705	3.3
278.10522	2.0
279.11246	8.6
280.12054	3.4
281.09177	2.6
281.12799	6.5
283.10886	1.1
285.12338	3.3
289.15408	2.9
291.11301	5.6
292.12091	2.4
293.09579	1.7
293.12814	7.6
295.10684	3.6
297.12299	2.3
301.12106	1.4
302.10211	1.3
303.13535	1.1
309.12231	1.7
311.13879	2.6
313.11765	5.1
313.15488	3.6
315.13391	4.0
319.14413	2.1
325.15445	2.2
329.12430	1.1
331.12906	5.9
337.11792	1.9
341.11203	2.3
343.10831	1.0
344.13770	1.3
346.18994	1.4
347.13721	3.5
357.14648	1.7
360.16846	2.0
362.14923	2.8
369.14377	1.8
372.17188	3.0
375.08875	1.7
375.13339	18.4
386.14258	1.4
386.18652	3.9
392.15945	2.2
393.14349	2.1
397.15454	1.3
402.17993	5.5
406.17542	2.2
407.16058	2.3
408.19296	1.1
412.17105	1.3
414.18124	9.4
420.19489	1.5
432.18988	1.4
434.21011	9.5
444.19180	2.4
446.20911	22.3
448.18680	3.5
460.22275	1.3
464.18207	3.5
466.19629	2.3
472.19034	1.4
476.16574	1.3
476.22266	2.0
478.23737	15.1
490.19537	5.7
496.20898	1.7
497.21271	1.1
508.20786	3.9
522.22791	5.2
540.23438	16.4
557.23584	1.3
567.25946	8.9
568.24164	1.2
569.24304	1.4
581.27533	2.2
583.25433	1.2
585.26453	1.5
587.24963	3.0
593.24213	1.2
599.28601	100.0
600.29193	4.7
611.25372	5.2
617.28955	1.7
625.26135	3.2
629.25958	18.6
630.26416	1.2
643.17224	1.5
643.27563	22.6
644.27466	1.6
661.28625	77.8
662.28589	4.3
702.28143	2.9
725.31348	1.1
730.55212	1.2
761.33405	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	821.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	18.5
57.07062	2.0
61.02925	73.7
65.03931	2.1
67.05502	28.1
69.03426	25.0
69.07063	6.4
71.01350	2.6
71.04982	4.0
71.19125	1.5
73.02914	22.5
75.04460	1.5
76.36436	0.7
79.05490	19.8
81.03416	21.2
81.07053	27.0
83.01333	0.8
83.04978	4.7
83.08627	3.7
85.02902	100.0
85.06551	1.1
86.03213	0.7
86.97069	0.6
87.04473	3.4
88.07626	1.1
91.03951	53.4
91.05471	13.0
91.61720	0.7
93.07040	21.9
95.04953	4.3
95.08602	23.4
96.55790	0.6
97.02887	76.2
97.06481	1.1
97.10155	1.4
99.04444	12.1
99.05027	0.9
101.02363	5.4
102.09196	1.1
103.03934	10.5
105.07027	10.1
107.04966	1.2
107.08585	13.3
109.02875	11.0
109.06506	1.7
109.10149	8.6
111.04449	3.1
111.08060	1.2
115.03929	6.0
115.05376	0.8
115.62909	0.7
117.05473	2.1
117.07000	4.6
119.08560	9.1
121.06513	0.8
121.10149	11.1
123.08051	1.3
123.11693	5.2
127.03912	33.4
129.05469	4.6
129.06967	1.8
131.08565	7.4
133.10129	7.3
135.08102	1.0
135.11690	6.8
137.05952	1.1
137.09521	1.1
137.13242	1.0
141.07068	1.1
143.08574	1.5
145.04953	32.3
145.10118	6.5
147.04422	0.7
147.11694	5.9
149.02339	3.4
149.09648	0.9
149.13275	5.5
151.14743	1.0
155.07048	1.1
155.08498	1.2
157.10089	2.2
159.06609	3.8
159.07832	0.8
159.11679	8.3
161.09599	1.0
161.13200	4.4
163.06012	18.5
163.11148	0.8
163.14793	3.6
167.10771	0.7
169.05072	0.8
169.10153	1.4
171.06558	1.9
171.07985	1.0
171.11702	1.4
173.13216	5.0
175.14876	2.5
177.16370	1.6
183.06526	9.6
183.11688	1.0
185.09618	0.8
185.13232	2.0
187.14848	2.4
189.12804	0.9
189.16292	1.0
191.14240	1.0
193.04944	0.9
197.13193	1.1
199.14763	1.1
201.07558	5.4
201.16411	1.7
211.14867	0.8
223.06038	1.1
228.23293	2.6
233.22586	1.0
243.21043	4.8
259.20718	2.1
261.22095	15.9
268.61014	0.8
272.25803	0.9
277.21640	1.4
279.23209	1.2
279.89835	0.7
285.22067	1.3
287.23636	0.8
289.21857	1.1
291.23154	0.8
299.23663	1.1
303.23248	2.2
309.22296	0.9
315.23224	1.1
317.24780	1.1
319.22180	0.7
323.23645	0.7
327.23239	2.5
329.92169	0.8
333.24353	1.2
335.25790	51.7
336.26099	1.9
341.24698	1.1
345.24268	1.4
351.23199	2.7
353.26971	1.5
359.25708	1.1
363.25436	2.8
369.24042	4.0
377.26645	3.3
387.25406	2.4
389.26801	1.2
393.27005	0.8
401.27039	1.0
405.26663	1.5
419.27704	0.9
443.27679	4.2
461.28928	4.9
479.30103	9.3
497.31253	2.7
630.73206	0.8
649.95587	0.7
822.36383	3.0
853.17206	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	821.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
57.07070	3.3
61.02913	0.9
64.59328	0.6
65.03939	2.4
66.04722	0.8
67.05502	25.8
69.03427	6.3
69.07064	29.9
69.46041	4.2
70.06594	4.4
71.04988	6.2
71.08617	0.7
72.08134	1.2
73.02923	0.5
77.03906	0.5
79.05022	0.7
79.05489	19.2
81.03421	6.0
81.07051	100.0
82.07394	1.2
83.04986	1.5
83.08611	5.0
84.04529	0.8
84.08133	1.3
85.02901	11.0
85.06540	3.5
86.09709	2.7
87.00826	4.6
91.05468	14.2
93.06412	0.8
93.07037	40.5
95.04958	6.7
95.08601	49.6
96.08127	0.8
97.02886	4.6
97.06522	7.4
97.10131	3.2
98.20676	0.6
98.96255	0.5
99.04447	2.0
99.08097	1.0
103.05460	1.5
105.01862	5.5
105.07023	26.7
107.04935	0.7
107.08585	43.8
108.08120	1.2
108.08824	0.6
109.02863	6.1
109.06523	5.0
109.10150	40.0
111.04449	0.8
111.08075	3.0
111.11725	1.9
113.09618	0.7
117.06973	3.1
119.04973	0.8
119.07716	1.0
119.08573	19.9
120.08114	1.8
121.06509	2.0
121.10140	23.1
122.05977	1.1
123.04417	1.4
123.08074	2.2
123.11695	73.7
124.07595	0.6
124.12052	1.2
125.05920	0.6
125.09640	1.8
127.03912	8.4
127.11166	2.7
129.10249	0.7
130.04970	0.7
131.08571	4.5
133.10129	20.4
135.08044	0.7
135.11681	13.9
136.07576	3.1
137.05983	1.8
137.09593	0.8
137.13255	5.4
138.09132	1.5
139.11177	3.8
139.33914	0.5
144.04468	1.4
145.02827	1.2
145.04964	2.4
145.10110	8.8
146.06041	1.2
147.11673	17.9
148.07559	0.7
149.09573	0.8
149.13258	13.0
151.03914	0.6
151.11174	17.2
152.07153	0.7
153.12756	1.7
158.10880	1.0
159.02888	1.6
159.11679	10.9
160.05080	0.6
161.13251	14.6
162.05563	0.9
163.07442	0.7
163.11201	1.1
163.14813	11.1
165.05577	0.5
165.12738	3.4
166.08603	3.1
167.07036	3.7
167.14256	0.9
170.09627	0.6
171.11717	0.9
172.03935	6.5
173.05910	0.8
173.13248	7.0
175.14793	9.9
177.05487	1.5
177.16347	3.5
179.14258	3.0
181.04939	2.6
187.14806	4.8
189.03882	0.7
189.16354	7.7
190.04893	1.2
191.07091	1.3
191.17929	1.6
193.12175	0.6
193.15860	1.0
198.09132	2.6
201.16386	5.5
203.06984	0.7
203.17967	2.2
204.06540	11.1
205.15904	0.9
207.17455	3.9
212.10663	1.1
213.03914	2.6
215.11816	3.0
215.17955	11.2
216.18581	0.6
217.19447	0.7
219.17381	0.8
221.18997	1.2
225.10280	0.7
226.08514	0.7
227.11790	0.9
229.19490	1.6
231.04990	2.9
231.21027	1.5
233.18925	2.6
243.11288	15.4
249.06027	2.0
255.11165	1.6
271.24176	22.2
273.06039	1.5
285.12305	11.3
289.25232	67.7
290.25571	2.4
297.12073	0.5
301.11932	1.2
303.13364	16.3
304.13797	1.1
307.26227	1.5
313.11676	0.8
325.11731	0.9
357.07968	1.1
357.14624	2.7
379.26523	0.8
385.12903	0.9
397.27094	0.7
461.09424	0.8
487.17038	0.6
506.19254	0.6
537.30157	1.9
583.25110	0.8
609.22919	0.7
627.24713	3.3
641.25403	0.8
643.22803	1.0
659.26245	1.1
675.10840	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	820.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.4
57.07078	4.9
61.02922	3.4
65.03940	2.6
67.05500	34.4
69.03430	20.5
69.07069	20.8
70.06593	3.4
70.78911	3.8
70.79245	4.8
71.04993	4.3
71.08668	2.1
77.03909	2.0
79.05490	32.4
81.03420	25.9
81.07052	100.0
83.08604	8.7
85.02902	45.1
87.00840	21.3
91.05473	30.6
93.07038	73.5
95.04958	8.1
95.08604	68.4
97.02882	29.8
97.10197	4.9
99.04465	15.0
105.01875	27.0
105.02518	4.0
105.07035	59.2
107.08585	88.6
109.02871	19.6
109.06530	2.3
109.10153	75.1
117.07010	9.0
119.08577	62.1
121.09326	4.2
121.10145	54.1
123.11718	27.9
127.03907	52.4
127.61114	2.0
129.01854	2.3
129.06996	2.9
131.08601	11.8
133.10118	37.2
135.11673	33.3
137.13243	3.6
143.08568	3.1
145.04948	18.8
145.10127	28.4
147.11685	46.7
149.13242	38.7
149.47821	2.5
157.10100	3.0
159.02898	9.2
159.11700	35.0
161.13255	34.8
163.14803	30.3
167.07047	2.2
173.13211	15.7
175.14795	26.6
177.16386	17.1
187.14856	14.2
189.16365	19.1
191.17862	3.2
194.40768	2.3
201.16400	22.1
203.16287	2.8
203.17940	15.0
213.04041	5.7
215.17947	37.0
229.19571	4.8
231.04967	20.3
231.20900	4.8
235.30009	2.1
243.21014	2.4
249.05971	5.2
271.24191	71.0
289.25162	6.1
595.98798	2.1
736.98041	2.5
775.85321	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	821.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
60.04564	0.4
61.02924	0.6
65.03932	0.6
67.05501	0.9
69.03423	2.1
69.07094	0.4
70.06585	6.1
71.05002	0.5
72.08157	1.3
77.92400	0.4
78.11774	0.4
79.05493	1.4
80.05020	1.2
81.03415	1.1
82.06567	0.6
84.04491	0.9
84.08136	1.4
85.02911	3.1
86.09693	2.4
87.04468	0.5
89.03926	1.0
91.05498	2.2
93.05779	1.1
93.07047	1.4
94.06570	6.7
95.04942	0.5
95.07362	1.5
96.08125	5.4
97.02882	2.0
97.06524	0.4
101.07111	0.5
102.05595	0.5
103.05460	1.1
106.06548	1.7
107.04940	1.0
107.07370	0.7
108.04488	2.3
108.08111	8.8
108.08789	0.7
109.02876	0.5
110.06076	0.5
110.07155	0.8
110.09676	7.5
116.04996	2.2
119.04963	0.6
120.04450	3.0
120.08104	10.0
121.06499	1.8
121.08605	0.4
122.06034	7.0
122.09657	1.1
124.07587	5.1
127.03923	0.7
129.10246	0.8
130.06537	0.4
130.58305	0.5
132.08047	0.7
134.06033	3.1
135.07874	0.5
136.07581	10.5
137.06003	0.8
138.09148	10.0
144.04475	4.5
144.08081	0.4
146.06003	4.7
147.04491	0.5
148.07596	3.7
150.05530	0.5
150.09167	1.0
152.07085	2.5
158.09663	0.9
158.94414	0.5
159.09213	0.5
160.03923	2.6
160.05084	0.4
160.07587	0.9
162.05490	3.9
164.07042	2.1
166.08630	15.6
167.07060	0.5
168.08113	0.5
170.09760	0.5
171.09125	0.4
172.03932	27.2
173.04355	0.5
174.05482	2.9
174.09142	0.5
176.07072	5.9
177.05502	0.7
178.05112	0.5
180.08119	0.6
181.08855	0.6
184.09943	0.6
185.10765	0.8
186.05629	0.6
187.12270	0.6
188.07104	0.6
190.04988	20.1
191.05464	0.6
192.06544	0.6
197.06955	0.7
197.10774	1.3
198.09238	0.5
199.08743	1.4
199.12465	0.5
201.10287	0.8
202.08623	0.7
204.06557	47.0
205.06873	1.0
207.06480	0.5
209.10748	0.8
211.08713	1.5
212.07249	0.7
212.09474	1.8
213.10225	4.3
214.11002	0.9
215.11765	2.5
221.10948	0.4
223.08708	0.7
223.12267	0.9
224.09525	1.3
225.10229	2.9
226.08629	1.6
226.10956	0.7
227.11786	1.9
229.09726	0.7
229.13481	0.5
236.09344	2.0
237.10237	2.8
238.11075	1.5
239.11792	1.7
241.09714	2.6
241.13358	0.7
242.10355	0.8
243.11290	11.7
244.11488	0.4
245.12885	0.7
249.10300	1.5
250.11003	0.6
251.08047	1.1
251.11914	2.0
252.08807	0.7
253.09807	2.4
253.13260	0.4
254.10503	0.5
255.11357	2.7
256.12054	1.2
257.09140	0.9
257.12820	1.5
259.09924	0.9
261.10330	0.6
263.08228	1.3
263.11850	0.8
264.08960	3.1
265.09805	2.4
266.10437	1.3
267.11304	1.8
269.09280	3.4
269.12900	1.2
270.10425	0.7
271.10822	2.3
271.14160	0.4
273.12292	5.5
273.14880	0.5
274.13199	0.8
277.09698	1.2
278.10513	1.0
279.11319	4.4
281.09387	0.6
281.12912	1.2
283.10773	5.2
284.11682	1.5
285.09186	1.1
285.12320	15.0
287.10260	7.5
290.13229	0.5
293.12558	0.4
294.09979	0.8
295.10931	0.9
296.11728	0.8
297.12320	6.8
298.13336	0.7
299.10422	1.4
299.13931	3.8
300.11368	0.5
300.14941	1.1
301.11789	2.8
302.12936	1.6
303.13391	21.4
304.14285	1.2
305.09296	0.5
307.10709	2.0
309.12411	1.2
311.10349	0.8
311.13910	0.6
313.11899	1.8
313.15875	0.7
314.13300	0.6
314.16617	1.6
315.13855	0.8
316.10962	1.4
316.14474	1.1
317.15298	1.1
318.16071	1.1
323.10178	5.1
325.11835	18.9
326.12677	1.5
327.13730	2.4
328.14609	1.0
329.11578	1.0
329.15231	1.0
330.12341	3.3
331.13284	0.7
332.14011	0.6
332.17593	0.7
333.14786	0.7
334.09076	0.7
339.13739	0.9
340.14609	0.9
342.12552	0.9
342.16260	0.8
343.12875	6.5
344.13907	2.4
345.14975	0.9
346.15619	2.6
347.16458	1.4
353.11539	0.7
354.12637	0.5
355.13297	0.6
356.10156	0.7
356.14078	1.3
357.14508	17.6
358.11887	1.3
358.15549	5.4
359.16446	0.5
360.17075	0.8
361.14349	0.6
362.14932	0.5
368.14026	1.0
370.11536	2.1
370.15771	1.0
371.12509	3.0
372.13342	4.3
372.17184	0.6
373.14093	2.5
374.14780	3.0
376.16620	0.9
381.10983	0.6
382.15494	0.7
384.13062	0.7
384.17526	0.8
385.14212	2.5
386.15024	10.3
387.15781	4.2
388.12506	0.7
388.16681	1.1
390.18219	1.0
392.16235	1.2
394.17505	0.8
398.15012	0.5
399.15948	0.6
400.12363	0.9
400.16760	1.6
401.13760	1.6
402.13565	2.0
402.19125	2.0
403.15402	1.1
404.16080	5.2
406.17584	3.0
410.15140	0.6
412.17056	0.6
414.14459	10.8
414.19617	0.7
415.15271	23.4
416.16043	2.7
417.16803	1.0
418.17676	1.8
420.15536	4.6
428.16061	2.2
429.16644	0.6
430.17944	3.6
431.15518	0.8
432.15509	14.6
433.16037	0.6
438.15970	1.4
444.15363	2.0
446.17010	3.9
456.15524	4.9
462.16647	8.2
463.17117	0.8
464.18100	0.9
474.16605	27.2
475.16852	0.8
476.17944	0.7
487.17075	6.1
488.17865	1.3
494.19312	2.2
506.19284	9.4
507.19785	0.6
519.19995	1.0
555.26294	0.5
557.23962	0.9
567.22418	0.7
581.24213	1.9
583.25726	1.6
585.23761	4.3
591.22278	0.8
599.24823	1.7
609.23462	5.7
627.24457	100.0
628.24707	5.2
636.21826	0.5
641.25397	0.9
659.27069	16.5
660.27466	0.8
753.27228	0.5
761.29144	0.5
789.29755	13.1
820.93170	0.6
821.30957	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	813.4899
Annotation	Glabrin C
Peak:m/z	Relative Intensity
71.58876	3.0
85.17676	3.0
137.22083	2.4
146.97783	2.4
215.24557	2.4
218.54936	2.4
222.84970	2.5
389.35440	2.7
441.11777	2.8
685.19910	2.9
752.70087	3.0
813.49121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.8
57.07068	3.0
61.02927	5.2
65.03936	3.0
66.04716	0.6
67.05499	39.2
68.05841	0.5
68.99792	2.9
69.03425	31.4
69.06682	1.0
69.07063	18.4
69.48232	0.5
70.06581	0.5
71.01363	0.8
71.04987	4.0
71.08637	1.2
73.02904	5.2
75.73055	0.5
77.03899	1.3
79.05485	31.8
80.05824	0.8
81.03413	33.8
81.07048	100.0
82.07399	1.4
83.04997	2.8
83.08609	8.5
85.02898	65.5
86.09671	0.6
87.00819	26.9
91.03944	1.9
91.05473	32.6
91.67985	0.5
93.07035	72.4
94.07362	0.9
95.04962	7.1
95.08599	77.0
95.37118	0.6
96.08944	1.0
97.02885	28.7
97.06513	1.5
97.10158	4.9
98.21509	1.2
99.04447	13.9
101.02374	0.8
103.03927	1.7
103.05450	2.0
105.01855	26.0
105.04517	1.8
105.07021	60.2
107.08583	88.6
108.04475	1.2
108.08905	1.0
108.13945	0.5
109.02872	34.9
109.06525	2.7
109.10147	64.0
110.10465	0.8
111.04388	1.2
111.08090	0.8
111.11704	2.7
115.03938	2.2
115.05462	0.7
117.01836	3.9
117.07001	6.5
119.08571	64.7
120.08890	0.8
121.06493	1.0
121.10133	54.0
122.10445	0.6
123.04429	0.9
123.08100	0.6
123.11696	22.4
126.05463	0.6
127.03905	57.4
128.06252	0.9
129.01828	4.1
129.06935	1.2
130.07729	0.8
131.08559	12.8
133.10120	29.5
134.10561	0.6
135.11679	29.2
137.05858	0.7
137.13237	3.7
140.07332	0.5
141.05537	0.6
142.07729	0.6
143.08556	1.5
144.09319	2.1
145.04944	18.6
145.10107	20.0
146.10785	1.0
147.02873	3.5
147.11679	30.5
148.12068	0.9
149.05998	0.6
149.13243	32.6
157.10135	2.8
158.10880	0.8
159.02890	16.4
159.11679	29.8
160.12325	1.2
161.13239	30.2
162.13510	0.7
163.11201	0.7
163.14818	24.5
164.15210	0.9
169.05029	0.6
171.02939	0.8
171.11652	2.0
173.13248	14.1
174.13538	0.7
175.14801	19.6
176.15184	0.7
177.03821	0.6
177.14824	0.8
177.16356	12.5
179.14252	0.7
183.11708	0.9
185.13248	1.2
187.14801	9.4
189.03893	2.3
189.16370	13.0
191.17931	3.4
197.13358	0.7
199.14760	1.4
201.16362	16.4
202.16956	0.7
203.17932	12.9
204.18393	0.8
213.03889	7.0
213.16344	2.4
215.17941	32.9
216.18456	1.2
217.19453	0.9
221.18925	0.6
227.17986	0.7
229.19511	4.3
231.04977	15.3
231.20932	1.4
243.21121	1.3
248.07506	0.6
249.06044	3.6
255.21024	0.6
257.22549	0.6
269.22571	1.4
271.07986	0.6
271.24185	44.7
272.24469	1.3
273.06085	3.1
273.25909	0.7
284.09634	0.8
289.25284	4.3
293.22406	0.8
339.06921	1.0
357.08054	0.7
397.27475	0.6
461.09009	2.2
501.28671	0.6
547.64935	0.6
554.33026	2.4
586.96405	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	812.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06608	0.4
60.08162	5.6
65.32917	0.3
67.05503	0.4
71.07364	3.8
71.51942	0.3
75.21617	0.3
86.09699	31.0
87.10050	0.3
93.80973	0.3
95.08582	0.3
98.98458	3.6
104.10732	2.7
124.99991	19.6
131.14958	0.3
137.06001	0.5
143.01022	0.3
156.70065	0.3
184.07327	100.0
185.07742	0.7
194.46332	0.3
215.41908	0.3
233.96320	0.3
266.03101	0.3
518.31982	0.4
552.47223	0.3
749.02881	0.4
794.49377	0.5
799.35693	0.3
812.50714	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	807.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
61.02930	1.3
65.03944	0.5
67.05493	1.5
69.03429	4.8
70.06580	0.8
70.86979	1.8
71.04966	0.8
73.02901	1.3
77.85910	0.6
79.05499	2.3
80.05007	1.2
81.03416	2.1
81.07057	1.2
82.06577	1.6
84.04523	0.7
85.02885	4.8
86.09715	1.5
91.05483	2.5
93.05759	0.8
93.07005	3.0
94.06556	7.4
95.04981	0.8
95.07353	2.4
95.08580	0.6
96.04529	0.8
96.08124	7.1
97.02892	3.6
97.06542	0.8
99.04459	1.1
103.05491	1.2
106.06562	2.3
107.07306	2.8
108.04424	0.7
108.08114	16.4
108.20930	0.7
109.02887	1.4
109.08897	0.8
110.06021	1.2
110.09676	11.0
116.04995	1.6
118.06549	1.1
120.04462	3.6
120.08103	12.4
121.08885	0.8
122.06011	10.8
122.09663	4.8
124.07582	7.5
127.03870	0.9
132.08096	1.8
134.06007	3.0
134.09630	1.2
136.07571	28.0
137.08365	0.8
138.05510	1.1
138.09140	22.3
144.04427	4.1
146.05981	7.8
146.09602	0.7
148.07570	17.1
148.08714	1.0
149.08136	0.7
150.05475	0.7
150.09129	12.5
152.07059	28.8
154.08617	0.7
160.03932	2.0
160.07619	1.7
162.05484	3.3
162.09059	1.0
164.07057	8.4
164.08253	0.9
165.07932	0.6
166.08636	45.1
167.07014	1.2
167.09158	1.3
168.08218	0.6
170.09692	0.6
172.03931	29.2
173.04355	0.9
174.05548	2.7
174.09195	2.2
176.07047	3.0
180.10168	0.9
182.08165	3.4
182.09595	0.6
183.09154	0.7
184.09874	0.8
186.09235	0.9
190.04970	16.6
191.66689	0.6
192.06723	0.8
192.10098	0.9
194.08089	0.9
196.11343	0.7
197.10767	2.3
198.11493	3.6
199.12302	1.5
204.06554	41.4
205.06963	0.6
206.08237	0.9
208.09784	0.6
209.10828	1.6
210.09731	1.0
210.11501	4.7
211.08897	0.8
211.12314	6.1
212.09308	0.8
212.13004	3.2
213.10226	1.7
213.13960	1.3
215.11804	0.7
218.08234	1.6
220.09958	0.7
221.10788	1.4
222.07773	0.6
223.08812	1.1
223.12288	6.4
224.09462	1.9
224.13115	1.6
225.10252	8.0
225.13866	2.2
226.10930	6.0
227.11778	5.1
227.15477	1.0
229.09787	1.2
229.13448	1.7
235.08638	2.9
235.12283	2.0
236.09503	2.4
236.13065	1.0
237.10201	8.7
237.13881	1.7
238.10942	8.1
239.08131	1.1
239.11774	12.4
240.12560	1.5
241.09766	1.2
241.13458	2.2
243.11420	1.1
245.12914	0.9
246.07722	1.4
246.11156	0.6
248.09410	2.1
249.10222	6.0
250.10960	6.4
251.08015	1.1
251.11783	19.0
252.09044	2.1
252.12540	4.0
253.09792	3.0
253.13341	6.3
255.11243	6.4
256.12036	3.7
257.12836	1.7
259.14465	1.6
261.10263	0.7
262.11145	3.0
263.08154	1.6
263.11789	18.2
264.08896	3.5
264.12521	5.1
265.09769	8.0
265.13394	10.1
266.10461	5.7
266.13193	0.7
266.14041	0.6
267.08423	1.3
267.11264	21.9
268.12067	2.4
269.12851	6.6
271.10870	3.2
271.14484	5.3
273.12393	3.9
275.11816	1.6
276.08792	0.8
277.09772	3.6
277.13345	2.1
278.10541	3.5
279.11267	33.0
280.11942	7.1
281.09726	0.8
281.12817	12.2
282.10153	1.8
282.13611	2.0
283.10815	6.1
283.14404	2.2
284.11511	11.7
285.12329	41.7
286.12732	1.3
287.14059	2.9
289.15558	2.3
291.11285	15.6
292.11984	5.1
293.09262	3.2
293.12888	15.4
294.13513	1.0
295.10898	3.6
295.14322	1.3
296.11517	5.7
297.12326	51.5
298.12726	3.9
299.13937	6.4
302.16580	0.6
305.09225	0.9
307.10822	3.5
308.11572	0.9
309.12311	21.9
310.13046	3.7
311.10294	5.0
311.13974	6.7
312.11133	1.1
312.14526	0.7
313.11801	2.5
315.13754	1.0
316.14520	1.4
319.10724	9.6
320.11340	0.8
321.12363	13.2
322.13104	1.3
323.10294	12.8
323.13873	1.3
324.10895	1.5
325.11795	20.9
326.12524	2.2
327.13385	13.6
328.14090	1.8
329.14944	0.8
330.16064	1.7
334.09271	0.6
337.11801	51.5
338.12451	3.5
339.13385	8.0
340.14267	1.1
341.11365	2.3
341.14856	1.1
342.16043	1.2
343.12842	3.5
343.16800	0.7
344.14005	1.3
344.17740	1.3
345.15018	0.7
346.19202	0.7
351.13394	1.5
355.12927	3.1
356.13855	1.9
357.14450	13.2
358.15353	2.3
359.16003	2.6
360.17084	0.9
362.18781	0.9
367.13049	1.3
369.14450	6.4
370.15646	1.4
371.16013	3.0
372.17010	1.9
373.13803	3.5
374.18781	1.2
376.20361	1.2
384.17264	1.3
385.14072	1.6
386.14572	1.3
386.18912	1.2
387.15643	0.9
388.16220	1.0
388.20587	0.8
390.18146	2.2
392.19641	1.5
399.15582	0.9
400.16193	2.8
401.17313	1.5
402.18295	2.4
404.20099	3.5
406.17300	1.1
412.16562	2.5
414.18240	1.4
418.17630	2.1
418.22040	0.9
420.19098	1.9
421.19922	1.5
422.20639	2.4
424.16684	1.4
428.19772	0.8
430.17606	7.9
431.18567	1.3
432.19250	6.5
433.19608	1.1
436.18683	1.8
442.17566	3.4
444.19321	2.0
446.21103	4.4
448.18637	25.4
449.19418	13.6
450.20212	13.0
460.18655	15.7
461.19122	2.8
462.20157	4.7
463.20993	1.3
472.18643	2.5
474.20145	4.5
476.18036	6.4
477.18979	8.1
478.19659	6.4
480.21268	3.6
487.17188	4.6
488.17856	0.8
489.18613	1.3
490.19739	30.9
491.20480	4.2
492.21329	8.7
493.22174	0.7
506.22891	2.0
522.22345	20.0
523.23071	3.3
544.20587	0.7
566.25500	0.8
567.25983	1.9
571.25177	0.8
585.27063	1.1
594.24457	2.4
595.25464	10.2
608.26459	1.2
611.24805	3.0
612.25494	5.3
613.26526	100.0
614.26935	7.4
625.26050	0.9
634.23529	2.0
636.25580	1.5
640.23627	0.8
645.29285	13.2
646.29303	1.1
652.24927	15.9
653.25732	9.7
654.26300	4.9
684.27539	13.0
685.28394	5.8
739.29834	0.8
757.30792	1.6
775.31702	24.2
776.31561	2.1
807.33899	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	805.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.7
65.03947	0.9
69.03428	2.8
69.07046	0.5
70.06582	7.8
71.03511	1.3
71.05004	0.6
71.06908	0.6
72.08150	1.4
73.02931	0.6
79.05470	2.5
80.05016	0.9
81.03413	1.7
81.05807	0.6
81.07058	0.5
82.06573	1.2
83.08643	0.5
84.04510	1.3
84.08138	1.2
85.02885	4.2
86.09699	5.1
89.03916	1.0
91.05460	3.8
92.05000	0.6
93.05790	1.1
93.07041	3.4
94.06564	5.9
95.04966	1.9
95.07334	1.6
96.08117	5.6
97.02893	2.1
103.05499	2.9
103.06062	0.5
105.07034	0.6
106.06570	1.6
107.04920	1.3
107.07310	0.7
108.04472	2.3
108.08118	9.0
109.02908	0.7
110.06068	0.7
110.09666	7.2
115.05463	0.9
116.04975	1.6
118.06535	1.2
119.04915	0.9
120.04452	4.1
120.08097	8.3
121.06494	16.0
122.06026	5.7
122.09657	1.4
124.07565	5.7
127.03902	0.8
127.08779	0.5
129.10263	0.8
130.05020	0.8
131.04922	0.8
132.04391	0.7
133.06456	0.8
134.06004	3.1
136.07574	12.9
137.05971	4.8
138.09123	11.5
144.04425	5.0
145.02835	1.0
145.05310	0.7
145.06490	1.5
146.05984	6.7
147.04436	0.9
148.07527	3.3
150.09100	1.0
152.07082	3.8
155.08186	0.9
160.03976	3.2
160.05124	0.9
161.05994	0.7
162.05473	3.9
163.07591	0.6
164.07047	2.4
166.08621	14.7
167.07088	4.6
171.47008	0.5
172.03915	27.0
172.07556	1.3
173.05960	1.2
174.05481	2.9
175.07619	1.0
176.07079	2.8
177.05461	1.9
178.05003	0.7
181.05029	1.9
182.09673	0.8
183.09271	0.6
183.15007	1.9
184.09970	1.0
184.15230	0.5
186.03090	0.6
186.05496	0.6
186.09189	0.6
189.05533	1.1
190.04967	16.7
191.07060	1.0
193.08629	0.8
195.09207	0.7
196.09811	0.7
197.10783	2.1
199.08710	0.7
199.12364	2.2
200.10796	0.6
201.05418	5.6
204.06548	48.5
205.06854	1.0
206.08293	0.7
207.06497	1.2
209.10756	1.5
210.09149	1.4
211.08643	3.2
211.14331	0.9
212.09457	2.2
213.10272	0.9
223.08769	0.8
223.12250	1.2
224.09480	1.4
225.06783	0.6
225.10185	8.4
226.08812	0.6
226.11172	1.7
227.11772	13.3
235.08768	0.8
236.09488	1.8
237.10475	3.3
238.11002	1.5
239.11752	4.0
241.09822	1.2
241.13405	1.1
243.11270	0.8
244.13010	0.8
245.12979	0.7
247.08232	0.5
249.10225	2.5
250.10997	1.0
251.11819	4.0
252.08911	1.1
253.09711	5.2
253.12125	0.5
253.13461	0.9
255.11288	2.0
263.08304	1.2
263.11960	1.4
264.08823	3.2
265.09811	2.5
267.11154	2.9
268.16592	0.7
269.09698	0.5
269.12820	14.4
269.15579	0.9
271.10760	9.3
272.12863	1.1
273.12277	4.0
277.09738	2.8
279.11279	6.2
280.12000	0.7
281.09186	1.0
281.12943	0.9
283.10718	5.2
284.11465	4.8
285.12320	5.0
286.13235	1.5
287.13876	15.1
291.06561	1.4
291.11276	0.9
293.08820	0.9
294.09872	0.7
295.10812	2.0
296.12326	0.6
297.12341	8.4
299.13989	4.6
300.11615	0.9
302.13156	1.0
305.09378	0.9
307.10681	2.3
309.12460	1.2
310.13538	0.5
312.15076	1.5
313.12607	1.2
314.12930	2.3
315.13724	1.0
316.10904	1.5
316.14471	1.3
319.10788	0.7
321.08801	0.7
321.12253	0.9
323.10208	7.4
324.11530	0.6
325.11777	19.6
326.13190	0.9
326.16608	1.9
327.13541	3.1
327.17261	1.2
328.10864	2.3
328.14130	2.7
329.11673	0.8
329.15079	2.5
330.12485	1.1
330.16034	1.8
331.16895	1.7
338.13452	1.2
339.14020	0.9
340.14655	0.9
341.12018	1.7
342.12347	7.4
342.16156	1.1
343.12869	8.2
344.13901	1.3
344.17603	1.0
345.14737	0.6
351.08615	0.8
353.12683	0.6
354.13190	2.1
354.16797	0.7
355.13043	2.4
356.13931	5.4
356.17282	0.6
357.14432	20.8
358.15247	4.6
364.11969	1.3
365.11154	1.5
366.15924	0.8
367.13379	1.1
368.14032	0.7
369.15112	0.8
370.11816	1.2
370.15585	5.4
371.16281	1.5
372.17090	1.3
378.18109	1.1
380.14069	0.9
381.13556	0.6
382.11630	4.2
383.12424	2.6
384.13101	4.1
385.13870	2.7
386.14838	2.0
386.19086	2.5
388.16638	0.9
390.18231	3.0
394.15671	1.5
395.14490	0.5
396.17520	0.7
397.15225	1.0
398.14966	19.7
399.15747	26.9
400.16800	3.8
401.13730	1.0
402.18265	1.4
404.15887	5.7
412.16666	2.2
414.18188	5.8
416.16034	17.9
417.15939	1.5
422.17026	2.4
423.14136	0.6
428.15851	3.2
430.17175	3.1
431.18896	0.8
440.15982	6.5
441.14810	1.0
446.17020	10.1
447.17493	0.6
448.18707	1.0
458.17065	30.1
459.17465	1.7
460.17697	2.8
462.19070	5.1
469.15622	0.6
478.19653	2.6
487.17148	7.4
488.17142	4.0
489.18015	0.9
490.19635	10.8
516.18964	0.6
520.20972	0.7
522.22479	1.0
539.26532	0.8
551.22974	1.4
565.24597	1.6
567.26019	1.6
569.23981	3.9
583.25568	1.8
593.23755	6.7
611.24945	100.0
612.25250	4.3
625.25787	1.8
626.25012	1.5
643.27466	15.0
644.27997	0.7
727.29663	0.7
737.27789	0.6
745.30725	0.9
773.30225	17.6
774.30292	0.9
805.31152	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	805.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.4
67.05493	1.7
69.03423	2.4
69.07046	1.0
69.88483	4.7
70.06599	6.8
79.05453	1.3
81.07034	1.7
84.04495	1.3
84.08141	2.3
85.02896	1.9
86.09691	3.1
88.03973	1.0
91.05474	1.9
93.07015	1.8
94.06566	2.8
95.04960	1.9
95.07324	1.8
96.08125	3.8
97.02892	1.9
97.06533	0.9
103.05451	1.8
105.07024	1.2
108.08114	5.3
110.09686	7.0
119.04881	0.9
120.08119	8.4
121.06522	1.7
121.10137	1.0
122.06034	4.4
124.07578	1.4
127.03873	1.1
129.10132	1.1
131.04927	2.1
136.07564	7.7
137.05978	3.1
138.09131	9.8
145.02829	1.6
145.06537	1.0
145.10001	1.2
147.04425	1.0
147.53500	0.8
148.07570	2.9
149.06042	0.9
150.09094	2.2
151.07571	1.5
152.07065	1.9
163.03897	1.0
163.07559	1.6
164.07132	1.3
166.07433	1.4
166.08662	14.4
167.07014	6.5
172.03941	2.1
173.05948	1.6
177.05487	1.3
181.04965	5.1
191.07004	1.3
204.06544	4.9
225.10226	1.8
233.08215	1.2
235.08623	2.4
236.09479	1.4
237.10258	8.1
238.10938	2.7
239.11752	4.1
247.08488	2.4
248.09451	3.2
249.10249	8.8
250.11057	9.8
251.11745	9.8
252.12419	1.9
253.09630	1.9
253.13402	1.3
261.10129	4.1
262.11026	4.7
263.11789	29.7
264.08948	1.3
264.12476	3.0
265.09683	3.7
265.13284	3.3
266.10583	1.2
267.11145	1.8
277.09665	4.9
278.10538	2.4
279.11298	21.4
281.12802	3.3
282.09888	1.6
283.10712	1.6
287.05426	1.0
287.13892	1.5
289.09711	2.8
290.10406	1.2
291.11240	15.9
292.11917	3.0
293.09622	1.1
293.12784	5.0
295.10733	3.1
296.11301	2.1
297.07678	0.8
297.12418	4.9
307.10764	8.0
307.13885	1.3
309.12265	11.8
311.13748	2.8
317.09274	1.1
318.83978	1.0
319.10760	5.7
321.12195	1.8
323.10199	2.2
323.13928	3.8
325.11865	5.7
328.14246	1.3
335.10162	4.2
336.10989	2.7
337.11810	31.4
337.15881	1.7
338.12186	1.7
339.13538	1.5
341.11703	0.9
355.12906	12.0
356.13644	3.1
356.17606	1.7
357.14438	21.9
358.15036	1.4
367.12891	13.1
368.13541	3.8
369.14417	17.6
369.18985	1.0
370.15240	2.3
384.13239	1.0
386.10214	1.1
387.14523	0.9
398.14676	1.6
399.15723	1.8
400.16251	1.3
402.17914	1.2
403.18884	4.2
416.15536	1.0
417.15482	2.0
428.15976	1.1
440.16190	1.0
442.17670	1.0
444.19186	1.6
458.16840	2.1
466.68207	1.0
476.21576	1.0
478.19260	1.5
488.18246	2.1
490.19565	11.5
492.21097	2.0
494.23026	1.6
502.19327	2.6
503.19910	1.0
504.20853	2.4
520.20856	39.0
521.21271	7.8
522.22357	100.0
523.22308	3.9
611.24982	7.3
625.26050	1.5
643.27478	9.6
644.28540	1.0
652.24658	2.1
682.26385	4.2
683.26447	3.4
684.27527	15.3
733.45135	1.1
773.29456	1.6
805.30774	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	805.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01560	0.4
57.03426	0.5
61.02925	1.2
65.03931	0.6
66.76739	0.4
67.05503	0.6
69.03435	2.3
70.06579	3.3
71.05023	0.5
71.51939	0.6
71.72130	0.5
72.08141	0.9
79.05498	1.2
80.05038	0.7
81.03417	1.4
82.06598	0.8
84.04464	0.5
84.08145	1.1
85.02898	3.3
86.09706	2.0
89.03935	0.6
91.05482	1.5
93.05769	0.8
93.07058	1.8
94.06561	4.7
95.04971	0.9
95.07344	1.6
96.08131	4.2
97.02901	1.5
103.05467	0.8
105.07040	0.6
106.06564	1.2
107.04946	0.6
107.07332	1.0
108.04503	2.7
108.08119	8.1
109.02908	0.7
110.06070	0.6
110.09692	6.2
115.05437	0.7
116.04987	1.3
118.06568	0.9
120.04469	2.8
120.08113	7.0
122.06025	5.7
122.09676	1.3
123.04465	0.6
124.07594	4.7
127.03944	0.5
129.10188	0.5
132.08138	0.6
133.55608	0.5
134.06021	2.3
136.07578	8.0
137.06017	0.8
138.09134	10.8
144.04433	5.3
145.02855	0.7
146.05994	7.1
148.07561	4.1
150.09167	1.6
152.07091	1.8
158.09674	0.7
160.03934	3.5
162.05453	3.5
164.07100	1.5
166.08635	15.4
166.09967	0.9
167.07066	5.3
170.60263	0.5
172.03926	26.8
172.07582	1.0
173.05969	0.6
174.05455	2.3
176.07120	2.6
177.05373	0.7
178.04968	0.6
181.04921	3.0
184.09985	0.6
186.05438	0.8
190.04970	17.1
191.07074	0.6
194.09569	0.6
197.10750	2.0
199.08698	0.7
199.12280	2.3
204.06555	49.1
205.06943	1.0
209.10756	1.2
210.09331	1.3
210.11546	0.6
211.08589	2.9
212.09503	1.6
213.10312	1.3
223.08717	0.6
223.12228	1.2
224.09515	1.7
225.10231	9.2
226.10974	0.9
227.11798	12.8
227.13980	0.9
231.70985	0.5
235.08701	0.9
236.09488	2.2
237.10164	2.3
238.11031	1.3
239.11768	4.0
241.09773	1.6
241.13390	1.5
243.11359	0.6
245.12796	0.7
248.09616	0.6
249.10304	2.1
250.10999	0.8
251.08090	0.9
251.11806	3.3
253.09737	5.7
255.11351	1.7
263.08231	0.8
263.11942	0.6
264.08820	3.1
265.09711	1.9
266.10587	1.4
267.11237	2.7
268.08374	0.5
269.12830	14.3
269.15549	0.9
270.13068	0.6
271.10754	8.7
271.13538	0.8
273.12323	3.3
277.09741	2.1
278.10333	1.0
279.11255	3.9
280.11929	0.7
281.09229	1.4
281.12872	1.9
283.10751	6.4
284.11520	4.5
285.12341	4.2
286.13092	0.9
287.13919	13.5
291.11542	0.8
294.10059	0.6
295.10886	2.1
297.12357	9.6
299.14157	3.2
300.11752	0.6
301.12219	0.7
302.13058	0.6
307.10855	1.8
309.12347	1.7
311.10422	0.8
311.14209	0.9
312.15134	0.9
313.12778	0.7
314.13110	1.8
315.13666	1.2
316.10992	1.1
316.14435	2.2
317.15234	0.9
321.12332	0.8
323.10205	6.6
323.13602	0.7
324.10852	1.0
325.11829	16.6
326.12811	0.8
326.16498	1.2
327.13583	3.5
327.17203	1.2
328.10825	2.2
328.14563	2.0
328.75482	0.5
329.11597	0.8
329.14911	2.5
330.12540	0.8
330.16061	2.1
331.16876	2.3
337.12073	0.7
339.13657	1.4
340.14621	1.4
341.11618	1.3
342.12378	6.1
342.15909	0.9
343.12982	7.0
343.16730	0.7
344.14005	0.6
344.17538	0.8
352.14508	0.8
354.12427	0.7
354.16260	0.6
355.13260	2.5
356.13956	6.3
357.14450	23.3
358.15417	5.4
365.11337	1.5
366.16113	0.8
367.12918	1.1
368.13974	1.1
369.15244	0.8
370.11575	1.0
370.15494	4.3
371.16171	1.9
372.17026	1.7
378.18079	1.7
380.13876	1.1
382.11700	2.7
383.12634	2.2
384.13174	4.4
384.17105	1.0
385.13779	2.4
385.59567	0.6
386.14908	1.9
386.19302	2.9
387.15930	0.6
388.16290	0.9
390.18115	2.9
394.15149	1.1
397.15060	0.8
398.14957	19.2
398.20114	1.0
399.15750	28.2
400.16458	2.8
401.13504	0.9
402.18228	1.0
403.14816	0.6
404.16019	5.4
412.16760	2.8
413.17035	0.7
414.18161	4.3
415.15359	0.6
416.16061	17.0
417.15921	3.1
422.17273	2.6
428.15924	3.6
430.17664	3.5
440.16098	6.7
441.16437	0.9
446.17126	9.9
448.18689	1.2
458.17108	26.8
459.17413	1.6
460.19089	0.6
478.19760	1.7
487.17105	7.7
490.19696	10.5
519.19781	0.8
523.23645	0.6
539.26416	0.8
541.24347	1.1
551.22699	0.8
565.24463	1.7
567.26111	1.6
569.23871	3.2
583.25494	1.5
593.24042	5.4
611.24969	100.0
612.25122	5.6
625.26202	0.8
643.27649	15.8
737.28259	1.1
745.30078	0.8
755.29510	1.0
773.30194	24.9
774.30066	1.7
805.33270	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	805.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.5
65.03934	1.7
65.23840	0.3
67.05488	1.2
69.03419	2.5
69.35207	3.4
70.06570	1.9
74.57979	0.4
77.03977	0.4
79.05485	1.8
80.05006	0.6
81.03423	0.7
81.07027	0.4
82.06580	0.5
83.04986	0.4
84.08109	0.8
85.02903	3.0
86.09705	1.1
89.03912	0.8
91.05490	1.5
92.04989	0.6
93.05764	0.8
93.07043	1.5
94.06558	4.3
95.04996	0.5
95.07344	2.0
95.08605	0.4
96.08134	4.6
97.02894	1.6
99.04482	0.4
103.05466	0.7
106.06538	1.8
107.04953	0.5
107.07322	1.2
108.04474	2.2
108.08110	9.9
109.02879	0.8
110.07150	0.4
110.09679	7.4
116.04990	1.8
118.06541	0.8
120.04471	3.3
120.08099	7.2
121.06493	0.4
122.06018	5.5
122.09690	0.6
124.07587	5.4
127.03968	0.5
132.08086	0.5
134.05962	2.2
136.07565	9.6
137.06010	0.5
138.05501	0.7
138.09129	9.2
144.04430	3.5
144.08121	0.4
146.05997	6.2
148.07564	3.1
150.05531	0.5
150.09163	1.9
152.07111	2.7
154.08629	0.4
159.09174	0.5
160.03946	3.4
162.05475	3.8
164.07082	1.7
166.08636	16.2
167.07048	3.0
170.09685	0.5
172.03917	23.0
172.07669	0.9
173.04434	0.5
174.05492	2.0
176.07036	2.7
177.05466	0.4
178.04933	0.5
179.69337	0.4
181.04961	1.2
182.08217	0.4
182.09669	0.8
183.09120	0.7
184.09970	0.5
185.10754	0.5
186.05513	0.8
186.09142	0.8
188.07079	0.5
190.04974	18.1
191.05424	0.5
192.06627	0.6
195.09233	0.8
196.07597	0.4
196.09827	0.7
197.07158	0.5
197.10748	1.8
198.09285	0.5
199.08646	0.9
199.12375	1.8
204.06551	39.6
205.06918	0.7
209.10803	1.6
210.09189	1.2
210.11438	0.6
211.08719	2.7
211.12299	0.9
212.07187	0.3
212.09480	1.8
213.10246	0.8
215.11633	0.4
221.10805	0.6
222.07660	0.5
223.08774	0.9
223.12419	0.8
224.09489	1.7
225.10207	8.7
226.10995	1.7
227.11784	12.9
235.08665	1.2
236.09377	2.4
237.10294	2.4
238.10954	1.7
239.11775	4.0
241.09709	1.7
241.13423	1.4
243.11339	0.6
245.12912	1.0
248.09483	0.5
249.10316	2.2
250.10971	0.8
251.08066	0.5
251.11755	3.3
253.09674	4.5
253.13425	1.1
254.10483	0.6
255.11296	2.1
257.12933	0.6
261.10471	0.4
262.11133	0.7
263.08173	1.3
263.11743	1.1
264.08871	2.5
265.09814	2.1
266.10641	0.9
267.11346	2.4
269.12830	15.8
271.10736	9.2
273.12366	5.7
277.09650	1.9
278.10455	0.9
279.11227	5.1
280.12033	0.9
281.09201	0.8
281.12924	2.0
282.09982	0.6
283.10779	5.4
284.11472	4.1
285.12289	4.4
286.13239	1.4
287.13882	13.8
289.13043	0.4
291.11221	0.7
293.09305	0.8
293.12793	0.8
294.10074	0.6
295.10898	1.4
297.12344	10.0
299.11221	0.5
299.14005	4.6
300.11658	0.7
302.13290	0.8
305.09326	0.5
307.10715	2.5
309.12421	1.5
310.13742	0.5
311.10458	0.7
311.14212	1.0
312.14981	1.6
313.12643	1.5
314.12906	1.8
315.13693	1.5
316.10861	1.1
316.14438	1.1
319.10730	0.6
321.12485	1.2
322.12924	0.5
323.10217	7.0
323.13797	0.3
325.11786	21.4
326.13071	0.9
326.16714	1.2
327.13617	2.9
327.17401	1.2
328.10846	2.6
328.14545	2.0
329.11703	0.8
329.15253	1.3
330.12549	0.6
330.16016	2.0
331.16806	1.9
334.09515	0.5
335.10257	1.1
337.12094	1.3
338.12662	0.5
339.13797	1.5
340.10910	0.5
340.14719	0.9
341.12067	1.5
341.15939	0.6
342.12335	6.2
342.16147	1.3
343.12958	8.0
343.16733	0.7
344.13831	1.1
350.13284	0.5
352.14319	0.9
353.12381	0.7
354.12589	1.4
354.16397	0.9
355.13599	1.4
356.13925	5.8
356.17764	0.5
357.14471	18.2
358.15439	4.2
359.16144	0.5
362.14957	0.5
365.11465	1.1
366.16196	0.8
367.13443	1.6
368.14011	0.8
369.15482	0.8
370.11621	0.7
370.15576	4.9
371.16431	1.9
372.12915	0.5
372.17105	0.7
374.14529	0.5
374.18777	0.6
378.18152	1.6
380.13983	1.2
382.11771	3.7
383.12418	2.5
384.13379	4.0
384.17453	1.0
385.14035	3.1
386.14337	2.7
386.19312	2.8
387.15646	0.6
388.16687	0.9
390.18100	3.1
394.15543	1.0
395.13873	0.5
396.17465	0.5
397.14819	1.2
398.14954	18.3
399.15750	27.6
400.16486	3.1
401.13278	0.8
402.18311	1.2
404.15927	4.9
412.16672	2.3
414.18243	4.1
416.16022	15.7
417.16031	1.9
422.16858	1.8
428.15970	3.7
429.16434	0.5
430.17560	3.0
440.16028	6.8
441.14908	1.6
446.17047	11.6
458.17090	30.8
459.17569	1.6
460.18991	0.8
469.16058	0.9
472.18958	0.5
478.19403	1.8
479.20392	0.5
487.17087	8.4
488.17447	0.6
490.19635	10.1
491.20117	0.5
519.19904	0.8
520.20978	1.1
522.22089	1.0
523.23163	0.5
541.24463	1.0
551.22626	0.6
565.24554	1.3
567.25922	1.5
569.23920	5.2
575.22845	0.8
583.25696	1.7
593.23987	7.7
594.23334	1.1
611.24976	100.0
612.25305	4.5
620.22278	0.7
625.25458	0.7
626.24725	2.4
643.27502	10.0
650.22626	0.7
729.31262	0.6
731.29266	1.0
745.30829	0.8
755.28986	1.2
773.30182	18.1
774.30798	1.1
788.30676	0.6
805.33099	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	805.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.4
67.05472	1.5
69.03402	2.5
69.07039	0.8
70.06567	2.5
70.84625	1.7
70.84949	0.8
72.08117	0.8
79.05476	1.8
81.03406	2.0
81.07030	1.1
81.75201	0.7
82.40189	0.7
84.08144	0.9
85.02885	3.1
86.09663	2.1
89.03892	0.9
91.05452	1.5
93.07014	1.8
94.06551	3.6
95.04935	1.1
95.07342	1.6
95.08588	1.7
96.08134	4.2
103.05469	0.8
105.07011	0.8
108.04443	1.4
108.08104	6.9
109.02827	1.9
109.10133	1.3
110.09680	6.4
116.04949	2.3
118.06484	0.9
120.04429	2.7
120.08112	7.2
121.06483	1.2
122.06014	6.5
122.09637	0.7
124.07556	2.2
127.03863	1.1
129.01462	0.7
130.06470	1.1
131.04865	0.7
132.04414	0.7
134.05975	2.5
135.04449	0.7
136.07567	8.8
137.05965	1.6
138.09138	9.4
143.07265	1.0
144.04419	7.5
145.02744	0.9
146.05994	5.0
147.04378	0.7
148.07544	3.3
149.82718	0.7
150.09138	0.9
152.07022	1.5
156.08188	0.7
160.03915	2.7
162.05490	4.6
164.07019	1.7
166.07388	1.3
166.08640	14.4
167.06989	3.8
172.03928	46.5
173.04430	0.9
174.05493	1.6
176.07021	2.4
177.05421	1.5
181.04924	1.1
182.09673	1.2
185.10657	0.8
187.08612	0.9
190.04970	12.2
197.10765	1.3
198.09190	0.9
198.11530	0.9
199.08574	0.9
199.12361	1.1
204.06552	97.1
205.06895	1.8
209.08118	0.9
209.10699	1.1
210.09169	1.6
211.08665	2.9
211.12206	0.8
212.09409	1.2
223.08691	0.8
224.01413	0.7
224.09331	0.9
225.10210	7.7
226.10873	1.1
227.11786	12.8
227.59093	0.8
236.09354	1.1
237.10205	2.6
238.11012	1.6
239.11752	3.8
241.09691	2.1
241.13440	1.0
245.12964	0.8
249.10286	1.1
251.11610	1.7
253.09695	3.7
255.11301	1.1
263.08163	1.2
264.08926	2.9
265.09653	2.0
265.85938	0.7
266.10645	0.8
267.11252	2.6
269.12839	10.1
271.10822	7.5
273.12320	2.3
277.09814	2.4
279.11264	2.1
283.10797	5.4
284.11392	3.6
285.12366	4.4
286.13126	1.1
287.13910	20.8
295.10721	2.2
297.12277	6.2
299.13876	3.3
305.08719	0.9
309.12219	0.9
311.10080	1.2
311.13922	0.9
312.15024	1.1
313.12622	1.3
314.12900	2.4
315.13577	1.4
316.10864	0.8
316.14307	1.0
317.15414	1.1
323.10306	6.3
323.27579	0.8
324.62881	0.7
325.11865	9.6
326.16574	1.8
327.13556	2.7
328.10776	2.6
328.14404	1.8
329.15112	2.2
330.15948	1.4
331.16840	1.3
339.13318	1.8
341.11725	1.5
342.12366	5.2
342.15955	1.1
343.12976	5.3
354.16202	0.8
356.13892	5.9
357.14453	45.1
358.15414	5.1
368.13763	0.8
370.11420	1.4
370.15567	3.4
371.16437	1.9
372.17212	1.1
376.16571	1.0
378.18039	1.2
380.14014	1.0
382.11893	3.0
383.12686	2.6
384.13141	3.4
385.13882	1.8
386.14520	1.8
386.18707	3.0
388.16217	0.9
390.18210	2.9
398.14926	17.2
399.15762	25.4
400.16385	2.2
401.13373	0.8
402.18292	2.3
404.15967	6.0
412.16562	1.9
414.18149	3.4
416.15973	15.3
422.17023	1.4
428.16025	2.3
430.17764	2.7
431.17972	0.8
440.15973	5.0
446.17133	7.3
458.17102	24.3
459.17264	1.2
478.19656	2.7
490.19739	13.6
551.22699	0.9
565.23395	1.0
567.25781	0.9
569.24048	3.7
583.25677	1.7
593.24030	4.0
610.23474	1.0
611.24957	100.0
612.25214	3.8
625.26440	1.6
643.27563	49.2
644.27844	1.9
773.30188	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	803.417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	3.5
56.58648	0.7
57.03422	1.2
67.05498	2.9
69.03436	6.0
69.07056	3.3
70.06577	3.5
70.15798	0.8
70.41638	2.7
71.08627	8.1
72.08142	3.3
75.86604	1.0
79.05481	2.8
81.03419	4.6
81.07053	6.5
83.04975	0.8
83.08605	3.0
84.04504	33.2
84.08131	2.5
85.02903	6.5
85.84975	0.9
86.06068	23.7
86.09691	1.2
87.00831	2.1
91.05481	0.9
93.07050	3.5
95.08585	2.6
96.08139	4.0
97.02890	3.7
97.06566	1.9
98.09694	9.1
99.04443	2.3
99.08081	2.7
102.05550	15.7
105.06989	0.8
106.09150	0.8
107.08602	2.2
108.08107	1.1
109.02868	5.6
109.10147	1.5
110.09673	0.8
111.08020	1.0
116.10732	51.7
119.08537	0.9
121.06451	1.1
121.10143	1.6
121.11085	0.8
122.09675	1.8
124.07578	0.8
126.09155	1.5
127.03919	7.9
130.04999	11.8
135.11670	1.0
136.11217	0.9
140.10680	1.4
141.34784	0.8
142.12274	1.2
143.10640	5.0
148.06041	2.4
149.13284	3.9
154.15924	2.7
159.11707	1.1
166.15930	3.6
167.14323	1.6
178.15891	1.5
180.40994	0.9
196.16940	8.4
212.16496	3.9
214.18016	100.0
215.18330	1.5
215.63965	1.0
216.40868	0.8
231.04967	1.1
231.15889	3.6
238.17960	1.3
239.16560	1.1
289.50854	0.8
296.18628	1.7
300.14407	0.9
308.79419	0.9
310.23837	2.9
314.19382	1.0
342.19147	3.0
376.23309	1.2
418.24219	3.2
439.27988	10.4
444.21964	1.0
457.29138	15.0
462.23346	43.8
537.35114	1.1
555.36292	9.8
643.34088	1.6
687.33362	8.4
705.34473	14.3
759.43176	1.4
803.41766	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	805.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
57.62792	0.4
61.02892	0.5
61.67598	0.4
65.03939	0.9
67.05499	1.0
69.03430	1.8
71.00110	0.9
71.04976	0.4
79.05480	1.1
81.03404	1.4
81.07050	0.4
82.06564	1.0
85.02901	3.4
89.03916	0.5
91.05481	1.3
92.04963	0.4
93.05797	0.6
93.07029	1.6
94.06572	4.6
95.07327	1.4
96.08114	3.9
97.02906	1.2
97.06502	0.6
99.04465	0.5
103.05447	0.5
106.06564	1.3
108.04485	2.5
108.08114	7.7
109.08887	0.6
110.09681	6.9
116.04980	1.9
118.06546	0.8
120.04462	3.8
120.08086	6.3
122.06027	4.6
122.09657	1.1
124.07591	4.8
134.05159	0.4
134.05975	2.5
136.07576	8.3
138.05440	0.7
138.09138	8.1
139.09468	0.4
144.04449	4.7
146.06001	5.7
146.07111	0.5
148.07532	3.6
150.05424	0.6
150.09189	1.2
152.07089	2.2
160.03912	2.8
160.07623	0.4
162.05518	2.9
164.07103	1.6
166.08632	14.7
167.07210	0.5
167.08731	0.5
168.88347	0.4
170.09523	0.5
172.03928	24.1
172.07588	0.7
173.04300	0.8
174.05544	2.0
174.09253	0.4
176.07048	2.8
178.05060	0.9
182.09666	0.8
184.10001	0.6
186.05458	0.7
186.09161	0.6
190.04987	16.8
191.05302	0.5
192.06747	0.5
195.09276	0.8
196.09918	0.6
197.07022	0.5
197.10718	2.0
198.07753	0.6
199.08696	0.5
199.12312	1.3
204.06554	41.3
205.06834	0.7
207.09093	0.5
209.10844	0.6
210.09212	1.1
210.11389	0.6
211.08623	3.4
211.12360	0.7
212.09305	1.8
213.10254	1.0
223.08649	1.4
223.12321	1.1
224.09444	1.6
225.10194	9.2
226.11073	1.2
227.11778	12.1
227.13979	0.7
235.08551	0.7
236.07314	0.5
236.09377	2.1
237.10167	2.7
238.10869	2.3
239.11783	4.2
240.12556	0.6
241.09702	2.0
241.13417	1.4
243.11293	0.5
245.12898	0.8
248.09453	0.6
249.10281	1.8
250.11023	0.8
251.08231	0.8
251.11711	2.6
252.08875	0.9
253.09647	5.2
253.13412	0.5
255.11310	1.7
261.10358	0.6
262.08661	0.6
263.08234	1.4
263.11862	0.7
264.08838	3.4
265.09732	2.1
266.10605	1.2
267.08463	0.3
267.11224	2.7
269.12823	14.9
270.10031	0.8
270.13211	0.5
271.10757	8.7
271.13953	0.6
273.12326	3.4
277.09781	1.8
278.10526	0.4
279.11313	4.8
280.12073	0.5
281.09436	0.6
281.12860	1.1
283.10745	5.0
284.11499	4.1
285.12338	5.0
286.13104	1.1
287.13895	14.9
289.13101	0.7
291.11111	0.5
293.09552	0.9
293.12576	0.5
294.10028	0.9
295.10889	1.7
296.11597	0.8
297.12350	8.5
298.13232	0.7
299.11209	0.5
299.13959	4.6
300.12344	0.8
302.12961	0.6
307.10739	2.3
309.12375	1.2
312.15070	1.8
313.12601	1.8
314.12769	2.3
315.13715	1.0
316.10944	0.9
316.14441	1.8
317.15167	0.6
321.08624	0.6
321.12311	0.9
323.10254	6.2
324.11115	0.9
324.15030	0.6
325.11816	17.4
326.12775	1.3
326.16629	1.4
327.13562	3.1
327.17471	1.4
328.11261	2.3
328.13953	2.3
329.11591	0.5
329.15240	1.5
330.12607	0.7
330.16064	1.8
331.16727	1.1
334.09409	0.4
339.13751	1.2
340.10919	0.6
340.14398	1.2
341.11856	1.3
341.15576	0.8
342.12302	6.6
342.15765	0.7
343.12994	7.3
343.16724	0.6
344.13879	1.5
344.17609	0.8
350.00851	0.4
352.14560	1.0
353.12753	0.6
354.12289	0.7
354.16068	1.0
355.13013	1.9
355.17200	0.9
356.13882	5.3
356.17923	0.5
357.14429	20.3
358.15411	4.6
365.11496	0.9
367.13464	0.5
368.14001	0.7
369.15076	0.6
370.11661	0.8
370.15582	5.0
371.16693	0.9
372.17099	1.3
374.18607	0.4
378.18222	1.2
380.13901	1.3
382.11652	3.0
383.12372	2.5
384.13419	5.0
384.17355	1.0
385.13983	2.6
386.14444	2.1
386.19049	2.8
387.15656	0.7
388.16608	1.0
390.17932	3.1
394.15469	1.0
397.14911	0.9
398.14975	17.9
399.15750	27.0
400.16437	3.0
402.18213	1.6
404.15973	5.8
412.16406	2.7
414.18295	3.5
416.16013	16.5
417.16351	1.2
418.17468	0.8
422.17258	2.1
428.16077	2.8
430.17477	3.3
431.18182	0.7
440.15988	7.2
446.17093	9.9
448.18481	0.6
458.17102	28.8
459.17441	0.8
469.16400	1.0
472.18802	0.7
478.19589	1.9
487.17087	8.7
490.19684	10.1
505.18329	0.8
519.20068	0.8
525.24695	0.5
539.26318	0.7
541.24524	0.9
551.23334	0.7
565.24695	1.2
567.25494	0.8
569.23920	4.0
575.22687	0.6
583.25281	2.3
593.23804	5.9
611.24957	100.0
612.25287	4.6
620.22314	1.0
643.27576	15.9
644.28210	0.7
690.55377	0.5
711.30090	0.5
729.31073	0.6
731.28503	0.5
737.28455	0.5
745.30505	1.8
755.29492	1.0
773.30200	24.7
774.30566	1.5
805.32849	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	803.313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	2.9
57.07038	1.8
58.55692	1.5
61.02896	2.4
62.06073	1.5
63.34461	1.7
67.05499	5.2
69.03427	10.6
69.07047	6.0
69.44860	12.7
69.45284	4.2
70.06586	4.5
71.04981	2.3
71.08612	6.6
71.17912	1.5
72.08102	3.8
79.05479	3.5
81.03410	9.4
81.03796	1.5
81.07050	7.5
83.08582	4.6
84.04502	44.9
85.02893	9.3
86.06062	48.7
86.09698	3.9
87.00822	2.2
91.05460	3.6
93.07013	6.1
94.06559	4.3
95.07288	2.0
95.08603	3.4
96.08129	5.8
97.02890	5.3
97.06482	2.0
98.09683	9.4
99.04450	2.4
99.08067	7.9
102.05552	26.5
105.01896	1.7
105.07001	3.1
108.08099	7.5
109.02882	5.4
109.10104	1.5
110.09669	8.7
116.10728	73.0
120.08077	7.6
121.06514	2.4
121.10065	1.6
122.06048	8.6
124.07563	2.0
127.03932	14.2
130.04984	13.5
135.11630	2.3
135.63531	1.5
136.07553	5.7
138.09137	12.4
143.10684	1.7
148.06084	1.9
148.07439	2.2
149.13202	5.1
150.09131	1.9
166.08614	12.4
187.05978	2.1
196.67691	1.8
211.08662	2.7
212.16493	2.5
214.18069	13.9
221.10732	1.9
231.15862	4.8
238.18011	2.4
239.16367	1.7
249.10263	17.1
257.17441	2.2
261.10080	2.1
263.07971	1.9
265.09583	2.2
277.09805	8.0
289.09604	1.9
292.22708	2.6
304.16574	1.7
309.12222	7.5
309.24991	2.0
310.13571	1.8
310.23746	11.4
313.12079	1.7
321.08633	1.5
325.11783	1.5
326.12927	3.7
337.15762	2.0
338.16562	2.9
340.10724	3.5
340.14502	4.4
347.13168	1.9
352.14679	2.7
353.11591	2.4
354.12390	6.4
355.13046	3.0
356.14084	3.3
364.14270	5.2
366.12012	2.5
366.16125	3.9
367.13553	2.9
368.09833	2.5
368.14105	11.9
369.14639	5.9
370.15881	2.0
382.11627	4.8
382.15625	6.1
383.16318	4.0
384.17117	7.8
392.13901	4.4
394.15540	3.3
396.13235	10.4
397.14090	6.1
398.18738	8.3
410.14777	7.1
412.16510	5.5
414.14145	3.5
420.14005	2.8
426.14502	5.3
428.15875	6.7
438.14517	27.6
439.28067	23.4
442.17725	2.8
444.19043	7.0
456.15582	40.4
457.16034	2.8
457.29089	42.5
458.16855	7.2
462.23093	4.7
470.17383	2.5
476.18173	40.8
477.18680	3.0
488.18076	21.2
537.34985	3.3
555.36646	11.0
563.22748	1.9
591.22083	6.5
594.96997	2.2
595.25702	3.8
609.23419	21.9
623.24884	23.7
641.26019	100.0
642.25519	6.3
643.33704	2.7
661.35181	5.6
687.33649	17.3
705.34387	37.1
706.33765	2.0
717.42609	2.6
803.28967	3.2
803.41193	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	803.202
Annotation	Quercetin 3-(2'''-feruloylsophoroside)
Peak:m/z	Relative Intensity
57.03439	0.2
61.02919	0.3
62.01579	0.2
63.02364	0.3
65.03929	0.2
68.99786	0.2
69.03424	9.3
70.06586	0.9
70.78865	0.3
72.08151	0.2
77.03936	0.2
78.04703	0.3
81.03407	0.5
84.04487	0.2
84.08112	0.2
85.02898	0.5
86.09688	0.4
89.03909	4.6
91.05469	0.5
93.07025	0.2
95.04944	0.3
97.02883	1.0
99.04459	0.4
100.92485	0.1
103.05470	0.4
105.03373	0.1
106.04137	0.3
107.04951	0.1
109.02861	0.7
110.07136	0.2
111.00774	0.3
117.03369	16.5
118.03672	0.2
119.04919	0.2
120.08124	0.2
121.02877	0.3
121.06499	0.8
123.04395	0.1
124.05138	0.1
127.03903	3.7
131.04932	0.2
134.03622	1.0
135.04402	1.3
137.02333	1.3
137.05974	0.5
145.02831	48.7
146.03194	0.7
147.04448	0.3
149.02321	0.3
149.05957	6.1
150.06496	0.2
151.03914	0.1
153.01825	1.0
157.06458	0.2
158.05995	0.3
161.05922	0.3
162.03133	0.2
163.03926	0.8
165.01822	0.7
173.05972	0.2
175.03946	0.1
175.07510	0.2
177.05453	100.0
178.05800	1.4
183.02910	0.4
186.05460	1.5
187.03712	0.1
187.07596	0.1
189.05453	0.3
191.03352	0.2
191.07112	0.2
195.06493	1.1
199.07541	0.2
201.05421	1.6
205.04974	0.2
215.06979	0.3
219.02934	0.1
219.06612	0.2
229.04909	1.2
229.08470	0.1
231.06540	0.3
233.08078	0.4
235.07593	0.2
247.05991	0.3
257.04431	1.0
261.07581	1.0
263.06943	0.3
265.08612	0.3
274.04724	0.3
282.08798	0.1
285.03860	0.3
291.08972	0.1
303.04962	34.4
304.05292	0.6
315.05066	0.2
321.09653	6.8
322.09811	0.2
323.09152	0.9
327.05026	0.1
339.10718	15.2
340.11169	0.3
345.05850	0.3
447.14709	0.1
458.15771	0.2
465.10242	2.5
481.73172	0.1
486.15372	0.1
488.16919	0.4
650.21912	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	797.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.5
61.02935	8.8
62.20239	0.9
62.25249	0.9
67.05505	8.1
69.03436	3.8
69.07063	1.5
71.03750	1.5
71.04079	1.2
73.02914	6.0
79.05502	4.0
81.03419	3.3
81.07055	7.5
85.02898	7.7
91.03967	5.9
91.05489	2.3
93.07047	6.1
95.08601	5.4
97.02898	5.8
99.04484	1.0
101.02406	3.2
105.07023	1.8
107.08607	2.8
109.10162	2.6
117.07082	1.0
119.08573	1.5
121.10166	3.1
127.03941	3.3
133.10091	1.6
138.48808	1.0
184.07365	1.5
197.24384	1.1
232.04451	1.0
243.08347	2.4
259.25125	0.9
263.93036	1.0
335.26157	1.1
347.32135	1.1
446.63742	1.0
519.29236	16.0
519.36292	1.5
548.92267	1.0
598.03992	1.2
797.51660	100.0
798.51630	4.9
820.95563	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	794.338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27735	0.8
57.07074	7.9
58.06594	2.6
65.03941	7.6
66.75449	0.7
69.03424	1.1
69.81638	0.9
70.06594	25.9
70.44831	2.0
70.45224	2.1
71.08638	4.6
74.06087	1.1
80.45596	0.9
84.08172	1.2
86.09712	1.7
88.07629	31.7
91.05527	0.9
95.04961	1.0
96.35674	0.8
102.09182	17.7
102.09816	1.6
105.03453	0.9
108.66502	0.9
121.02882	2.9
123.86888	1.0
131.05005	0.9
132.02196	1.0
139.03926	3.4
147.04378	1.0
149.02344	100.0
149.03377	6.1
156.17435	1.7
175.03955	2.7
177.05449	1.7
191.07071	1.1
193.04961	45.0
200.20091	79.6
201.20427	2.0
219.06583	2.6
228.73557	1.0
237.07593	12.0
244.22763	1.3
269.04553	1.1
297.04114	1.1
313.07159	1.4
341.06674	4.1
343.08261	1.2
359.07745	1.6
385.09201	8.2
429.11551	1.5
577.13440	8.5
584.28320	1.0
621.16010	15.4
642.93066	1.1
659.78522	0.9
776.32721	2.3
794.33728	80.7
795.33734	4.0
815.07837	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	794.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46591	2.9
63.93286	3.2
67.05492	9.1
68.53529	3.2
70.06586	21.3
71.55735	6.1
72.08131	5.1
79.05490	9.8
80.05021	4.9
81.03413	3.8
81.07059	7.7
81.26249	3.0
82.06595	3.8
84.04488	5.0
84.08144	8.1
86.09696	12.0
91.05468	14.0
93.07047	12.8
94.06559	10.1
95.04977	4.2
95.07365	6.6
95.08597	5.7
96.08105	18.6
102.05605	3.2
105.07015	3.7
107.04947	6.2
108.08104	18.4
110.07185	5.8
110.09696	34.5
120.04469	5.9
120.08092	30.1
123.04428	8.6
124.07582	4.9
136.07581	20.5
137.02405	4.6
137.05972	7.9
138.09126	46.2
148.07581	9.1
150.09171	9.6
152.07063	10.1
153.05452	5.6
155.08112	5.3
155.51419	3.4
159.09190	4.6
164.07079	6.9
166.08627	59.8
177.05438	4.3
231.07701	10.0
237.10234	7.1
239.11749	5.3
249.10228	9.7
251.11867	8.8
263.11838	14.1
264.11337	13.1
265.09677	5.9
265.12222	3.5
267.11359	3.7
269.12872	6.1
275.08096	5.4
277.09738	5.6
279.07687	14.0
279.10788	5.5
281.09305	7.2
281.12787	11.0
283.10815	5.8
289.15527	5.1
291.11444	6.6
293.09167	31.9
293.12329	6.3
295.10748	10.9
297.12415	8.0
307.10855	8.0
309.08957	6.9
309.12451	6.0
312.13293	4.0
321.08661	42.0
323.10031	4.6
324.13501	11.6
325.11539	5.1
337.11902	5.7
339.09793	12.2
341.12326	5.0
344.11481	5.2
353.11237	26.0
356.11127	3.6
357.12454	12.6
358.12689	7.8
359.14069	4.6
367.13272	6.0
369.12314	12.4
370.13080	9.0
371.14044	19.4
381.12415	3.8
383.09888	7.1
385.11832	12.7
394.12741	3.3
397.11908	13.2
398.12677	7.8
399.13297	10.3
401.14865	10.5
414.19171	3.7
415.13062	10.4
417.14102	5.1
427.12637	4.1
428.16058	4.7
429.14389	13.2
432.15079	5.3
439.12888	8.8
445.13824	15.6
457.13980	12.3
458.15204	4.8
460.18552	6.0
474.16629	26.8
476.18216	6.9
477.15991	28.6
477.22235	7.4
486.16565	5.1
488.17789	7.3
490.18613	7.3
504.17496	4.6
506.19199	100.0
520.20422	6.3
522.21893	12.8
582.22369	4.7
592.20624	8.5
595.25446	7.0
597.23700	20.7
609.23413	21.0
610.21918	31.7
611.24152	5.9
612.23724	9.1
617.51654	3.7
621.22870	5.2
622.23926	4.4
623.24847	5.0
624.23511	7.1
626.87329	3.5
629.26196	6.4
632.36932	3.6
639.15424	3.9
639.24219	23.9
640.25116	37.4
641.25934	18.8
642.24512	36.4
653.26239	19.8
654.26721	3.9
671.27130	49.9
696.19757	3.6
744.29901	8.6
762.31238	24.6
794.32507	7.3
794.44946	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	792.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
55.05510	20.7
57.03441	12.7
57.07066	3.3
61.02928	3.0
61.46962	0.8
65.03933	3.3
67.05503	72.4
69.03426	1.2
69.07065	18.5
69.40404	8.8
71.04981	2.7
71.08621	1.0
79.05493	44.0
81.03413	0.9
81.07052	69.2
83.04971	2.3
83.08607	9.2
85.02905	2.7
85.06525	1.8
91.04907	1.4
91.05479	27.8
93.07043	51.9
95.04954	5.0
95.08606	52.5
97.02876	2.4
97.06538	3.2
97.10164	3.3
98.20708	1.0
99.08109	1.3
105.04530	1.5
105.06313	1.7
105.07021	23.5
107.08591	26.8
107.09313	1.6
109.06506	2.1
109.10155	22.5
111.08075	1.6
117.07006	7.3
117.67931	0.8
119.08571	17.3
121.10139	24.4
123.08099	2.2
123.11697	8.9
125.09644	1.2
129.07018	1.2
131.08559	13.3
133.10135	14.7
135.11697	15.0
137.09618	1.3
137.13286	2.4
139.11172	1.0
143.08545	2.0
145.10104	10.1
147.11702	10.1
149.09624	0.9
149.13264	8.2
151.14769	1.1
151.85440	0.9
157.10130	2.1
158.21739	1.0
159.11670	7.2
161.13261	6.9
163.14809	5.6
165.12784	0.9
171.11705	2.5
173.13264	7.7
175.14771	4.5
177.16357	1.2
185.13300	2.0
187.14806	3.5
189.16444	1.2
199.14857	1.1
201.16449	1.9
233.22672	1.4
241.19545	2.5
243.21054	6.5
256.13708	0.9
259.20578	8.4
261.22107	17.7
263.23602	1.2
277.21722	1.0
279.23315	1.1
299.23633	1.2
315.23141	1.1
317.24759	3.2
333.24200	5.2
335.25790	100.0
336.26349	1.8
337.27371	9.1
466.30884	0.9
521.43353	2.6
595.38379	1.4
595.47247	14.0
613.48126	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	794.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.3
57.03402	2.5
61.02935	1.6
65.03918	4.9
67.05483	3.1
69.03423	7.0
69.07084	1.8
70.06573	10.6
71.51559	2.1
72.08141	3.3
78.04710	1.3
79.05501	5.8
81.03410	15.1
81.07046	2.4
84.04496	2.2
84.08121	3.3
85.02891	10.1
86.09708	8.5
87.48516	1.0
89.03908	1.4
89.31352	1.0
91.00051	1.2
91.05472	11.7
93.03407	1.1
93.07013	3.4
95.04957	5.7
95.08595	1.4
97.02879	4.7
97.06503	1.4
102.05541	1.1
103.03973	1.2
103.05453	32.5
105.03378	2.3
105.07027	11.6
106.04159	1.7
107.04950	10.2
109.02805	1.8
109.06493	1.8
110.03631	1.6
110.07118	1.6
111.04458	1.7
113.06013	5.9
115.05427	7.9
117.03329	2.0
117.07018	5.2
118.04131	2.8
119.04951	7.2
119.08585	1.3
120.08084	3.5
121.06482	6.8
122.03621	2.8
123.04398	5.5
124.05194	3.2
125.05964	5.6
127.03932	5.8
128.06175	1.3
129.06961	3.2
129.10237	1.4
130.04086	2.6
131.04916	48.6
131.08530	1.5
133.02898	1.6
133.06467	13.4
134.06813	1.4
135.04410	1.2
135.08060	2.2
136.07516	2.3
137.05965	54.1
139.07541	1.7
142.02576	1.6
143.04932	2.9
144.05676	1.8
145.02841	5.0
145.04956	3.8
145.06474	8.8
147.04395	11.0
147.08046	2.5
148.05145	7.6
149.05960	13.5
151.03886	18.9
151.07530	12.4
152.04553	1.5
152.07031	1.5
153.05377	4.2
156.05627	1.5
157.06436	2.1
159.04395	1.5
159.08041	3.1
160.05156	2.9
161.05969	17.0
162.06667	1.5
163.03860	2.3
163.07527	79.2
164.08029	1.4
165.05441	2.8
165.09027	1.9
167.07014	70.2
171.04410	1.4
171.06522	2.5
173.05943	11.5
175.03828	1.2
175.07507	7.8
176.04692	2.4
177.05458	13.1
177.09082	1.6
178.05983	1.4
179.06998	9.9
181.04941	69.4
181.08487	8.9
182.05380	1.3
183.06552	1.2
187.07481	6.3
189.09041	2.7
190.06206	2.7
191.07013	100.0
192.07509	2.1
193.08578	32.4
193.10326	1.7
195.06485	4.0
195.08040	1.4
201.05461	2.8
203.07004	4.8
205.08557	19.4
207.06493	4.8
207.10046	2.2
209.08069	35.9
209.09802	1.5
217.08569	8.7
219.09995	5.6
221.07939	2.6
223.09763	1.6
223.52867	1.2
225.07439	2.2
229.08719	1.3
231.06326	1.4
233.07980	6.6
235.07477	1.8
235.09605	18.3
245.08095	4.0
247.07356	1.6
247.09715	1.2
263.09128	31.7
264.09631	1.2
265.08401	1.3
265.10730	8.0
267.10223	4.0
271.09616	1.7
295.11795	3.3
297.11221	2.6
299.12616	1.3
301.15390	1.3
303.27069	1.2
307.09653	1.7
325.10712	4.0
327.12415	1.5
329.13718	1.7
337.10526	1.9
339.12180	2.2
341.12411	1.9
355.11853	2.9
357.13202	10.0
367.11508	1.9
371.14670	3.3
383.14771	1.7
385.12640	15.3
385.17044	1.6
387.14322	8.9
399.14246	5.2
401.16071	1.9
417.15396	22.8
458.16965	1.5
547.19580	6.7
549.20892	3.0
567.21362	1.5
579.22046	3.0
581.23004	1.7
744.29205	1.4
794.41986	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	790.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.05023	1.0
58.06603	0.5
60.07890	0.5
60.08163	6.8
62.40751	0.3
65.45518	0.3
67.05474	0.4
70.21530	1.2
71.07375	3.5
73.55692	0.3
74.15760	0.3
78.78407	0.3
81.07057	0.4
82.28098	0.3
86.09704	31.2
93.07011	0.4
95.08633	0.4
98.98465	3.3
104.10738	3.3
121.10181	0.5
124.99998	21.6
137.06006	0.5
143.01012	0.5
146.14049	0.3
184.07336	100.0
217.58916	0.4
222.87967	0.3
275.87643	0.3
335.26117	0.3
436.39676	0.3
496.34131	0.4
555.81244	0.3
563.59222	0.4
590.33081	0.4
772.50537	0.9
790.52295	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	787.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.6
56.05030	0.4
57.03407	0.6
57.07063	0.6
61.02917	0.4
65.03913	0.5
67.05470	1.1
69.03401	1.8
69.07053	0.7
70.06583	4.1
71.03586	0.9
71.03941	0.4
71.04973	0.5
72.08126	1.3
77.03934	0.4
79.05473	0.7
81.03384	1.1
81.07042	2.4
83.08612	0.5
84.04497	0.6
84.08115	1.6
85.02905	4.0
86.09747	1.9
86.10204	0.4
91.05473	9.7
93.07038	15.4
95.04967	4.3
95.08561	1.2
96.36432	0.4
97.02856	1.1
99.04428	0.5
103.04816	0.7
103.05466	10.4
105.04476	1.1
105.06982	0.9
107.04920	0.5
107.08551	0.8
109.02858	0.6
109.10150	0.8
110.07124	0.5
117.07027	0.4
119.04904	0.7
119.08623	0.5
120.08080	1.2
121.06496	100.0
122.06828	1.4
123.04414	0.7
123.11684	1.5
124.12029	0.5
125.05931	0.5
127.03928	0.8
129.10217	1.0
130.04149	0.5
133.06447	0.4
133.10071	0.4
135.04382	0.7
135.11644	0.8
136.07549	0.5
137.05960	1.4
141.03368	2.6
143.04897	0.7
145.02802	0.9
145.06464	0.6
146.06004	0.8
147.04376	1.1
149.05852	0.7
152.07065	0.8
159.08960	0.5
163.03842	0.6
164.07051	6.9
165.05444	0.5
167.07025	1.3
173.05904	1.0
174.06842	0.6
175.07529	0.7
177.05409	1.5
177.06860	0.5
181.05013	0.5
186.03085	0.7
189.07033	0.6
191.07013	5.6
192.07556	0.6
193.08522	0.5
194.07265	0.8
195.07944	0.5
201.05376	90.1
202.05817	1.8
205.06459	4.0
206.07202	0.7
207.08058	0.6
211.07469	0.7
219.08113	2.4
220.05125	2.9
221.05965	0.9
222.06697	3.2
226.05000	0.9
226.37032	0.5
233.05978	2.6
234.06726	2.7
235.07504	10.6
235.20528	0.4
236.08212	0.6
237.05441	0.7
237.09076	13.4
239.06967	0.7
244.05904	3.0
247.07512	3.3
248.04706	3.0
248.08119	0.5
249.05444	2.9
250.06247	5.4
251.06885	0.8
251.19333	0.5
252.07825	0.7
254.09322	0.6
263.07016	18.6
264.07660	2.1
265.05084	2.7
265.08572	31.2
266.05011	0.6
266.09189	2.0
267.06467	2.1
272.12790	1.8
276.04175	1.1
279.10205	0.8
280.07272	6.3
281.07983	0.6
282.08850	39.2
283.09235	1.5
291.06500	22.8
292.06915	1.1
293.07864	0.6
295.09650	1.1
297.11188	26.2
298.11545	0.6
305.24786	1.0
306.25034	0.7
308.06711	2.6
313.10635	2.1
323.09106	65.4
323.25601	0.7
324.09476	1.9
325.10635	1.8
327.08813	0.7
340.11890	1.0
364.11768	16.9
369.09534	0.7
397.69006	0.4
460.17520	33.2
461.17783	1.1
462.18933	2.4
485.14478	1.2
488.17026	55.3
489.17316	2.4
622.22766	31.4
623.23376	1.3
625.25409	1.6
650.22266	59.9
651.22614	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	784.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
56.05035	0.5
61.02905	0.4
67.05498	1.1
68.05036	0.3
69.07060	1.2
69.32519	2.3
71.08639	1.1
73.17077	0.3
74.09724	0.3
78.44625	0.3
79.05491	0.9
80.05824	0.4
81.03429	0.5
81.07044	1.7
84.08155	0.4
85.02903	0.4
86.09701	100.0
87.10052	0.8
91.03957	0.3
91.05470	0.7
93.07027	1.2
95.08617	1.1
98.09686	1.5
103.05494	0.8
103.64559	0.3
105.07037	1.5
109.10189	0.5
112.11228	7.4
114.09089	0.3
117.07015	0.4
119.08578	0.4
120.08096	42.2
121.08440	0.7
121.10188	0.3
132.08051	0.6
133.03413	0.4
140.51825	0.3
146.09619	2.3
153.04675	0.3
154.15901	16.9
155.16283	0.4
157.13351	11.1
167.11852	0.4
184.07268	0.5
185.12843	13.4
187.04623	0.4
188.14333	7.1
191.11771	0.7
199.18047	14.8
200.18404	0.4
209.16473	0.5
219.11278	1.2
225.19609	6.7
226.20007	0.3
227.17522	14.5
227.19775	0.7
233.16476	15.5
234.16814	0.4
237.15932	0.6
239.24077	0.3
243.14775	0.6
253.19096	7.0
259.17963	2.4
261.15982	13.8
262.16287	0.5
267.24323	7.4
268.24753	0.3
277.22806	0.5
278.15131	0.4
287.17545	2.7
289.15182	0.4
289.55389	0.3
295.23755	4.3
298.17892	0.4
298.21219	7.3
301.19971	0.7
301.22812	6.4
302.20172	0.4
311.21201	0.5
322.25116	0.4
329.22168	3.8
332.19687	4.5
335.25696	0.8
340.25995	3.3
350.24283	0.4
352.67606	0.3
366.27585	3.0
374.24365	4.3
383.30020	1.7
400.25922	3.0
408.32184	0.9
411.29590	5.4
417.28653	1.4
425.34903	0.7
442.30643	1.7
445.28091	5.3
446.27814	0.8
453.34018	0.9
455.26349	0.5
459.33072	1.1
479.36002	2.1
480.35303	0.4
480.78479	0.4
487.32776	2.6
496.38351	1.1
513.34296	4.2
515.32080	0.5
524.37982	4.4
526.30286	0.9
526.80298	1.2
527.30579	0.7
527.39313	0.3
530.36969	3.3
555.39105	1.6
558.36450	9.8
559.37067	0.7
568.34521	0.4
572.41406	1.0
586.35480	0.5
592.43689	1.2
598.42981	0.7
600.41064	1.7
609.46893	0.6
626.42700	6.3
637.46509	1.5
643.45398	5.0
644.45319	0.5
653.43378	0.6
668.46814	1.0
671.44849	15.6
672.44501	1.1
713.49103	0.5
739.50867	3.4
756.53662	6.1
766.51965	1.7
784.40601	0.4
784.53241	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	787.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05483	0.4
57.03413	0.5
61.02909	0.8
65.03931	0.4
67.11173	0.3
69.03429	3.1
69.92601	2.0
70.06250	0.5
70.06583	4.6
71.06884	0.5
72.08120	1.1
73.02893	0.6
74.06062	0.5
77.03915	0.5
79.05465	0.5
81.03388	1.3
84.04494	0.9
84.08118	1.4
85.02904	5.1
86.09702	2.2
91.05474	9.2
93.02640	0.3
93.07037	13.7
95.04958	4.8
97.02863	1.5
103.05460	10.2
105.04514	1.1
105.07002	0.7
107.04925	0.8
109.02859	0.7
110.03645	0.4
111.04427	0.4
113.03841	0.5
113.83101	0.3
117.03355	0.4
119.04916	0.7
120.08080	1.3
121.06496	94.5
122.06816	1.4
125.05961	0.5
127.03900	1.0
127.54805	0.4
129.10226	0.9
130.04088	0.6
131.04965	0.4
135.04379	0.4
136.07523	0.8
137.05939	0.6
141.03328	2.9
143.04878	0.4
145.02846	0.5
145.04987	0.6
145.06392	0.6
146.05986	1.0
147.04398	1.0
149.05983	0.9
151.03845	0.5
161.05881	0.5
162.03104	0.5
163.03790	0.4
163.07513	0.5
164.07054	5.9
167.07022	0.4
173.05898	0.6
174.06746	0.7
177.05415	1.9
186.03041	0.6
189.06934	0.6
191.07016	6.5
191.08594	0.6
193.08507	0.4
194.07251	0.7
201.05373	87.4
202.05774	1.5
205.06528	3.4
207.08073	0.8
211.07469	1.0
219.08093	1.8
220.05171	3.8
221.05956	1.4
222.06770	2.8
226.04922	0.8
233.05980	2.1
234.06725	3.0
235.07542	11.6
236.08125	0.6
237.05455	0.7
237.09103	11.7
238.09526	0.4
239.06940	0.9
243.81502	0.3
244.06044	2.8
247.07553	2.5
248.04643	4.7
248.07307	0.4
248.08220	0.4
249.05385	3.1
250.06207	3.8
251.06978	0.8
252.07849	0.5
254.09230	0.5
263.07028	19.0
264.07639	2.0
265.05066	2.6
265.08585	26.9
266.09085	1.7
267.06451	1.4
270.19067	0.4
276.04236	0.8
279.10162	1.2
280.07300	6.0
281.07813	0.5
282.08850	35.1
283.09216	1.3
291.06491	29.3
292.06882	1.0
295.09607	1.2
297.11203	20.4
298.11511	0.7
299.09116	0.8
308.06772	3.2
312.06516	0.6
313.10690	2.7
323.09113	64.1
324.09531	2.3
325.10660	0.9
327.08441	0.8
338.13843	0.5
340.11786	0.9
364.11746	15.7
365.11807	0.5
366.13458	0.5
460.17526	53.5
461.18051	2.2
462.19107	0.4
488.17010	100.0
489.17368	5.0
555.25262	0.3
625.24969	1.0
650.22302	10.7
651.22015	0.4
651.51361	0.4
787.29675	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	780.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
58.06628	0.4
59.07407	0.1
60.08161	5.2
67.05497	0.2
70.06593	0.1
71.07372	3.3
71.34940	0.2
77.25887	0.1
81.07052	0.2
86.09704	28.5
87.10041	0.3
89.51144	0.1
98.98462	3.1
104.10745	2.0
116.10586	0.1
125.00001	18.4
126.00358	0.1
136.98050	0.1
143.01028	0.3
144.18790	0.1
151.19943	0.1
166.02693	0.2
167.07054	0.1
184.07336	100.0
185.07689	0.9
304.89331	0.1
357.46442	0.1
367.64877	0.1
597.48798	0.2
780.55365	1.9
781.54822	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	778.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.0
58.06625	0.4
59.07376	0.2
60.08162	9.9
61.36275	0.1
67.05497	0.2
70.06590	0.3
70.76699	0.4
71.07370	5.9
79.05484	0.2
80.97446	0.2
81.07040	0.4
86.09701	44.6
87.10023	0.5
98.98461	5.6
103.61060	0.1
104.10742	2.7
115.55278	0.2
124.99995	33.9
133.31398	0.1
143.01036	0.4
166.02689	0.2
184.07329	100.0
185.07654	1.1
233.62277	0.1
388.66537	0.2
778.53882	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	779.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05497	1.2
57.03426	1.1
59.38947	0.6
59.49406	0.5
60.08162	0.8
61.02922	5.5
61.76201	0.6
65.00570	0.5
67.05509	4.3
69.03429	3.2
69.07069	0.8
70.36900	1.5
71.04990	1.4
72.31010	0.6
73.02911	3.3
79.05486	3.7
81.03423	3.3
81.07047	5.8
83.08592	1.0
83.37424	0.5
85.02898	4.3
86.09698	3.4
87.04458	0.8
91.03945	3.3
91.05459	2.6
93.07030	3.6
95.04951	0.9
95.08613	2.9
97.02888	3.5
99.04443	1.0
101.02380	1.6
101.94579	0.5
105.07051	2.2
105.09856	0.5
107.04909	0.8
107.08600	2.4
109.02897	1.0
109.10168	1.5
111.08073	0.9
119.08581	1.4
121.10152	2.3
123.11719	0.5
124.99986	3.2
127.03888	1.3
131.08595	1.2
133.10135	1.9
147.11702	1.0
147.32512	0.5
149.09627	1.1
149.13300	0.7
157.10133	1.0
161.13304	0.7
184.07329	12.6
185.04288	0.6
185.07701	1.3
193.12271	1.1
203.05243	0.7
243.08440	2.2
257.73856	0.5
267.16010	0.7
283.15195	4.1
317.17880	0.9
339.17606	0.9
501.22998	9.4
519.29266	6.3
711.36646	0.6
779.45398	100.0
780.45667	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	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.05507	40.6
57.03430	14.8
57.07058	2.9
59.04983	3.4
60.61466	1.6
61.02924	4.5
65.03926	4.6
67.05502	100.0
68.05840	1.5
69.03410	3.8
69.07076	18.4
69.49600	10.3
69.50021	4.1
71.04977	3.7
79.05491	49.1
81.03412	6.0
81.07051	57.0
83.04967	5.1
83.08613	16.1
85.02910	16.0
85.06522	3.2
87.04458	5.0
91.05470	26.0
93.07040	44.4
95.04960	6.8
95.08601	41.5
97.02872	3.1
97.06522	3.9
97.10163	22.3
103.03969	2.4
105.07024	15.7
107.04932	2.4
107.08587	27.2
109.06502	3.4
109.10148	54.1
111.08074	3.5
117.07021	8.6
119.08568	17.0
121.10141	22.7
123.08036	3.4
123.11681	5.2
125.05936	2.0
125.09624	22.8
129.06953	2.2
131.08563	9.3
133.10130	9.8
135.08057	2.2
135.11668	12.9
137.09578	4.2
139.11217	2.3
143.10710	4.6
145.10071	9.5
147.11731	9.1
149.09575	3.1
149.13202	5.6
157.10081	3.4
159.11707	6.7
161.13232	5.7
163.11160	6.1
163.14832	3.8
171.11623	4.0
173.11717	15.4
173.13219	6.3
175.14815	2.8
181.12256	3.6
184.07297	2.1
185.13300	1.9
185.44409	1.8
187.14816	2.4
191.05948	1.7
193.12228	3.9
199.13277	8.4
209.11621	2.8
211.13135	2.1
217.14336	2.0
221.15302	1.8
227.12834	8.1
229.14334	47.7
242.08278	1.9
243.20993	5.2
245.13779	2.7
261.22131	14.8
267.15768	2.5
283.15335	3.4
293.34488	1.9
301.16452	17.2
303.22977	1.9
317.24799	2.6
327.23041	2.4
333.24329	2.3
335.25778	89.6
336.26169	2.8
388.06201	1.7
459.34811	2.0
477.35974	11.8
489.35721	18.7
543.36359	5.8
561.37653	8.8
571.00305	2.1
579.37988	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	774.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.3
55.05508	23.5
57.03428	21.8
57.80128	1.6
58.02776	1.7
61.02923	1.7
62.53538	1.5
65.03912	3.0
65.94992	1.6
67.05501	68.4
69.03410	4.1
69.06805	1.4
69.07072	15.5
69.54205	2.0
69.89890	9.3
70.20853	1.6
71.04959	2.9
79.05488	45.1
81.03414	100.0
81.07049	64.2
81.07526	3.9
83.04951	4.7
83.08605	22.4
85.06543	2.7
89.09796	1.7
91.05473	35.5
93.07036	45.8
95.04957	32.3
95.08604	44.8
97.02901	2.8
97.06505	5.2
97.10134	7.4
98.21535	2.1
105.07027	27.9
107.04950	8.3
107.08582	25.9
109.06496	4.6
109.10143	21.6
111.08056	4.9
117.07002	8.4
119.08578	26.0
121.06514	2.5
121.08549	1.6
121.10132	23.6
123.04474	2.3
123.07983	3.2
123.11686	7.2
125.09609	3.9
129.07004	11.3
131.08548	20.7
133.06476	4.3
133.10118	16.9
135.08067	3.4
135.11708	15.0
142.07784	2.6
145.10123	9.8
147.08072	3.6
147.11687	14.7
149.09589	6.0
149.13239	7.1
155.08563	2.6
157.10088	9.3
159.11700	9.4
161.13235	5.5
163.11183	3.0
163.14813	3.1
165.12692	2.2
171.11708	3.5
173.13252	6.5
175.11185	8.5
175.14828	2.6
177.49101	1.9
184.07437	2.9
187.14771	3.9
189.11169	6.0
193.12239	21.0
227.12741	6.2
243.21037	7.1
247.16949	2.0
259.20404	1.8
261.22067	18.4
267.15909	99.0
268.16119	2.8
279.23282	2.6
301.14404	2.7
301.25284	4.5
309.16992	2.6
317.24857	2.2
335.25769	90.3
336.26041	4.5
417.25278	2.0
421.25629	3.5
428.75864	2.1
435.32507	5.4
453.33484	6.0
471.34570	3.9
509.36169	2.2
527.37280	63.9
528.38177	2.5
545.30652	2.8
545.38397	48.3
569.37958	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
55.05504	19.0
57.03438	17.3
57.07064	2.5
59.05008	1.4
64.02982	1.1
65.03930	4.6
67.05504	62.3
69.03426	2.4
69.07062	14.4
69.53470	3.6
69.53897	6.2
71.04982	4.3
71.08604	2.0
73.44645	1.0
79.05492	43.6
81.03418	100.0
81.07054	59.3
81.07537	2.6
83.04987	5.7
83.08619	22.5
85.02929	1.7
85.06537	3.6
86.09705	2.4
91.05479	36.6
92.38474	1.1
93.07044	46.1
95.04375	2.0
95.04969	29.8
95.08607	43.9
97.02871	2.2
97.06525	4.3
97.10166	8.6
99.08054	1.5
105.07031	27.5
107.04967	7.8
107.08593	27.8
109.06507	6.0
109.10149	21.8
111.04435	1.5
111.08085	8.7
115.05440	1.5
117.07034	7.2
119.08583	28.8
121.06502	2.9
121.10135	22.9
123.04391	1.6
123.08057	2.9
123.11716	7.1
125.00038	1.5
125.09616	5.0
129.07004	12.6
131.08574	21.8
133.06451	2.9
133.10138	17.0
135.08025	2.1
135.11671	14.2
136.25748	1.2
137.09608	2.4
137.13254	2.2
142.07796	3.1
143.08568	2.2
145.10100	10.0
147.08014	3.9
147.11674	15.8
149.09624	5.0
149.13234	8.4
155.08537	1.9
157.10141	13.2
159.11674	7.7
161.13258	7.0
163.11172	2.4
163.14792	3.8
165.12720	2.9
169.10040	1.5
171.11708	2.7
173.13290	8.3
175.11143	8.1
175.14825	2.6
177.12785	1.3
184.07362	4.9
185.13232	2.2
187.14816	3.2
189.11195	3.2
193.12224	20.8
197.13321	1.7
199.14810	1.3
201.16478	1.3
211.13219	2.6
227.12755	7.3
233.15497	1.3
234.73085	1.2
235.13260	1.7
243.21077	3.5
249.14923	2.4
259.13187	1.2
261.22168	17.4
267.15909	93.3
268.16208	3.4
285.22229	1.5
301.25192	4.8
309.17191	1.8
317.24689	3.9
318.13385	1.4
335.25800	67.4
336.26016	1.9
341.48694	1.3
374.99875	1.1
417.26157	1.8
421.25497	1.4
435.27319	1.9
435.32596	6.0
449.28482	1.4
453.33640	7.8
471.34689	5.3
527.37347	50.3
528.37549	3.3
545.38336	39.1
546.38361	3.1
559.39703	1.4
569.38501	2.3
577.40778	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	771.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
55.05509	7.6
57.03431	4.5
57.07072	1.9
61.02925	12.6
67.05506	17.7
69.03416	7.5
69.07068	9.0
69.20367	11.5
71.01378	1.1
71.04978	1.0
73.02911	9.6
74.11459	1.0
76.02637	1.2
78.58117	1.0
79.05483	11.9
81.03410	2.1
81.07060	17.0
83.04978	1.7
83.08619	5.1
85.02905	11.8
85.06551	1.8
91.03957	7.9
91.05473	9.3
93.07034	12.2
95.04957	2.1
95.08605	14.1
97.02902	8.0
97.06533	2.1
97.10144	1.9
98.20803	2.0
101.02398	1.5
105.07028	10.7
107.08596	9.0
109.02906	1.7
109.10130	6.3
111.08064	2.3
111.97619	1.0
117.07024	6.8
119.08560	9.1
121.10123	5.0
123.11680	2.2
127.03867	1.8
128.06209	2.5
129.07005	6.8
131.08557	9.0
133.10167	9.8
135.11694	3.7
141.06955	3.4
142.07774	1.7
143.08575	9.4
145.10097	9.4
147.11687	5.2
147.36105	1.1
149.13283	1.8
153.07022	1.3
153.81108	1.0
154.07841	1.6
155.08514	6.9
156.88995	1.0
157.10144	7.6
159.11687	4.6
161.13268	2.3
167.08595	3.7
169.10109	9.1
171.11655	7.9
173.13264	4.3
175.14738	1.8
179.08455	1.0
181.10117	4.9
183.11668	8.1
184.07372	1.2
185.13219	5.4
187.14787	2.3
193.10069	2.1
195.11719	4.9
197.13228	6.6
199.14841	3.6
205.10323	1.5
207.11742	2.9
209.13240	5.7
211.14822	5.2
213.16460	1.3
221.13208	2.8
223.14809	3.6
225.16440	3.0
227.17958	2.8
237.16354	2.7
239.17926	2.3
249.16434	1.9
251.17934	1.2
253.19408	1.4
259.14780	1.3
277.19327	1.4
307.20499	1.0
311.23810	1.2
351.26990	1.7
365.28445	2.2
391.30038	1.6
477.43716	1.2
499.39038	1.4
517.40283	6.7
527.37286	1.4
535.41785	2.1
539.37744	1.6
541.38538	1.3
545.37903	2.5
573.43304	1.3
591.44305	6.2
607.42828	1.6
609.45087	100.0
610.45551	6.6
621.45093	1.8
671.52618	1.2
673.48175	1.8
699.45746	1.5
771.50531	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	762.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.42432	0.4
55.01877	1.2
55.05505	3.1
56.05022	1.0
57.03422	0.8
57.07079	0.4
58.99578	1.0
59.04956	0.4
61.02919	0.5
65.03933	0.6
67.05506	8.1
69.03435	2.6
69.07070	3.7
70.06576	2.4
70.80030	1.2
71.04996	1.1
72.08154	0.4
74.00650	1.9
76.02238	2.2
79.05489	6.7
80.05006	1.4
81.03408	1.4
81.07056	17.5
82.06580	0.7
83.04982	1.7
83.06100	1.6
83.08613	2.8
84.04502	4.7
84.08115	0.6
85.01134	0.7
85.02902	3.0
85.06525	0.7
86.00630	0.8
86.06067	0.6
86.09725	1.5
87.02715	0.5
87.09680	0.4
91.05479	5.6
93.07043	6.7
94.06551	1.3
95.04995	2.5
95.08607	9.3
96.08142	1.0
97.01112	1.9
97.02882	1.6
97.06539	1.1
97.10158	0.6
99.01411	3.1
99.02663	0.5
99.05589	0.5
100.02207	5.4
103.05448	0.8
105.07032	6.4
106.06574	0.9
107.04917	2.1
107.08604	4.0
108.04520	0.4
108.08102	1.2
109.02840	0.5
109.06513	4.8
109.10163	3.2
110.07137	0.5
111.02679	0.7
111.04440	0.6
111.08094	1.0
112.02193	6.5
113.00583	0.7
113.02979	1.3
113.04216	0.6
114.03748	6.6
115.05755	0.7
116.01686	1.6
117.07045	2.2
118.06539	0.6
119.00612	0.5
119.04971	0.4
119.08578	4.9
120.08110	1.6
121.06517	2.7
121.10142	3.0
122.09624	0.5
123.02713	0.6
123.08093	1.5
123.11711	1.0
125.04208	1.4
126.03722	2.8
127.03886	1.0
127.07520	0.5
129.06682	1.8
130.04982	1.7
131.04832	0.5
131.08568	2.9
133.06502	0.7
133.10114	3.2
135.08055	1.0
135.10362	0.6
135.11687	1.6
136.03886	0.6
136.07591	0.7
137.05978	2.0
137.09613	0.8
138.03731	2.0
139.03256	0.4
139.05774	0.6
140.01649	0.4
140.05290	6.6
142.03264	0.5
142.06726	0.5
143.08533	0.6
144.01160	0.7
145.06223	0.6
145.10141	3.0
147.11705	3.5
149.09612	1.2
149.13290	2.0
151.05754	1.0
152.05272	2.1
153.06535	0.8
154.06853	1.3
157.10065	0.9
159.11726	1.4
161.05861	0.5
162.02211	1.0
162.05386	0.5
163.11171	1.3
165.09108	0.6
165.12852	0.6
166.06873	1.4
167.07011	5.2
168.08432	16.3
169.10109	0.7
171.11710	0.8
173.13258	2.0
175.11223	0.7
176.03726	0.5
177.05466	1.1
177.12831	0.6
179.04921	0.8
179.07060	0.5
180.08446	0.5
181.04840	1.0
181.06201	0.5
185.03772	2.3
187.05435	0.7
187.11128	0.5
187.14755	0.6
191.14311	1.2
193.06094	0.5
193.08572	0.5
202.04074	1.5
207.13794	0.5
208.06081	0.7
208.17006	0.8
209.15424	1.7
215.04958	0.6
216.05623	2.9
222.15001	0.7
231.04387	3.7
233.05984	1.4
236.14702	1.2
241.06456	1.6
247.20427	0.6
248.16418	0.6
255.07961	3.3
256.08749	0.6
257.19122	0.9
264.14169	5.8
265.14972	1.1
269.09607	1.4
270.10358	7.4
271.11032	1.5
275.20041	5.7
281.14441	2.2
282.15219	30.0
283.15585	1.1
293.21146	1.9
307.17487	1.0
308.08984	0.7
323.16052	1.1
323.20126	0.5
324.20016	0.7
332.20538	0.6
333.18814	1.7
339.17429	0.8
350.21497	9.0
351.20001	1.8
368.15295	0.6
368.22488	11.5
384.12177	0.8
384.17154	10.6
385.17947	2.1
398.21671	0.5
453.24188	100.0
454.24399	4.5
479.25452	0.7
507.25082	0.6
525.26465	3.1
537.26074	0.7
552.21338	0.4
582.28491	1.7
583.27026	0.5
600.29510	19.0
601.29297	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	761.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01864	0.7
55.05510	1.5
57.03441	1.6
57.54084	0.6
59.05001	1.2
61.02919	3.4
62.49082	0.7
67.05500	3.1
69.03426	2.5
69.07070	1.9
70.06580	2.0
71.04982	2.5
71.51697	0.7
73.02916	3.1
79.05493	4.0
81.03413	5.0
81.07060	3.9
83.05035	0.9
83.08621	1.2
84.08140	1.3
85.02905	5.1
86.09695	2.3
91.03967	2.0
91.05476	4.8
93.07047	3.0
95.04961	2.0
95.08595	1.5
96.37206	0.7
97.02897	3.0
101.02359	1.3
103.03930	0.8
105.07004	3.6
107.08589	1.9
109.02924	1.1
111.08112	0.8
115.05409	1.0
119.08587	2.0
120.08152	0.8
121.08524	0.6
121.10146	3.4
127.03943	2.1
129.07002	1.5
129.10344	0.6
131.08603	2.2
133.10135	1.6
134.74849	0.6
135.04449	0.7
137.06017	1.3
137.13252	0.7
143.08699	0.8
145.02649	0.9
147.11736	1.9
149.09641	2.9
157.10146	2.0
164.07158	0.8
165.09111	0.7
167.07085	1.2
171.87195	0.7
174.69443	0.6
175.11272	1.3
177.05559	0.8
193.12311	1.9
197.15466	1.0
225.14908	1.4
231.54807	0.7
243.08450	2.3
253.14183	0.8
267.16006	1.1
283.15170	5.5
331.78137	0.7
339.17667	1.0
469.20264	1.1
501.23050	28.8
501.30466	1.4
502.23285	1.5
581.33862	0.9
761.39233	100.0
762.39380	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	760.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
56.05000	1.1
60.04479	2.7
60.66726	0.7
67.05482	1.6
68.04935	0.7
69.03429	4.4
69.07032	0.9
70.06592	12.4
71.04930	1.2
71.57368	1.1
72.08151	3.5
73.02859	0.6
74.06068	0.8
78.04668	0.9
79.05491	4.0
81.03364	1.8
81.07020	0.9
84.04436	2.4
84.08157	4.2
85.02919	4.5
85.06502	0.7
86.09702	5.8
87.05555	0.9
88.04008	0.8
90.69753	0.7
91.05459	6.0
93.06992	2.9
93.07499	0.6
95.04955	1.4
97.02905	4.2
97.06487	1.1
98.06032	1.1
99.02820	0.7
99.04391	0.9
102.05507	1.3
103.05414	1.3
105.06973	2.8
106.04145	0.8
107.04951	6.0
107.08530	2.1
109.02840	1.3
109.06467	1.5
110.07121	1.1
110.83186	0.9
115.05384	2.4
119.04887	1.4
120.08062	1.5
121.06457	1.8
121.10056	0.9
123.04420	6.8
123.05282	1.2
123.49740	0.7
124.05161	1.9
126.13749	0.8
127.03871	1.7
129.06990	1.2
129.10208	1.9
131.04886	2.4
131.08574	6.8
132.08011	2.0
133.02795	0.8
134.06039	0.7
135.04379	1.5
136.07538	1.6
137.05971	4.0
141.53650	0.7
143.04922	3.5
145.10078	1.8
147.04385	9.3
149.05927	3.1
149.09570	2.4
152.04678	1.2
152.07033	3.3
153.05362	1.6
158.08101	0.9
160.07585	3.6
161.05945	6.1
162.05429	1.4
163.06152	1.1
164.07025	2.0
165.05453	1.2
167.07033	90.6
168.07347	2.0
172.07411	0.8
173.05954	1.3
174.03053	0.7
175.03941	6.5
175.06218	1.0
176.07108	8.7
177.05418	3.1
177.07840	6.3
178.08661	16.7
179.08456	2.6
181.04872	1.8
181.06316	1.4
181.08540	1.3
183.07990	1.1
187.03857	1.0
189.06938	2.6
189.97147	0.7
191.05669	1.3
191.10593	1.4
193.04956	0.8
195.07964	1.0
204.06601	1.5
204.08487	0.9
205.06578	2.5
206.08167	10.1
207.06375	1.8
207.08066	9.7
209.11702	0.8
210.06764	1.6
211.07558	0.9
213.05499	0.9
217.06485	2.7
218.08046	1.6
219.08047	1.6
220.05080	1.8
220.09619	0.8
221.05930	4.4
222.06793	0.9
223.07472	2.6
224.08311	2.0
225.09030	0.9
227.06950	1.0
233.05956	1.5
234.06831	4.5
235.07520	19.6
237.05467	2.0
237.08917	0.8
238.06250	4.6
239.07028	1.4
240.07640	1.0
245.05855	1.5
247.07549	1.7
249.05493	4.0
250.06224	2.2
250.08575	1.6
251.07077	4.1
251.09219	0.8
252.07761	5.1
253.08563	9.6
261.05487	1.0
262.06238	15.8
262.08527	0.7
263.07010	18.8
263.09653	1.6
264.07675	1.6
265.04922	6.2
265.08310	1.3
265.11060	1.3
266.05762	3.8
267.06729	3.8
267.10147	2.6
269.08047	1.2
277.04938	1.4
278.05496	1.4
278.08136	2.2
279.06158	3.8
279.09085	3.3
280.07172	4.6
281.08078	21.6
282.08780	4.7
283.06039	3.9
290.05670	3.0
291.06479	2.5
292.06982	1.2
293.07800	2.7
293.10550	1.7
294.05307	1.9
294.11215	3.5
295.06189	1.6
295.09637	4.8
296.09232	3.0
297.07565	1.4
298.08270	7.1
306.07800	1.2
307.08441	3.1
308.06134	5.5
308.09277	4.1
309.07422	8.2
310.07904	1.6
310.11139	1.1
312.81445	0.8
313.10681	26.0
314.10355	1.2
321.09937	3.6
322.10657	7.0
323.08911	12.7
324.08643	9.2
326.07715	5.5
329.10141	1.3
337.09235	1.3
338.10150	6.2
339.10999	16.1
340.11685	1.1
341.10187	20.1
343.12186	0.8
344.14722	4.1
354.13345	45.5
355.13626	1.9
357.11813	1.0
372.14413	100.0
373.14746	3.3
390.15384	4.4
516.18585	5.9
534.19739	37.6
535.19879	1.2
760.31659	93.2
761.32123	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	758.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01877	1.3
55.05510	18.1
57.03446	5.9
57.07064	2.8
58.59528	0.7
59.04981	1.5
61.02919	4.3
65.03934	2.6
67.05502	74.2
69.03409	2.5
69.07069	12.4
70.77235	2.4
71.04993	23.2
73.02889	1.2
79.05489	37.4
81.07052	98.3
82.07400	1.3
83.04973	5.3
83.08621	10.2
85.02896	2.4
85.06540	8.2
91.03958	1.4
91.05475	29.3
93.07040	43.4
94.07327	0.8
95.04958	3.4
95.07981	1.7
95.08599	31.6
97.02868	1.9
97.06526	5.2
97.10154	2.6
99.08062	2.0
105.04489	0.9
105.07032	17.6
107.08583	22.6
109.06480	1.5
109.10153	15.1
111.08068	3.1
117.07002	3.8
119.08573	9.6
121.10139	17.0
123.08080	1.3
123.11708	12.8
125.09615	0.9
131.08560	10.7
133.10118	20.6
135.11688	12.4
139.11133	0.9
143.08514	1.0
145.10107	5.1
147.11693	4.8
149.13260	6.0
151.11166	7.1
157.10104	1.0
159.11679	6.6
161.13263	2.3
169.12198	1.5
173.13254	2.5
175.14836	1.6
177.12727	2.3
183.13809	3.7
184.07312	2.2
187.13297	3.7
187.14793	1.3
195.13799	2.3
199.14949	1.2
203.46547	0.8
211.14825	0.9
227.16371	1.2
257.17435	1.6
259.20615	1.9
261.22098	3.7
269.17419	5.4
301.20090	19.6
335.25751	26.6
393.31311	0.9
411.32535	1.6
429.33862	1.0
437.33798	1.4
485.36130	4.1
503.37299	100.0
504.37399	4.1
517.38977	5.2
529.38837	14.1
561.41473	81.4
562.41815	2.9
686.65210	1.0
723.44452	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
55.01864	9.9
55.05507	29.2
57.03431	16.0
57.07060	4.8
59.04996	3.1
61.02928	6.5
65.03934	4.1
67.05502	92.2
69.03426	5.0
69.07068	25.6
70.11583	2.8
70.12001	4.4
71.01340	3.7
71.04977	5.8
73.02909	3.0
79.05018	2.1
79.05489	65.5
81.03420	15.4
81.07051	80.5
83.01354	1.6
83.04976	21.1
83.08613	16.0
85.02909	9.2
85.06544	5.7
86.09685	2.7
91.03947	3.5
91.05479	44.0
93.07038	74.5
95.04967	18.2
95.07983	2.8
95.08600	57.3
95.38462	1.1
97.02886	13.5
97.06516	14.2
97.10162	7.5
99.04444	3.7
99.08105	2.3
105.04588	1.6
105.07027	36.5
107.04949	12.8
107.08588	47.9
107.09319	3.0
108.08921	1.5
109.02885	1.3
109.06533	8.1
109.10149	33.6
111.04449	16.6
111.08095	8.7
113.09654	1.3
115.05422	2.3
117.07016	17.3
119.08577	31.9
121.06524	6.6
121.10127	34.2
123.04404	1.7
123.08063	8.1
123.11667	8.4
125.00016	1.3
125.05998	2.9
125.09643	5.5
127.03883	1.5
128.06190	1.6
129.06985	8.5
131.08559	26.6
132.08890	1.5
133.06483	2.0
133.10124	29.5
135.08063	6.4
135.11682	40.8
136.93536	1.3
137.06058	1.2
137.09593	4.6
137.13177	1.4
139.11174	1.7
141.06989	2.2
142.07782	1.5
143.08572	7.1
144.06682	1.2
145.06467	3.0
145.10124	37.9
147.08018	7.6
147.11697	12.9
149.09587	9.1
149.13252	7.5
151.11136	4.1
153.09190	1.4
153.12761	11.5
155.08553	7.2
157.10141	7.4
159.08069	2.1
159.11664	13.4
161.09608	4.2
161.13228	6.7
163.11169	34.6
163.14832	3.7
165.06906	1.5
165.09152	1.8
165.12764	1.4
169.10109	2.9
171.08029	1.7
171.11688	5.2
173.09612	11.7
173.13225	9.3
175.11165	1.9
175.14833	3.8
177.12724	2.1
179.14317	1.5
181.10039	1.7
181.12245	12.5
183.11688	4.5
184.07367	5.1
185.09607	1.6
185.13269	4.7
187.11179	2.1
187.14833	5.7
189.11234	2.8
189.12779	2.2
191.10666	15.0
193.10332	1.7
193.12218	1.6
195.11703	1.7
197.13266	3.1
199.13197	2.4
199.14908	2.6
201.12842	1.8
201.16414	2.0
206.33260	1.3
209.11693	34.4
211.14842	1.6
213.12718	1.5
223.14775	1.6
227.12772	27.4
227.16333	3.2
229.14355	5.1
243.21092	5.6
247.16934	1.5
253.14265	3.1
255.15907	3.6
259.20657	4.3
261.22092	16.3
271.15408	1.6
271.20380	1.4
273.22119	4.9
275.20084	1.7
277.21558	1.4
279.23239	1.5
283.15369	64.1
284.15671	1.4
285.16916	2.7
289.21704	3.2
297.21817	1.6
299.20157	2.1
299.23483	2.6
300.15149	2.2
301.16434	55.1
301.21661	2.9
313.21313	1.7
315.23123	5.5
317.21033	2.5
317.24554	3.1
333.24335	3.7
335.25775	84.0
336.26169	3.4
357.24319	1.6
373.23709	3.9
423.32599	2.4
433.30746	7.1
451.32150	11.7
469.33316	10.1
487.34024	3.5
507.34686	1.9
515.37061	1.8
525.35736	23.8
543.36792	100.0
544.36969	5.3
561.37811	66.0
562.37915	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01860	4.6
55.05508	24.3
57.03442	11.0
57.07079	4.1
59.04998	2.9
59.84860	1.3
60.08155	2.1
61.02924	7.0
61.80129	1.4
65.03938	4.6
67.05502	83.6
69.03438	4.0
69.07069	24.1
71.04984	5.3
71.30612	2.8
71.30952	1.2
73.02921	2.1
79.05489	50.3
81.03412	4.8
81.07051	63.4
82.07394	1.3
83.04980	9.7
83.08608	17.2
85.02905	5.2
85.06535	6.0
86.09709	6.2
86.71528	1.4
91.05475	49.9
93.07042	56.3
94.82610	1.2
95.04978	14.2
95.07993	1.9
95.08599	38.0
97.02883	6.1
97.06509	11.9
97.10166	7.0
99.08062	1.6
105.07024	40.0
107.04951	9.0
107.08591	37.3
109.06493	8.3
109.09401	1.6
109.10149	33.3
111.04452	8.9
111.08076	6.9
113.06012	3.6
113.09635	2.0
113.49366	1.3
115.05440	1.9
117.07012	17.0
119.08579	35.9
121.06506	6.0
121.10121	20.6
122.18905	1.5
123.08066	5.3
123.11691	7.3
124.99996	3.1
125.05934	2.4
125.09608	4.5
127.07553	2.3
128.06247	3.3
129.06987	12.1
130.07825	1.9
131.08556	26.1
133.06509	3.4
133.10129	29.8
135.08075	7.6
135.11690	26.6
137.09618	6.0
141.06961	3.7
143.08530	10.1
144.71823	1.3
145.06500	4.5
145.10114	26.0
147.08052	5.3
147.11671	21.1
149.09607	9.4
149.13235	5.3
151.11168	6.9
153.12776	2.0
155.08546	7.3
157.10130	10.2
159.08049	4.1
159.11656	18.0
161.09581	6.7
161.13208	6.5
163.11186	11.4
165.12730	1.7
167.08597	2.0
167.10698	2.8
169.10083	7.6
169.43806	1.4
171.08037	1.7
171.11684	9.2
173.09631	8.2
173.11736	4.1
173.13261	10.8
175.11191	4.7
175.14847	2.5
177.12831	2.0
181.10184	2.4
181.12244	3.3
183.11679	4.9
184.07330	17.8
185.09605	1.7
185.13234	8.0
187.11217	3.1
187.13263	1.7
187.14833	4.0
189.11211	2.9
189.12746	2.6
190.24474	1.5
191.10651	6.4
193.10036	1.8
193.12196	1.7
195.11662	3.2
197.13263	4.7
199.11201	2.1
199.14812	4.7
201.12738	1.9
201.16380	2.6
203.14276	1.5
207.11710	1.7
209.11710	14.5
209.13411	2.0
211.11284	1.4
211.14891	2.6
215.12660	1.9
215.18190	1.8
227.12857	6.1
227.16493	4.9
229.14223	10.7
233.15366	2.6
239.17885	2.0
243.15938	1.7
247.16956	1.6
253.14253	2.6
255.15849	12.7
255.20908	1.9
257.19064	2.2
259.20535	2.5
261.22174	4.0
271.15424	1.7
271.20566	2.9
273.22159	6.9
283.15393	56.0
283.20239	2.2
289.21634	4.3
291.23285	2.0
297.22272	2.2
299.19919	2.7
301.16208	2.3
301.21585	3.8
313.21689	2.7
315.23111	12.2
317.21100	6.2
317.24533	1.9
333.24210	3.5
335.25964	8.9
337.26663	1.4
347.08963	1.5
363.25348	2.2
373.23495	8.5
375.25238	2.2
389.26855	3.1
391.24652	3.2
415.29663	2.0
423.32587	2.5
433.30933	8.8
451.32022	14.7
469.33228	14.2
472.95914	1.5
485.32565	1.9
487.34180	7.3
507.34705	1.9
515.37274	3.8
525.35754	25.5
526.35950	2.7
543.36780	100.0
544.37390	8.8
554.88049	1.6
561.37805	34.9
562.38159	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86537	1.3
53.03944	3.3
55.01865	5.1
55.05511	20.6
57.03440	13.5
57.07077	2.6
61.02915	6.1
65.03933	5.1
67.05505	79.7
69.03432	4.5
69.07063	21.0
69.34852	14.7
71.04996	4.4
72.97192	1.2
73.02913	2.9
74.74318	1.3
77.03935	1.7
79.05495	54.3
80.70047	1.7
81.03419	4.2
81.07053	58.8
83.04980	10.9
83.08624	12.9
85.02901	7.0
85.06561	4.7
86.09698	3.2
90.25647	1.2
90.62247	1.5
91.03978	2.3
91.05478	44.8
91.06022	2.8
93.07047	59.0
93.07639	2.9
95.04975	14.1
95.08607	36.7
97.02900	9.7
97.06528	10.9
97.10180	5.4
97.14146	1.5
99.04458	3.1
99.08067	2.3
105.07027	36.3
107.04960	10.2
107.08596	34.5
108.65302	1.5
109.06490	8.3
109.10161	29.4
111.04443	10.6
111.08086	5.1
113.05990	3.6
113.09676	1.9
115.05447	1.9
117.07018	20.6
119.08586	34.2
120.08855	1.3
121.06506	3.8
121.10152	23.3
123.08083	4.2
123.11727	6.3
125.00008	3.3
125.06013	1.7
125.09618	3.7
127.03895	1.3
128.06226	1.8
129.07001	10.2
130.07813	2.6
131.08557	26.6
133.06477	3.6
133.10126	29.4
135.08061	6.7
135.11694	26.6
137.09624	6.1
139.11127	2.2
142.07867	1.3
143.08578	10.1
145.06471	4.3
145.10115	25.3
147.08052	8.4
147.11674	15.4
148.21060	1.3
149.09608	10.4
149.13254	6.1
151.11157	6.1
153.09129	1.7
155.08611	7.0
157.10126	9.9
159.08096	3.0
159.11694	13.3
161.09650	5.1
161.13213	8.5
163.11180	11.2
163.14899	2.3
169.10143	5.4
171.08119	1.5
171.10429	1.3
171.11673	7.9
173.09613	6.8
173.11772	3.6
173.13281	10.1
175.11230	4.6
175.14816	3.8
177.12758	1.8
179.10660	1.4
181.10196	2.3
181.12234	2.5
183.11717	6.8
184.07327	11.3
185.09621	1.9
185.13269	4.9
187.13370	1.3
187.14865	4.3
189.11212	2.9
189.12746	3.2
191.10692	5.6
193.12183	1.5
195.11787	2.8
197.13289	3.6
199.14845	3.4
201.12683	3.2
205.16011	1.5
209.11678	16.7
209.13257	1.9
213.12706	2.9
213.16400	1.7
217.15942	1.5
223.14847	1.7
227.12746	8.0
227.16425	3.6
229.14259	6.9
237.16440	2.1
247.16951	1.5
253.14322	1.6
255.15953	7.7
259.20566	3.4
261.22269	5.0
267.15894	2.3
271.20651	2.1
273.22150	8.6
277.21808	2.1
279.23376	1.4
283.15405	54.6
284.15570	1.6
285.17065	2.1
289.21655	3.3
291.23129	2.4
297.22238	1.6
299.20071	3.8
301.16483	2.8
301.21625	3.4
311.19879	1.6
313.21515	2.5
315.23163	10.8
317.21146	3.6
317.24802	2.3
325.21204	1.4
329.24899	2.0
331.22357	1.5
333.24258	4.6
335.25876	19.0
353.24844	1.5
363.25281	1.6
373.23709	5.3
389.26913	2.4
391.25128	2.6
415.29990	2.4
423.32751	1.8
433.31180	9.8
451.32092	12.9
461.29276	1.7
469.33167	12.6
487.34241	8.1
515.37311	3.2
525.35797	27.3
526.35913	2.8
543.36859	100.0
544.37341	8.1
561.29736	2.4
561.37866	34.3
562.37610	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	757.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
55.01863	3.9
55.05508	26.6
57.03435	20.3
57.07083	3.6
57.29864	0.8
59.04996	1.0
65.03930	5.1
67.05500	100.0
69.03426	42.0
69.06689	1.0
69.07064	20.4
69.78264	0.6
70.03763	0.7
71.04987	10.9
71.08590	1.0
71.56383	0.8
71.56761	1.3
77.03937	1.3
79.05488	70.1
80.05836	1.1
81.03413	95.2
81.07050	91.3
82.07403	1.7
83.04967	4.5
83.08618	10.4
83.72568	0.7
85.02891	4.9
85.06535	2.3
86.09705	1.5
91.05476	40.3
92.05809	0.7
93.07037	67.0
94.07368	1.0
95.04959	10.4
95.08601	68.0
96.08909	1.3
97.02882	22.8
97.06509	4.1
97.10188	2.9
98.98452	1.7
99.04449	16.2
99.08086	1.3
103.03951	7.0
105.04491	1.2
105.07028	26.9
105.74973	0.7
106.07401	0.8
107.04963	1.2
107.08584	37.4
109.02876	14.0
109.06523	2.3
109.10149	28.2
110.93046	0.7
111.04461	1.3
111.08090	3.0
117.07005	7.9
119.08579	20.1
121.06508	0.9
121.10139	29.5
123.08064	1.9
123.11702	10.0
125.00011	1.2
125.09658	1.1
127.03910	21.7
129.05565	1.0
129.07022	1.8
130.07726	0.9
131.08554	16.2
133.06511	0.8
133.10123	13.7
135.08183	1.0
135.11685	20.5
137.09598	1.1
137.13237	2.0
143.08575	2.0
145.04973	1.4
145.10120	11.8
147.11687	9.9
149.09662	1.2
149.13252	10.4
151.11230	1.1
151.14848	0.8
153.12793	1.1
157.10126	1.0
159.11699	8.2
161.13243	7.4
163.11267	0.8
163.14798	3.7
165.12730	0.9
169.10245	0.8
171.11722	1.9
173.13266	7.6
175.11339	1.0
175.14825	3.2
177.16464	1.5
183.06570	2.0
184.07346	4.3
185.13339	1.5
187.11102	0.9
187.14867	3.4
201.07622	2.8
201.16418	1.6
204.68474	0.8
233.22623	0.9
241.16190	0.8
243.21051	5.5
259.20425	1.8
261.22128	18.3
262.22375	0.9
277.21729	1.7
279.23273	1.2
286.64413	0.8
294.00772	0.8
335.25778	87.0
336.26260	3.4
341.24927	1.1
363.25290	50.0
364.25656	1.9
369.24127	1.0
405.26462	3.3
443.27737	0.9
595.46100	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	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01862	7.4
55.05508	19.0
57.03438	14.8
57.07058	3.6
61.02908	4.7
65.03934	2.2
67.05504	61.9
69.03416	3.6
69.07068	19.1
69.32039	11.5
69.32463	7.7
71.01372	2.1
71.04981	6.4
73.16652	1.6
79.05491	51.0
80.20289	1.6
80.22383	1.8
81.03414	11.4
81.07054	60.7
82.07372	1.9
83.01317	3.8
83.04979	17.4
83.08620	9.0
85.02888	8.1
85.06548	2.5
86.09698	5.0
91.05472	28.3
93.07045	68.8
94.32201	1.7
95.04963	9.3
95.08604	44.2
97.02893	9.0
97.06504	7.6
97.10157	5.2
99.04461	4.5
105.07031	19.5
107.04925	10.0
107.08590	32.0
109.06528	4.9
109.10160	19.9
111.04440	18.8
111.08096	7.6
111.11708	3.8
117.07024	11.8
119.08589	19.6
121.06478	4.3
121.10147	40.6
123.08081	4.2
123.11623	3.6
124.99996	4.3
125.05990	3.5
125.09576	3.6
129.06927	3.0
131.08578	18.6
133.10133	12.8
135.08037	2.0
135.11688	27.6
136.23483	1.8
137.09575	2.7
139.11197	8.6
143.08586	2.6
143.53041	1.8
145.10118	20.6
147.08069	3.9
147.11690	4.9
149.09612	3.5
149.13274	4.9
153.12735	11.2
155.08461	2.5
159.11656	5.4
161.13275	3.9
163.11166	33.7
163.14832	2.7
171.11752	1.7
173.09634	5.1
173.13242	3.8
181.12233	13.5
184.07307	17.1
185.11787	4.4
187.14818	2.5
187.99011	2.0
191.10741	13.9
206.72369	1.7
209.11761	17.6
227.12723	22.5
243.21082	2.3
245.13841	14.3
245.56442	1.9
261.22107	16.6
265.14505	1.9
283.15393	38.3
301.16467	71.7
335.25803	100.0
336.26031	4.3
525.35681	5.1
543.36804	32.2
561.37848	88.6
562.38483	3.4
597.80963	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	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.0
53.03941	3.5
55.01859	4.1
55.05511	21.5
57.03437	13.6
57.07066	2.4
59.04982	1.9
60.08162	1.4
61.02922	3.6
65.03940	2.1
67.05504	49.4
69.03415	2.1
69.07066	11.0
69.34878	3.0
69.35304	6.6
71.01349	1.2
71.04991	2.4
72.65916	0.9
73.02925	2.5
73.06565	1.1
77.03935	1.0
79.05490	29.0
81.03412	3.7
81.07051	49.6
83.04970	3.9
83.08617	15.8
85.02896	4.6
85.06547	2.3
86.09703	6.2
91.03951	1.7
91.04899	1.6
91.05475	32.8
93.07040	40.9
94.57380	0.9
95.04969	6.5
95.08601	30.7
96.75144	0.8
97.02875	6.9
97.06517	4.4
97.10159	3.1
97.38817	0.7
99.00813	18.1
99.01462	1.2
103.05469	1.3
105.04526	0.9
105.06323	1.5
105.07026	23.3
105.07693	1.8
107.04935	6.3
107.08588	22.4
108.08977	0.9
109.02865	8.5
109.06529	3.3
109.10149	17.8
109.72527	1.0
111.04464	1.4
111.08097	3.7
115.03934	2.1
117.07011	6.5
119.04919	0.9
119.08575	15.2
121.06502	8.5
121.10130	14.0
123.04352	1.0
123.08075	2.0
123.11691	6.1
123.60814	0.9
125.00011	3.6
125.09580	1.0
126.52290	0.9
127.03919	4.3
128.06238	1.1
129.07047	1.0
131.08533	8.5
133.06490	2.5
133.10118	41.7
135.08081	1.4
135.11696	9.4
137.05916	2.1
137.09621	2.1
137.13274	1.1
139.07567	2.5
142.09906	0.9
143.08553	5.8
145.06453	1.1
145.10110	6.7
147.08064	1.2
147.11703	4.2
149.09631	1.6
149.13242	6.2
151.11183	11.8
157.10107	1.1
159.11678	4.7
161.09636	17.8
161.13258	1.9
163.11159	1.3
163.14793	2.9
165.09145	1.2
171.08038	4.1
173.13203	4.1
175.14786	0.9
177.16371	1.0
179.10661	9.9
179.14235	1.1
184.07338	20.0
187.14832	2.1
189.09074	7.9
197.11761	3.1
201.16354	1.3
207.10213	3.8
213.56953	1.0
225.11214	16.5
227.12683	1.3
232.76636	0.9
243.12328	3.6
243.21037	5.5
259.20502	1.2
261.22113	16.8
277.21692	1.2
281.13754	4.4
299.14883	100.0
300.15369	1.9
315.23123	2.2
317.24725	2.4
335.25787	73.9
336.25983	2.8
376.21518	1.0
449.30396	1.9
467.31372	5.4
485.32578	1.7
489.86115	0.9
513.35480	3.2
515.37311	1.5
531.36969	1.9
541.34943	5.0
559.36304	33.6
560.36566	2.1
577.37085	1.2
645.57428	1.0
712.41272	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	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.4
53.03938	3.7
54.38630	0.9
55.01867	2.0
55.05271	1.5
55.05509	18.5
56.64828	1.0
57.03437	12.5
57.07058	3.7
59.04995	1.8
60.08168	1.2
61.02902	3.4
65.03925	2.6
65.90752	1.0
66.80879	0.8
67.05504	50.1
69.03397	1.8
69.07072	10.8
71.04961	3.1
71.53098	1.3
73.02926	1.7
73.74683	0.9
77.03935	1.2
79.05022	1.4
79.05489	32.3
81.03403	4.1
81.07053	52.1
83.04982	3.7
83.08614	13.1
85.02893	4.3
85.06528	2.8
86.09713	5.2
91.03928	1.8
91.05473	29.3
93.07037	43.4
95.04979	5.3
95.08605	33.3
97.02867	5.5
97.06522	4.7
97.10172	2.9
99.00806	13.7
103.05453	1.8
105.07027	22.9
107.04917	4.9
107.08589	24.5
109.02857	10.0
109.06507	2.5
109.10151	17.6
111.08106	5.0
115.03915	2.2
117.06204	0.9
117.06978	4.8
119.08575	14.8
121.06514	5.4
121.10132	13.9
123.04447	2.1
123.08036	1.6
123.11700	7.6
124.99995	4.5
125.09589	1.5
127.03905	3.7
129.06947	1.4
131.08551	8.7
133.09123	2.3
133.10117	35.9
135.11682	9.8
137.06021	2.1
137.13261	1.2
139.07512	2.3
143.08537	4.6
145.06436	1.4
145.10112	5.1
147.08054	1.1
147.11723	5.8
149.09570	1.7
149.13278	6.0
151.11179	10.8
159.11665	5.3
161.09624	15.0
161.13243	3.5
163.14804	3.6
171.08046	2.3
171.91647	1.0
173.13216	4.1
177.07777	1.4
179.10640	9.6
181.12103	1.1
184.07349	17.4
187.14819	2.8
189.09117	6.3
197.11697	2.5
207.10133	3.3
225.11201	11.6
227.12787	1.1
236.79588	1.2
243.12300	5.1
243.21051	5.7
261.22141	18.8
274.17932	1.2
279.23035	1.2
281.13828	3.7
287.23810	1.3
299.14886	85.2
302.17630	1.1
315.23117	3.3
317.24695	4.2
335.25787	100.0
336.26071	2.1
358.20593	1.2
449.30084	2.4
467.31668	6.2
485.32346	2.2
513.35675	2.5
515.37152	1.2
531.37079	2.1
541.35138	8.5
559.36285	51.3
614.43988	3.5
640.45551	1.3
658.46368	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	756.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	9.0
56.05019	2.4
57.03424	5.1
57.07069	18.3
67.05501	13.9
69.07064	6.2
71.04973	2.5
71.08613	11.1
71.51718	3.8
75.80183	2.4
78.24650	2.2
79.05476	8.6
81.03413	6.7
81.07047	19.5
83.08604	6.1
85.10178	6.2
86.09687	6.3
86.51705	2.5
91.05460	5.7
93.07024	9.1
95.04960	3.4
95.08601	12.3
97.10147	3.3
103.05487	3.8
105.07015	7.0
107.04942	2.8
107.08595	3.7
108.09969	2.4
108.10648	2.8
109.10131	7.8
111.73506	2.1
119.08531	3.5
121.10155	4.7
123.04441	3.8
123.11687	3.5
129.07011	3.0
131.04887	2.4
131.08578	2.6
133.10132	4.0
137.05933	5.6
146.06010	2.8
149.05991	12.6
149.13194	2.4
152.37033	2.5
153.78517	2.6
157.06433	3.9
160.07593	3.9
161.05923	6.7
162.05530	5.6
163.07509	2.5
164.07057	35.8
172.07605	4.5
173.05994	16.6
174.94612	3.3
175.06239	4.2
175.07587	5.6
176.07039	9.0
177.07846	62.9
184.07314	14.7
187.07469	7.2
190.08636	23.5
191.09459	5.7
199.07507	4.7
202.08627	7.1
203.09308	3.5
204.10124	5.7
211.10115	2.3
214.08662	3.1
215.09386	7.6
216.10178	7.8
259.42856	2.9
261.22168	3.2
267.15887	9.3
274.18018	60.5
278.16693	2.5
300.15887	3.8
302.17496	89.5
313.27405	4.3
320.18555	51.9
332.18396	3.7
335.25732	11.2
346.20279	17.0
358.20126	34.9
359.20688	5.4
364.20969	3.4
376.21173	26.2
394.22308	4.2
402.22577	3.1
456.17685	6.1
512.47375	2.3
527.37286	7.1
559.36713	3.3
614.44159	100.0
632.45026	8.1
640.46008	25.6
658.46716	81.7
659.47083	3.4
712.41779	93.7
713.41290	4.8
756.44696	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
55.05512	16.8
57.03444	8.4
67.05504	21.2
69.03404	4.4
69.07069	10.5
70.06587	11.8
71.04990	4.0
71.09277	4.2
79.05486	19.6
81.03416	44.6
81.07051	20.7
82.76205	1.4
83.04969	4.9
83.08620	16.9
84.04453	2.4
84.08148	1.9
85.02889	3.5
85.06557	2.7
85.80003	1.5
86.09690	4.3
86.26605	1.7
91.05480	18.0
93.07030	18.1
95.04967	22.6
95.08610	14.2
97.02866	3.2
97.06528	2.8
97.10172	15.8
105.01876	2.2
105.07022	14.0
107.04948	12.7
107.08601	10.7
109.02902	1.6
109.06502	8.7
109.10146	7.1
111.04408	2.1
111.08054	4.8
117.07002	4.0
119.04929	2.5
119.08565	9.4
121.06527	11.5
121.10140	7.1
122.91509	1.6
123.08072	4.8
125.09621	10.0
127.03944	3.2
129.06998	6.9
129.10208	2.5
131.08554	10.5
133.06516	4.4
133.10132	6.8
135.04454	1.6
135.08044	6.2
135.11583	2.4
137.05983	2.7
137.09557	2.2
145.06480	6.7
145.10097	6.5
147.04387	2.0
147.08057	5.1
147.11653	6.3
149.06058	2.3
149.09610	5.0
149.13239	1.7
153.09149	2.9
155.08429	2.4
157.10152	6.4
157.40747	1.5
159.08020	4.0
161.09691	1.6
163.11176	4.0
171.11673	3.2
173.13251	2.3
175.11150	5.9
189.09587	1.7
189.11159	7.7
193.12221	14.4
199.11093	2.0
211.13084	2.1
215.14279	1.7
219.13814	2.0
233.15425	2.9
255.13760	2.7
266.65463	1.9
267.15921	37.7
273.14777	5.9
337.70245	1.9
349.21722	4.8
367.22723	16.5
385.23676	23.0
403.24966	8.2
441.26318	7.1
459.27399	100.0
477.28452	90.4
478.28687	2.1
491.29849	11.5
509.30829	6.3
567.29120	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	754.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
55.01865	2.4
55.05512	15.8
57.03440	1.6
57.07075	7.7
61.02913	1.6
67.05505	33.6
68.64038	1.4
69.03423	10.0
69.06683	2.2
69.07065	39.8
70.06586	13.4
71.04971	5.3
71.08616	3.7
72.08138	1.7
73.02901	2.5
75.61520	1.4
79.05486	14.1
81.03400	8.1
81.07051	67.1
83.04938	2.1
83.08615	20.8
84.08118	2.9
85.02902	16.7
85.06544	1.9
85.10152	1.6
86.09695	4.9
87.00816	4.8
91.05477	10.8
93.07034	38.8
95.04955	5.7
95.08601	88.7
97.02866	7.4
97.06530	5.0
97.10146	11.5
98.97585	2.3
99.08086	2.8
105.01859	18.8
105.07022	18.1
107.07880	3.0
107.08584	42.0
109.02873	4.5
109.06510	3.7
109.10151	60.0
111.08069	4.3
111.11728	7.6
113.09606	2.9
116.07096	2.2
119.08569	11.5
120.08135	2.1
121.06516	1.8
121.10139	27.1
121.50577	1.7
123.11697	33.8
125.09623	2.9
125.13277	2.9
127.03917	12.2
127.11176	1.9
127.52950	1.5
131.08586	2.4
133.10135	8.5
135.11682	22.7
137.05972	4.7
137.13217	9.5
145.04948	5.8
145.10016	2.2
147.07954	1.6
147.11658	13.7
149.13254	40.8
151.11166	2.0
151.14775	3.4
153.12764	1.5
159.11716	1.8
161.09598	2.4
161.13177	7.8
163.07469	1.7
163.11186	1.6
163.14822	33.9
165.16356	2.5
167.14291	2.9
175.07527	1.7
175.14819	4.0
177.16406	14.2
183.69650	1.5
185.09705	1.9
189.16359	6.9
191.17931	10.2
203.17998	8.8
209.18976	2.1
217.19504	12.5
220.18175	1.9
221.18977	2.7
229.14337	1.5
231.04974	6.6
249.06126	8.4
273.25745	39.2
291.26788	100.0
292.27277	2.5
333.27805	2.1
381.27979	2.3
399.29236	3.0
453.32288	1.8
503.29892	5.5
521.30975	1.9
539.31897	5.8
584.44806	1.6
592.35352	9.2
754.39459	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	748.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
54.24169	0.7
55.01852	0.9
55.05510	1.3
56.05013	1.0
57.03421	0.8
57.07056	0.7
65.03925	1.1
67.05495	1.2
69.03422	1.5
69.07054	1.6
69.29430	7.3
70.06589	9.8
71.08615	0.9
72.08134	3.1
73.02892	1.8
75.04477	0.7
77.03940	1.0
78.04699	2.1
79.05485	5.8
81.03413	28.7
81.07027	2.3
84.04502	1.8
84.08131	3.3
85.02894	2.5
86.09702	6.0
89.03896	3.3
90.12453	0.6
90.86534	0.6
91.05476	13.4
93.03369	0.9
93.07041	7.9
94.04168	1.7
95.04967	7.4
95.08588	1.5
97.02899	1.1
98.21474	1.1
98.97581	1.5
101.07158	1.1
103.04803	0.9
103.05464	11.6
105.03370	1.0
105.04533	1.4
105.07015	2.7
106.04165	1.9
107.04958	16.7
107.08569	0.8
109.06490	1.4
109.10173	1.4
111.04455	1.2
115.03975	0.7
115.05444	11.3
116.98636	1.1
117.03379	7.9
117.07018	8.6
118.04185	0.9
119.04928	4.8
119.08562	1.2
120.08103	2.7
121.06503	47.5
121.10094	1.0
122.03644	2.3
123.04422	8.7
123.11647	0.8
124.05227	3.0
125.05981	2.8
128.06236	0.8
128.98653	0.7
129.07014	1.5
129.10202	1.5
131.04924	9.6
131.08562	1.0
132.05722	1.3
133.02846	1.1
133.06503	2.2
134.03658	1.0
135.04413	3.7
135.08087	1.1
136.05183	1.2
136.07585	2.2
137.05977	27.9
138.09174	0.6
138.91962	0.7
140.04672	2.5
143.04941	4.7
144.05704	3.1
145.02846	18.0
145.06480	13.4
146.03604	2.9
146.06004	1.3
147.04416	3.5
147.08060	1.5
148.05182	1.4
148.07497	0.9
149.06000	9.7
151.03935	4.6
151.07570	4.2
152.04707	1.3
152.07077	1.2
153.05460	3.4
153.09111	1.1
155.04909	0.9
155.05998	2.0
155.07024	2.0
156.05685	1.0
157.06453	0.7
158.03590	0.9
158.99663	1.0
159.04449	1.2
160.05199	11.9
161.05977	10.6
162.06749	0.9
163.03902	6.3
163.07552	4.8
164.07025	3.2
165.05486	2.4
165.09077	0.8
167.07034	100.0
168.07379	1.9
170.05969	0.8
172.05247	4.4
173.04625	1.1
173.05991	11.6
174.06604	1.0
175.04002	3.0
175.07544	37.6
176.04704	1.1
177.00708	0.8
177.05470	34.3
177.08946	1.4
178.06049	0.7
179.07098	3.8
179.08482	1.0
180.07852	0.7
181.04936	3.6
181.06348	1.0
181.08617	2.9
182.08121	0.9
183.06538	4.3
185.03821	0.8
187.07547	26.1
189.05444	1.2
189.09024	0.8
190.06285	4.5
191.07024	8.2
191.08591	1.2
192.07898	1.0
193.08603	1.1
194.08151	1.4
195.06543	2.8
195.08090	0.7
201.05461	7.5
201.09198	0.9
203.07019	2.5
205.06639	1.4
205.08582	8.3
206.07286	1.1
207.06468	2.1
207.08083	3.7
207.09766	0.7
209.08080	12.6
210.08815	1.0
211.07533	1.2
215.83128	0.7
217.06566	0.9
217.08551	2.6
218.08072	2.8
219.06390	4.7
219.08333	1.3
221.06027	0.9
221.09673	0.8
223.07457	1.4
224.08304	1.8
228.06593	0.7
230.08160	1.5
231.06456	4.3
233.05923	1.2
233.08075	10.2
234.06720	2.9
235.07480	6.6
235.09666	12.7
236.08112	0.7
237.02829	0.9
237.09154	2.0
246.06932	0.8
247.07451	1.5
248.08801	1.4
249.02875	1.6
249.05392	1.2
249.09142	3.9
251.07037	1.8
252.07637	1.4
253.08603	1.0
256.07300	0.8
257.08047	0.7
260.09271	1.6
262.06189	0.8
262.10641	0.9
263.06931	3.4
263.09396	0.8
264.07803	2.1
265.08578	2.4
266.09326	2.2
267.10165	4.7
268.10751	0.8
271.09830	1.1
276.08627	0.7
277.08484	3.3
278.05652	0.8
278.09778	0.8
279.06775	0.9
279.10013	1.4
281.08255	1.3
281.11703	2.3
283.09439	0.9
289.10681	4.8
290.10150	3.4
292.07526	0.8
293.08032	1.6
294.08841	1.5
295.09583	5.3
297.11340	0.9
299.09183	2.6
307.09613	2.6
309.11069	3.9
311.09158	0.8
314.11224	1.0
323.08923	1.4
325.10806	1.8
326.11536	2.6
327.12299	6.3
328.11731	1.4
329.13828	1.5
336.12262	2.8
338.13806	1.3
339.12268	6.0
341.13818	8.9
349.15323	1.5
350.13867	1.9
351.08572	0.7
353.10080	2.6
355.11624	1.8
356.14777	1.0
357.13382	2.0
360.15628	1.5
365.10269	0.7
366.13446	3.0
367.11642	4.9
368.15213	3.1
369.12982	1.1
370.12601	1.0
370.16745	1.3
381.23141	1.3
384.14310	2.1
385.12970	1.9
387.14398	3.6
388.14993	2.7
396.14523	2.9
398.15976	1.5
400.13885	1.3
403.23413	9.7
403.73468	3.7
407.12332	0.9
414.15573	7.3
460.17560	1.0
463.18408	2.9
488.16971	2.0
490.18674	3.6
492.20303	1.5
502.18655	3.6
504.20203	2.2
506.21628	1.0
520.19708	18.6
521.19977	1.4
522.21228	7.1
524.22479	0.7
592.39172	0.7
700.27765	1.3
748.29938	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	748.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
53.59298	0.7
55.01857	1.5
55.05503	0.8
56.05012	1.2
65.03929	2.3
66.10636	0.8
67.05482	1.0
69.03423	1.6
69.07061	0.8
69.44811	0.8
70.06589	12.0
71.51726	0.9
72.08148	4.9
73.02904	0.9
78.04694	2.0
78.93675	0.8
79.05489	6.6
81.03414	26.6
81.07059	1.1
84.04492	2.0
84.08147	5.6
85.02905	1.8
86.09704	8.5
88.03971	1.5
88.78226	0.9
89.03909	2.6
91.04984	1.3
91.05483	13.7
93.03387	1.5
93.07044	8.4
94.04153	1.3
95.04970	7.1
97.06493	0.9
98.97617	1.0
102.05531	1.8
103.05471	11.0
105.03400	0.9
105.06989	2.4
106.04159	2.5
107.04955	16.5
109.02851	1.4
109.06505	2.0
109.10132	0.9
110.07165	2.2
111.04430	2.3
115.05460	12.1
117.03379	6.8
117.07041	6.4
118.04183	2.0
119.04937	5.9
119.08603	1.3
120.05709	0.9
120.08126	4.1
121.06502	45.0
121.10152	0.9
122.03633	2.4
123.04415	5.8
124.05182	3.8
125.05952	3.1
129.10216	3.1
130.10579	1.1
131.04932	12.9
132.05695	2.2
133.02872	1.5
133.06477	2.5
134.03625	1.2
134.07286	0.9
135.04411	3.3
136.07568	2.3
137.04921	1.7
137.05974	33.3
138.06297	1.1
140.04660	2.5
143.04922	5.4
144.05696	1.9
145.02834	15.2
145.06490	14.7
146.03654	4.0
147.04378	3.4
147.08051	2.4
148.05154	1.9
148.07610	1.0
149.05991	10.7
151.03923	5.3
151.07516	5.0
152.04645	1.7
153.05443	3.3
153.09131	1.9
155.05980	1.3
155.07066	1.9
156.05696	1.1
159.04382	1.7
159.09146	1.5
160.05200	10.7
161.05991	10.3
163.03888	4.3
163.07555	8.9
164.07028	1.8
165.05539	1.6
165.09161	0.9
167.07034	100.0
168.30255	0.9
172.05220	5.1
173.05974	9.6
175.03943	2.1
175.07542	34.1
176.04654	1.0
177.05460	30.2
177.08980	1.8
179.06999	3.3
179.08420	1.2
180.07811	1.1
181.04955	8.4
181.08588	3.5
183.06523	2.9
186.02882	0.8
186.05383	1.1
187.05911	1.3
187.07539	20.9
189.05420	2.0
189.07037	1.6
189.08992	1.4
190.06265	4.8
191.07021	13.8
192.07780	1.2
193.08572	1.6
195.06416	2.0
197.08006	0.8
201.05426	7.1
201.08832	1.1
203.06947	3.3
205.08601	6.3
207.06406	1.2
207.08112	3.1
209.08063	19.7
217.08580	3.7
218.08025	2.3
219.06454	3.4
219.08240	2.2
221.06032	1.3
221.09663	1.4
223.04222	1.3
223.07420	1.8
230.08116	2.2
231.06358	4.5
233.05890	1.5
233.08054	11.0
234.06726	2.9
235.07460	5.5
235.09650	13.2
236.07965	0.9
237.09143	1.8
242.05707	0.9
247.07465	1.6
248.08865	1.3
249.09065	3.6
251.07076	1.2
251.10594	1.1
252.07704	2.0
253.08624	1.0
262.06488	1.4
262.10696	1.2
263.06958	3.5
263.09366	1.2
264.07803	3.0
265.08548	2.5
266.09509	1.9
267.10129	4.3
269.08069	1.2
271.09650	1.2
277.08630	2.6
278.05679	1.1
279.09985	1.6
280.07343	1.1
281.07770	1.3
281.11536	1.5
289.10690	3.5
290.10251	3.5
293.08047	1.3
294.08801	1.3
295.09665	6.5
297.11111	1.2
299.09180	2.6
307.09555	2.2
309.11108	3.9
323.09137	2.0
325.10623	2.1
326.11343	2.4
327.12207	6.2
328.11795	1.2
329.13834	1.5
336.12247	2.7
338.13770	1.3
339.12317	6.4
341.13715	7.1
350.13846	2.4
353.10162	3.1
355.11536	1.3
357.13373	2.1
366.13290	3.0
367.11710	4.1
368.15045	4.6
370.12396	1.0
370.16620	2.1
383.11099	1.2
384.14429	1.1
385.12994	1.3
387.14276	3.9
388.15164	1.4
396.14331	3.8
398.16165	1.1
400.14011	1.0
403.23373	2.8
403.73352	1.5
414.15518	8.2
417.15506	1.1
463.18506	0.9
488.17514	1.7
490.18344	3.8
490.61279	1.1
492.19958	1.2
502.18320	3.4
504.19946	1.9
520.19727	19.3
521.19940	1.3
522.21344	9.2
552.21393	0.9
712.27222	1.0
748.29553	3.4
759.53320	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	748.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.64658	0.5
55.01878	3.2
55.05506	1.1
56.05017	1.2
57.03428	1.1
65.03939	4.2
67.05493	1.6
68.74084	0.5
69.03452	1.5
69.07074	1.1
70.05986	0.6
70.06592	11.3
71.05002	0.7
72.08147	4.7
73.84363	0.6
75.04482	2.4
77.03939	0.9
78.04709	2.5
79.05490	6.4
81.03391	3.0
82.04192	1.7
84.04497	1.9
84.08138	3.7
85.02903	5.4
86.09694	6.0
89.03902	0.7
91.05473	11.5
93.03395	8.7
93.07035	4.1
95.04959	6.7
97.02892	1.1
97.06519	2.8
101.07159	0.7
102.05515	1.0
103.05460	17.6
105.03387	1.9
105.07029	9.2
106.04173	14.3
107.04961	12.1
108.02129	1.0
109.02889	0.7
109.06508	1.6
110.03641	2.0
110.07153	1.7
111.04418	2.0
115.05460	6.5
117.03391	1.7
117.07011	4.1
118.04175	4.4
119.04940	2.9
119.08579	0.8
120.05672	0.8
120.08095	2.8
121.06496	19.7
123.04407	5.5
124.05192	2.6
125.05975	7.2
127.03942	1.0
128.06201	0.9
129.07007	1.3
129.10262	2.1
130.04114	1.5
130.04993	1.1
131.04929	19.9
131.08545	1.5
132.05692	2.1
133.02850	2.1
133.06480	9.3
134.03636	2.9
135.02560	0.7
135.04420	2.1
135.08046	2.5
136.05182	0.7
136.07643	0.9
137.05957	8.2
138.03098	0.9
138.06760	0.9
139.07526	2.1
141.07013	1.2
142.02594	1.4
143.04993	1.4
143.06036	0.6
144.05678	1.7
145.02896	3.5
145.06454	5.8
146.07272	0.8
147.04372	3.0
147.07986	2.1
148.05191	11.9
149.05974	28.2
151.03918	3.5
151.07530	3.4
152.04651	1.9
152.07063	1.2
153.05495	4.2
153.09082	7.7
155.07048	1.4
157.06468	1.2
159.04404	1.9
159.08052	2.2
160.05193	1.3
161.05965	9.8
162.01286	1.5
163.02121	1.0
163.03928	2.3
163.07536	22.2
164.04628	0.9
165.05457	2.1
165.09065	1.1
167.07031	63.9
168.07387	1.0
169.06372	0.7
171.04314	0.9
171.06544	4.1
173.05997	5.0
175.07520	4.3
176.04669	2.8
177.05469	25.5
177.08887	1.0
178.06042	0.9
179.01532	1.3
179.07033	1.5
179.08493	0.9
180.18445	0.6
181.04947	71.2
181.08519	18.4
182.05295	1.0
182.08997	0.8
187.07538	3.5
189.05449	1.3
189.08937	0.8
190.00841	1.6
190.06204	1.4
191.07019	98.0
192.07570	2.9
193.04971	1.8
193.08591	5.2
195.06499	4.8
201.05428	3.3
203.06987	2.8
205.08592	4.5
207.06459	3.5
207.08275	1.0
207.10365	1.2
208.02003	1.4
209.08076	100.0
210.08492	1.5
213.05492	0.7
217.08521	2.3
219.10112	6.4
223.04224	17.8
225.07535	1.7
226.62111	0.8
231.06512	1.5
233.08063	5.3
235.07533	1.3
235.09608	5.4
236.08218	0.8
237.09200	1.4
241.08580	0.7
245.08076	2.2
247.07613	0.8
249.08946	0.8
253.08661	0.8
255.10056	1.1
263.09146	24.2
264.07715	1.1
265.08557	0.8
267.10214	3.2
269.11813	0.8
279.10196	0.7
283.09494	0.9
292.07059	0.7
293.07861	0.7
295.09692	1.2
297.11145	1.8
307.09579	1.8
309.07318	0.7
312.09064	2.2
323.09103	0.9
324.09784	1.0
325.10605	4.5
327.12344	0.8
329.13763	1.3
331.11786	1.2
337.10831	1.9
339.12088	1.8
353.10202	0.9
355.11716	1.0
357.13324	7.2
358.14172	0.8
358.39041	0.7
359.14883	1.3
367.11685	2.2
369.13385	1.7
371.14914	1.2
385.08014	0.9
385.12781	13.2
386.12799	0.7
387.14236	1.9
389.15781	0.7
399.14243	3.4
417.15439	16.2
609.23694	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	748.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01872	3.0
56.05013	0.7
65.03933	5.2
67.05505	2.6
69.03425	2.1
70.06587	7.3
71.05005	0.6
71.06944	0.6
71.10389	0.5
71.60191	0.8
72.08157	2.4
75.04484	1.7
77.03934	0.9
78.04702	2.2
79.05483	6.7
81.03407	2.3
81.07050	1.0
82.04190	0.7
83.05002	0.8
84.04498	2.0
84.08152	3.1
85.02909	5.5
86.09691	3.6
86.49416	0.5
87.04510	0.5
88.04001	0.7
89.03928	1.0
89.06023	0.7
91.05480	9.6
93.03397	7.4
93.07042	3.5
95.04962	6.3
97.02899	0.5
97.06532	2.3
102.04678	0.7
102.05618	0.7
103.05462	21.9
105.03350	1.4
105.07021	7.7
106.04165	13.9
107.04958	11.3
109.06505	2.0
110.03662	2.0
110.07183	0.8
111.04447	1.7
115.05437	6.2
117.03362	1.8
117.07020	5.6
118.04157	4.3
119.04957	3.3
120.05685	0.9
120.08094	2.0
121.06503	17.2
122.03638	0.8
123.04420	5.7
124.05239	2.9
125.05992	8.5
128.06197	0.8
129.06993	2.1
129.10208	1.8
130.04144	1.8
131.04922	21.4
131.08600	1.2
132.05684	2.0
133.02850	2.8
133.06487	9.1
134.03625	3.2
135.04399	2.4
135.08028	1.8
137.05975	7.5
139.07533	2.0
141.10243	0.5
142.02580	1.7
143.04933	1.4
144.05699	1.8
145.02837	4.5
145.06468	5.3
146.03604	1.2
146.06024	0.6
147.04436	3.0
147.07988	2.2
148.05193	11.3
149.05980	23.3
151.02101	0.8
151.03920	4.8
151.07532	3.1
152.04677	2.0
153.05484	4.3
153.06703	0.7
153.09105	7.8
155.05989	0.8
157.06496	1.7
159.04396	1.5
159.08029	1.9
160.05206	0.9
161.05975	11.2
162.01363	2.1
163.02359	0.5
163.03929	2.6
163.07549	24.5
165.05470	1.3
166.04909	0.5
166.06285	0.6
167.07031	62.5
168.07396	2.1
168.10345	0.6
171.04298	0.6
171.06572	3.7
173.05983	6.8
174.06606	0.8
175.07504	4.2
176.04662	2.6
177.05470	24.1
177.09056	1.0
178.05827	1.3
179.07076	1.0
179.08562	0.9
180.07800	1.3
181.04950	79.8
181.08521	17.2
182.05342	1.8
183.06512	0.8
187.07562	3.4
189.05449	1.0
189.07143	0.9
189.09039	1.3
190.00874	2.0
190.06200	1.1
191.07025	100.0
192.07654	3.3
193.04973	1.7
193.08543	4.3
195.06493	4.6
201.05475	2.3
203.07013	3.4
205.08577	3.4
206.07474	0.7
207.06516	1.9
207.10196	2.4
208.01903	1.6
209.08080	89.4
209.47882	0.6
210.08452	2.5
217.08586	2.6
219.08136	1.3
219.10179	5.9
221.07947	1.5
223.04228	20.5
223.06313	1.1
223.07578	0.9
223.09718	0.9
224.08200	0.8
225.07507	1.6
225.09502	0.7
229.08784	0.6
231.06444	0.8
233.08035	5.4
234.06700	1.0
235.07402	2.4
235.09645	6.9
237.09116	0.9
245.08044	2.4
247.07658	0.8
249.05693	0.8
249.09036	0.9
252.07808	1.0
257.08203	0.7
263.09152	25.5
264.07501	0.7
265.08633	1.6
267.10217	4.2
267.53030	0.6
269.08023	0.7
270.08887	0.7
275.06876	0.7
277.08359	0.8
279.10193	1.8
281.08124	1.3
291.06503	0.7
293.08017	0.6
295.09647	1.3
297.11188	2.2
299.09296	0.7
307.09790	1.9
309.07620	0.5
312.08932	3.3
313.10690	0.6
323.09195	1.0
325.10684	5.1
327.12338	1.2
329.13776	1.7
330.09903	0.9
331.11566	0.7
337.10791	1.3
339.12250	2.2
344.12369	0.6
347.28018	0.6
355.11786	0.9
357.13284	7.1
359.14700	1.7
367.11673	2.8
369.13113	1.1
371.15054	1.2
381.13339	0.9
385.12793	14.9
387.14273	2.4
389.15884	1.0
399.14484	2.8
417.15430	15.8
418.15710	1.2
559.16418	0.8
591.18225	1.2
609.23163	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.05493	2.0
57.03423	1.8
57.07071	1.6
61.02924	6.1
67.05505	6.1
69.03436	4.5
69.07063	1.6
71.08620	0.8
73.02912	3.6
78.69249	0.6
79.05479	4.1
79.28446	0.5
81.03416	4.1
81.07052	6.5
83.08609	2.4
85.02893	7.3
85.06597	0.7
87.04442	1.1
87.82929	0.6
89.06025	2.4
91.03955	3.3
91.05483	3.2
93.06490	0.7
93.07053	7.6
94.07392	0.7
95.04964	1.9
95.08618	5.7
97.02885	4.1
97.06487	0.8
99.04446	1.1
101.02368	2.3
105.07009	3.7
106.55141	0.6
107.08588	3.9
109.02882	1.2
109.10147	2.5
117.07031	1.0
119.08592	4.2
121.10151	3.6
123.11691	1.2
127.03902	0.8
128.06221	0.6
129.07051	0.8
131.08575	2.3
133.08595	1.6
133.10129	4.0
134.77660	0.6
135.11700	1.2
143.08505	0.8
145.10149	2.5
147.07953	0.7
147.11673	1.5
149.09641	0.8
151.07585	0.8
153.50038	0.6
157.10121	2.4
160.12042	1.1
165.07268	0.7
165.09026	1.0
167.10677	1.7
168.10979	0.6
171.11679	0.7
173.13258	0.6
175.11115	0.9
175.14801	1.1
176.07068	5.4
177.07443	0.9
181.12305	0.7
184.07338	1.4
184.98195	0.6
185.04161	0.9
190.08598	0.9
193.12259	1.1
203.05396	0.8
211.13258	1.1
221.15421	2.8
233.15260	0.6
240.10228	2.0
241.10405	0.8
243.08450	2.7
246.23856	0.7
251.12512	5.4
254.11835	1.0
264.10345	0.7
265.10571	0.9
278.11588	0.8
279.12378	1.0
280.13046	0.8
293.13651	0.7
307.15088	0.9
335.25577	0.8
351.25894	0.8
354.20627	0.8
381.22406	0.7
469.20438	4.6
519.29321	7.3
729.05078	0.7
747.42694	100.0
748.43207	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	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.05503	2.1
57.03421	2.5
57.07055	1.3
61.02919	5.2
67.05493	4.7
69.03410	3.9
69.07060	11.4
69.33686	8.7
69.34101	2.0
73.02904	4.4
79.05479	3.8
81.03407	3.9
81.07041	5.3
83.08611	2.4
85.02898	5.5
86.09715	2.1
91.03954	2.4
91.05463	6.5
93.07041	8.3
94.85053	1.1
95.04971	2.7
95.08599	4.5
97.02880	3.4
97.06466	1.2
99.04434	1.8
101.02377	1.5
103.03912	1.2
104.98104	1.1
105.07031	7.1
107.08595	6.1
109.06514	1.3
109.10189	2.1
111.04481	2.7
115.05489	1.0
117.07025	2.0
119.08584	7.5
121.10122	3.8
123.08073	1.7
123.11708	1.5
125.00036	2.2
127.03912	1.3
129.09102	3.6
131.08572	2.7
133.10126	4.0
135.11746	1.7
137.09641	1.4
145.10117	4.1
147.08163	1.4
147.11703	1.9
151.07527	3.3
157.10065	2.0
164.07037	1.3
165.09157	3.0
166.09499	1.5
176.07088	8.4
184.07320	6.8
185.04115	1.4
187.66133	1.1
193.12254	3.6
203.14264	1.8
208.45410	1.2
211.13252	1.7
213.27048	1.1
221.15349	8.6
222.15797	2.5
240.10233	3.4
243.08447	1.9
251.12538	3.1
255.12213	1.9
264.10138	1.3
279.12598	1.8
280.13245	2.0
307.14993	1.8
354.20462	1.3
381.22513	1.2
445.25711	1.3
446.26691	1.2
463.26563	1.5
469.20416	9.8
519.29456	4.7
539.33643	1.5
729.46600	2.2
747.42700	100.0
748.43011	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	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42057	0.9
53.03944	1.3
55.05505	2.6
57.03443	1.8
60.63956	0.8
61.02921	4.9
67.05503	7.6
69.03426	2.9
69.07055	2.1
71.04984	1.0
71.52230	1.5
73.02921	3.7
79.05481	5.1
79.49297	0.8
81.03426	2.0
81.07054	5.8
83.08569	0.9
85.02893	6.5
86.09695	2.8
91.03976	4.0
91.05486	2.7
93.07031	4.7
95.08602	5.5
97.02869	4.2
99.04465	0.9
101.02363	1.3
105.07037	2.9
107.04940	1.2
107.08595	3.2
109.10155	2.2
113.37824	0.9
119.08598	3.0
121.10147	3.2
125.00027	1.8
127.03915	1.2
131.08540	1.5
133.10129	1.7
135.11711	2.6
145.10126	2.1
163.11195	2.8
173.13202	1.0
176.07072	1.5
184.07330	9.1
193.26704	0.9
210.48605	0.8
227.12784	1.3
243.08423	1.6
249.10936	11.6
305.13739	2.0
335.25833	1.0
375.14349	0.8
467.19269	4.2
484.89420	0.9
505.08099	1.0
519.29071	7.8
548.39276	1.6
732.24518	1.0
745.41235	100.0
746.41180	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	746.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
53.39252	0.4
63.06668	0.4
67.05493	0.6
69.03426	1.8
70.06591	4.6
70.88771	0.9
70.89138	0.8
72.08144	1.5
79.05486	1.0
81.03416	0.8
84.04501	0.9
84.08121	1.4
85.02893	1.6
85.06559	0.5
86.09696	1.3
91.05458	1.6
93.07078	0.5
95.04961	0.6
97.02889	1.2
97.06548	0.6
103.05441	0.6
105.06992	0.4
107.04951	2.2
109.02833	0.5
115.05466	0.4
116.07020	0.4
119.04948	0.8
120.08070	0.6
121.10168	0.4
123.04391	1.7
124.05165	0.5
127.03923	0.9
129.10225	1.0
131.04939	1.5
131.08556	1.1
134.06012	0.9
135.04387	0.9
137.05994	3.0
141.10239	0.6
143.04939	0.9
145.02805	0.7
145.04956	0.5
145.10123	0.7
146.06035	0.8
147.04402	3.9
149.05983	1.4
151.07512	0.4
152.07047	1.5
154.08656	0.7
161.05943	1.2
162.05511	1.9
163.06342	0.4
164.07094	3.9
165.07095	0.4
167.07027	24.2
168.07275	0.4
169.09619	0.4
171.04402	0.4
173.05983	0.7
175.03891	5.0
176.07077	0.9
177.05475	1.4
179.08562	1.7
181.04944	1.4
181.06389	0.5
189.06973	2.4
191.07056	0.5
193.06619	0.4
195.08031	0.6
205.06502	1.6
206.07265	1.4
207.06451	1.6
207.08073	6.4
210.06790	0.8
211.07484	0.7
212.07033	0.4
217.06461	1.5
218.07248	0.4
220.05241	1.0
221.05971	2.8
223.07538	1.1
224.08279	1.1
225.09218	0.5
233.05991	1.1
234.06781	5.0
234.09160	1.0
235.07541	14.9
237.05464	1.3
237.07675	0.7
238.06285	2.1
245.06097	1.4
247.07603	0.5
248.04654	0.7
249.05487	2.9
249.07982	0.5
249.08862	0.4
249.11250	1.0
250.06195	1.2
250.08626	0.9
251.07053	2.9
251.09537	1.4
252.07829	4.6
252.10184	0.8
253.08589	4.2
255.06444	1.0
261.05405	0.6
262.06241	17.6
262.08640	2.0
263.07028	18.5
264.07294	0.9
265.04922	3.8
265.07489	1.8
266.05737	3.0
266.08212	1.1
267.06543	2.1
267.10126	1.0
269.08060	0.9
270.08844	0.4
277.04926	1.0
277.08344	0.5
278.05496	0.5
278.08240	0.9
278.74747	0.4
279.06461	3.4
279.08954	1.6
280.07233	4.6
280.09769	4.0
281.08047	11.1
281.10947	0.7
282.08331	1.6
283.06033	2.5
283.08694	0.6
283.72141	0.4
290.05533	3.9
291.06406	2.2
293.04239	0.5
293.07388	1.3
294.05103	1.1
294.07843	4.1
295.05933	2.1
295.09610	3.8
297.07611	1.2
298.08310	1.8
300.08762	0.6
303.13449	0.4
307.08557	2.1
308.06464	9.5
309.07349	8.8
310.07364	2.3
311.05426	1.6
313.10687	12.1
314.10358	1.3
315.10806	0.5
323.09119	24.3
324.08990	1.8
325.09607	3.4
326.07800	6.1
327.08569	0.7
329.10129	1.5
330.09613	0.6
330.13385	5.7
337.09088	0.9
340.11807	15.6
341.10165	38.9
342.10410	0.9
358.12842	100.0
359.13272	3.3
376.14151	0.7
378.36539	0.5
382.12903	0.5
400.14029	1.1
422.24863	0.6
436.13870	1.0
466.14899	0.8
482.92218	0.4
484.15930	1.3
502.17062	5.1
520.18121	16.9
520.26068	0.8
521.18689	1.1
577.38464	0.4
643.36670	0.4
746.29913	11.5
747.30237	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.7
57.03432	3.5
57.07051	1.9
59.04990	2.3
61.02918	1.7
65.03965	1.4
66.33231	1.3
67.05501	76.5
69.07051	11.2
70.30016	3.7
70.30406	2.5
70.47121	1.5
71.04992	15.1
71.89729	1.5
79.05489	26.7
81.03413	2.6
81.06596	2.3
81.07054	34.4
83.04971	2.6
83.08620	6.8
85.02897	2.2
85.06529	2.8
91.05469	21.0
93.06480	2.8
93.07030	33.2
95.04948	3.2
95.08601	23.0
97.06526	3.8
97.10188	2.6
105.07000	9.3
107.08579	17.2
109.10146	44.3
111.08067	2.9
114.45159	1.5
117.06992	4.0
118.60898	1.4
119.08586	13.7
121.10124	14.0
123.08057	1.7
123.97899	1.6
130.07788	1.5
131.08568	6.0
132.42323	1.6
133.10101	5.0
135.11685	14.3
137.09608	7.8
145.10092	6.1
147.11633	2.4
149.13257	3.0
159.11722	3.5
161.13260	2.9
163.11140	2.9
163.14685	1.7
173.11710	7.4
173.13220	3.6
181.12233	3.2
184.07137	1.7
202.39876	1.4
213.14833	1.6
243.15916	2.2
255.15884	3.2
261.22113	3.8
281.22491	1.8
287.18478	16.6
300.22809	1.4
335.25757	25.1
366.18335	1.6
397.30920	1.7
489.35715	100.0
490.35962	4.3
503.37534	2.6
515.37378	10.7
542.14264	1.5
547.39960	72.7
548.39972	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	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01863	1.8
55.05511	15.6
57.03202	0.8
57.03438	10.8
57.07074	1.5
59.05029	0.7
61.02911	1.9
65.03938	1.3
67.05505	34.5
69.03420	3.8
69.07069	8.5
69.87370	3.7
71.04991	3.7
75.61694	0.6
79.05489	26.6
81.03419	45.2
81.07055	35.2
82.07407	0.7
83.04974	10.6
83.08154	1.3
83.08619	18.0
83.41847	0.6
85.02902	15.4
85.06527	2.1
91.05476	22.1
93.07042	28.7
95.04965	21.0
95.08607	21.7
97.02894	3.4
97.06525	3.4
97.10155	4.5
98.20873	0.9
99.08101	1.3
105.07024	15.7
107.04940	4.6
107.08589	14.5
109.06490	3.2
109.10161	9.5
111.04479	1.2
111.08082	8.9
113.06009	1.7
115.05461	1.2
117.07027	2.8
119.08580	15.9
121.06507	1.4
121.10153	15.4
123.08081	2.4
123.11693	3.5
125.09620	1.4
129.07001	6.7
131.08565	10.8
133.06480	1.0
133.10139	9.2
135.11699	5.8
137.09608	1.5
142.07794	1.5
143.08620	1.0
145.10097	4.0
147.08081	1.9
147.11691	12.3
149.09590	4.3
149.13268	2.6
157.10124	9.4
159.11725	2.1
161.13315	1.1
163.11180	1.5
163.14882	1.3
165.12761	2.6
168.62955	0.7
173.13235	2.1
175.11183	10.7
177.12924	0.7
181.07751	0.6
187.14851	1.2
193.10454	1.5
193.12234	33.3
211.13281	52.6
227.12848	1.4
243.21011	1.4
261.22079	5.8
267.15903	7.7
283.15405	0.7
285.16953	42.2
301.25424	0.8
317.24759	1.6
335.25797	46.2
336.25925	1.4
453.33728	0.9
471.35025	1.0
527.37292	7.1
545.38361	100.0
546.38660	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01866	1.0
55.05506	12.6
57.03439	9.3
57.07061	1.1
61.02913	1.9
65.03928	0.8
67.05499	35.3
69.03439	3.4
69.07065	9.3
70.66006	2.5
71.04985	4.2
79.05489	25.6
81.02931	1.7
81.03413	35.2
81.07048	36.4
81.07533	1.8
83.04983	7.4
83.08617	13.8
85.02897	14.4
85.06540	1.5
91.04905	1.2
91.05475	21.5
93.07035	27.9
95.04958	13.7
95.08598	23.0
95.09182	1.4
96.08931	1.0
97.02911	2.5
97.06525	2.7
97.10153	3.9
99.08085	0.8
105.07024	14.1
107.04937	2.7
107.08588	13.3
108.08735	0.7
109.06513	2.7
109.10155	8.9
111.04435	1.7
111.08067	5.9
115.05400	1.3
117.06982	2.0
119.08572	13.9
120.76178	0.7
121.10131	13.2
123.08070	1.4
123.11694	2.4
125.09613	1.2
129.06958	4.3
131.08559	9.2
133.06523	1.6
133.10118	8.0
135.11688	6.3
137.09627	1.2
142.07788	1.5
145.10101	3.9
147.08055	1.4
147.11688	10.3
149.09625	3.1
149.13278	3.4
157.10123	6.0
159.11694	2.2
161.13268	1.9
163.11157	1.2
163.14824	1.3
165.12740	2.1
173.13284	2.6
175.11156	7.0
175.14827	0.6
184.07286	0.9
193.12233	25.0
201.16486	0.8
211.13263	33.7
227.12790	0.8
243.21095	1.2
246.20366	0.6
261.22125	5.7
267.15863	7.6
285.16940	32.4
317.24832	2.0
319.35748	0.8
335.25769	61.3
336.26236	1.7
408.20462	0.9
435.32297	1.5
519.83679	0.7
527.37286	7.3
545.38324	100.0
546.38696	5.0
585.21185	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	742.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01879	0.1
55.05509	0.1
57.03443	0.1
67.05506	0.2
69.03424	0.4
69.07065	0.4
70.06599	1.1
71.04700	0.1
71.05032	0.2
72.08158	0.2
77.03964	0.1
79.05490	0.4
81.03423	0.3
81.05804	0.1
81.07056	0.4
83.04973	0.9
84.08131	0.3
85.02876	0.5
86.09701	0.7
91.05472	0.5
93.07053	0.4
94.06566	0.4
95.04963	0.2
95.08615	0.2
97.02884	0.3
97.06516	0.6
99.04482	0.2
105.07009	0.9
107.04928	0.3
107.07334	0.2
107.08581	0.4
109.02850	0.3
109.06519	0.2
110.07173	0.1
117.03388	0.2
117.07011	0.2
119.04953	0.1
119.08571	0.3
120.08115	0.4
120.53810	0.1
121.06489	0.6
122.09664	26.3
123.09976	0.3
125.06011	1.1
127.03925	0.2
129.06950	0.1
129.10242	0.1
131.04982	0.2
131.08553	0.2
133.06517	0.1
133.10191	0.1
135.04370	0.1
136.07547	0.1
137.05983	0.2
143.07025	0.7
143.08604	0.2
144.09422	0.1
145.02866	0.4
145.06459	0.1
145.10114	1.4
147.04248	0.1
147.11691	0.2
150.09135	15.0
151.07559	0.3
151.09883	0.6
151.78192	0.1
152.07086	0.2
158.07242	0.2
159.08034	0.2
159.11693	0.4
163.03906	0.1
163.07608	0.2
163.11185	0.3
167.07059	0.2
168.10193	100.0
169.10565	1.4
173.09599	0.8
177.05415	0.8
177.12761	0.2
178.05739	0.1
187.11171	0.6
189.12769	0.1
191.10687	0.3
197.09679	0.1
205.12230	0.6
206.47072	0.1
209.11760	0.1
210.11253	0.1
215.10632	0.5
233.11740	0.7
251.12703	0.5
312.36395	0.1
355.37262	0.1
413.17944	0.4
575.23077	0.2
580.27325	0.3
604.28668	0.1
698.15167	0.1
742.32690	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	742.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.1
55.01874	0.2
55.05503	0.2
56.05031	0.1
67.05484	0.2
69.03410	0.5
69.07062	0.4
69.61260	0.3
69.61673	0.4
70.06589	1.2
71.04993	0.1
72.08141	0.3
74.08678	0.1
77.03944	0.1
79.05481	0.4
80.05029	0.1
81.03421	0.3
81.05785	0.1
81.07068	0.3
83.04993	0.7
84.04517	0.2
84.08137	0.3
85.02906	0.5
86.09708	0.8
89.03935	0.1
91.05468	0.6
93.07047	0.4
94.06562	0.5
94.94784	0.1
95.04965	0.3
95.08612	0.2
97.02883	0.3
97.06543	0.7
99.04445	0.3
103.05395	0.1
105.07021	0.9
106.06554	0.1
107.04955	0.3
107.07338	0.2
107.08578	0.3
109.02869	0.1
109.06503	0.2
117.03358	0.2
117.07030	0.1
119.04915	0.3
119.08595	0.2
120.08086	0.4
121.06495	0.6
122.09663	25.8
123.10027	0.4
125.05989	1.0
127.03931	0.3
129.10220	0.2
131.04886	0.1
131.08571	0.3
133.06519	0.2
133.10135	0.1
135.04396	0.2
136.07671	0.1
137.06021	0.3
143.07014	0.6
143.08569	0.2
145.02832	0.4
145.06430	0.1
145.10136	1.1
146.03152	0.1
147.04391	0.2
147.08099	0.1
147.11685	0.1
149.06000	0.2
150.09137	14.3
151.07574	0.2
151.09920	0.6
152.06973	0.2
158.07301	0.1
159.11636	0.4
163.11169	0.3
164.06908	0.2
167.07002	0.2
168.10194	100.0
169.10561	1.6
172.08885	0.1
173.08357	0.1
173.09590	0.7
177.05460	0.7
177.12730	0.2
181.04842	0.1
182.11711	0.1
187.11157	0.8
189.12732	0.1
191.10690	0.3
197.09641	0.2
201.05536	0.1
205.12193	0.6
207.06493	0.1
209.11809	0.2
210.11343	0.3
212.42419	0.1
215.10664	0.6
233.11725	0.7
249.11411	0.1
251.12766	0.6
278.46909	0.1
313.10315	0.1
395.16721	0.1
413.18079	0.2
434.10678	0.1
575.23047	0.3
580.26984	0.3
742.32635	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	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01852	2.3
55.05269	1.2
55.05511	11.9
57.03434	8.1
57.07040	1.3
61.02906	0.7
65.03919	2.1
67.05501	38.4
69.03433	1.5
69.07066	11.9
71.04976	2.6
71.59114	1.3
73.02911	2.5
79.05488	32.3
81.03407	2.0
81.07051	40.4
83.04964	3.6
83.08616	8.7
85.02892	1.3
85.06506	1.3
91.05476	13.5
93.07040	42.8
95.04961	8.0
95.08601	46.2
97.02901	3.5
97.06518	3.0
97.10172	1.5
99.04459	2.4
103.05451	0.9
105.07020	10.9
107.04961	5.5
107.08582	31.0
108.08921	0.8
109.06502	2.3
109.10143	9.8
111.04433	0.9
111.08052	1.4
117.07007	8.7
119.08566	11.4
121.06472	4.5
121.10136	17.8
123.08088	0.8
123.11687	2.0
125.05947	2.3
130.07739	1.0
131.08546	2.3
133.10135	6.0
135.08029	1.7
135.11684	37.1
139.07529	0.9
143.08524	0.9
145.10112	21.5
147.11674	2.9
148.99339	0.8
149.13228	2.3
159.11696	2.2
161.13234	1.9
163.11174	39.7
163.14864	1.2
164.11430	0.9
173.09584	0.7
173.13272	1.8
177.16415	0.9
181.12244	7.1
184.07416	0.9
187.14804	1.1
227.12773	52.0
228.13051	1.1
243.21112	1.5
253.23322	0.8
261.22116	6.5
283.15384	47.6
284.15750	1.2
317.24887	2.1
335.25781	100.0
336.26184	3.1
339.89618	0.8
372.24634	0.7
543.36804	72.9
544.37079	5.1
599.50128	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	740.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01868	4.4
55.05512	14.6
56.83162	0.6
57.03432	9.3
57.07052	2.4
61.02907	1.4
65.03915	2.4
66.80235	0.6
67.05501	45.9
69.03401	1.6
69.07063	13.2
69.28952	2.0
69.29367	4.7
71.04976	3.5
73.02895	1.9
77.03889	0.8
79.05015	1.3
79.05490	42.7
81.03388	2.6
81.07051	46.4
83.04968	4.5
83.08164	0.8
83.08619	12.3
85.02888	1.7
85.06532	1.7
91.05474	16.5
92.52411	0.6
93.07038	62.0
94.07337	0.7
95.04965	8.0
95.08601	61.6
96.08901	0.8
97.02883	5.0
97.06523	4.5
97.10145	1.7
99.04440	3.9
103.05458	1.2
105.04501	1.2
105.07023	12.7
107.04952	9.1
107.08587	43.8
108.08898	0.7
109.06491	3.3
109.10152	12.9
111.04421	1.9
111.08080	1.7
113.06019	0.7
117.07017	11.2
119.08577	15.4
121.06495	7.1
121.10134	22.7
123.08025	1.2
123.11695	3.0
125.05992	3.6
127.07610	0.7
129.06931	1.0
130.07750	2.2
131.08586	4.2
133.10121	7.4
135.08044	1.9
135.11682	59.4
136.11954	0.9
137.13203	1.8
139.07542	2.3
140.42305	0.6
140.82426	0.7
143.08516	0.8
145.10106	34.0
147.11644	2.2
149.13243	2.4
153.12698	1.4
159.11690	2.0
160.53728	0.6
161.13257	3.0
163.11171	68.9
163.32260	0.8
163.79950	0.6
164.11496	1.9
173.09685	1.1
173.13263	2.2
175.14879	1.3
181.12212	11.7
187.14850	1.3
209.11758	1.9
227.12762	82.1
228.13115	3.6
243.21065	2.6
261.22128	8.4
283.15375	100.0
284.15704	2.2
292.50562	0.7
317.24786	2.7
335.25778	96.8
336.26154	3.9
489.89771	0.8
543.36786	87.1
544.37036	5.6
582.11865	0.8
599.50006	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	738.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01861	0.7
55.05508	9.3
57.03437	0.8
57.07067	1.1
57.55904	0.6
62.51248	0.8
65.03943	1.3
67.05502	34.3
69.07065	8.5
70.84145	2.1
70.84523	0.7
71.05009	1.1
74.01418	0.7
79.05494	18.8
81.07055	29.8
83.04957	1.0
83.08629	3.9
83.28568	0.7
91.05478	11.9
91.06016	0.8
93.07049	19.4
95.04967	2.3
95.08606	25.8
96.45881	0.7
97.06541	1.7
97.10159	0.8
98.06020	1.0
105.07021	6.3
107.08586	9.1
109.06530	0.9
109.10153	6.4
117.07046	1.0
119.08596	3.0
121.10141	7.0
123.11697	3.0
124.44415	0.7
131.08557	2.4
133.10167	3.3
135.11673	3.8
137.13203	1.0
145.10150	1.2
147.11708	2.4
149.10497	0.8
149.13251	1.6
161.13301	1.9
163.70261	0.8
173.13264	0.9
175.14780	0.8
261.22131	1.3
263.23795	2.3
300.91962	0.8
304.26413	5.2
306.27963	6.9
330.70114	1.0
335.25919	2.6
337.27325	3.4
482.56543	0.7
597.48779	100.0
598.49011	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	735.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01863	1.7
55.05506	8.4
57.03445	1.0
57.07060	3.3
60.07062	1.0
61.98383	0.9
67.05502	28.3
69.03429	5.0
69.07067	32.1
70.06591	8.1
71.04989	6.0
71.10745	2.0
72.08143	3.1
79.05489	16.5
81.03428	4.8
81.07051	100.0
82.07381	1.3
83.04961	1.4
83.08611	4.7
84.04489	2.5
84.08142	3.9
85.02897	7.6
85.06554	2.7
86.09713	6.5
87.00810	2.7
89.03879	0.9
91.05476	13.8
92.20693	1.2
93.07041	44.3
95.04960	7.2
95.08602	55.9
97.02881	3.8
97.06522	8.2
97.10140	3.8
99.04447	2.0
99.08060	1.2
102.05553	1.2
105.01839	5.3
105.06303	1.8
105.07022	26.5
107.04971	1.6
107.08588	40.7
109.02882	2.4
109.06551	5.7
109.10153	40.3
110.07152	1.0
110.09680	1.4
111.08086	2.7
111.11694	2.5
112.99255	1.1
117.03380	1.3
117.06981	2.9
119.04932	1.0
119.08585	19.5
120.08098	4.1
121.06509	1.1
121.10141	21.2
121.10950	2.0
123.08050	1.2
123.11700	67.7
125.09624	1.3
127.03925	3.8
127.11187	2.6
129.10208	1.9
130.04979	1.7
131.08585	6.5
133.06473	0.9
133.10127	19.9
135.11696	16.0
136.07510	1.4
137.05977	2.6
137.13225	5.7
138.09157	1.4
139.11165	2.8
145.02835	2.3
145.04904	1.3
145.10098	8.2
146.06029	1.2
147.04413	1.2
147.07675	1.3
147.11679	17.0
149.13254	10.9
151.11191	15.7
152.07066	1.3
153.12662	1.6
157.10085	1.0
159.11685	10.5
161.05966	1.7
161.13239	13.7
163.03807	1.4
163.14812	8.7
165.12766	2.9
167.07100	2.2
168.10175	1.3
172.03943	2.8
173.13266	7.4
175.14847	10.0
177.05534	5.1
177.16380	4.2
179.14319	3.0
187.10703	1.0
187.14795	3.5
189.16389	8.6
191.17958	1.6
193.15881	1.3
199.07518	1.0
201.16434	6.0
203.17981	2.3
204.06592	4.3
207.06511	1.0
207.17470	3.1
215.17969	9.2
217.19571	1.2
229.19536	1.6
231.05023	1.4
231.21143	1.5
233.18964	2.5
259.10776	1.1
271.24194	23.2
289.25247	71.6
301.11966	2.2
302.12186	1.5
307.26340	5.5
325.11893	1.6
383.11044	2.0
408.99728	1.1
433.90033	1.0
486.35657	1.1
537.30121	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	734.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57818	1.3
53.03941	8.2
55.01859	4.6
55.05509	14.3
57.03427	3.9
57.07064	2.5
61.02918	3.9
65.03944	2.3
67.05502	36.8
68.73221	1.4
68.99788	2.4
69.03423	21.4
69.07062	20.9
70.04064	1.3
70.06591	2.6
70.22586	3.5
71.04988	2.6
71.08645	1.4
73.02910	4.0
77.03916	2.2
79.05486	23.2
81.03417	19.9
81.07051	100.0
83.04990	1.7
83.08630	8.8
84.08150	1.2
85.02901	52.7
86.09703	2.6
87.00822	20.8
87.38287	1.1
88.78604	1.0
91.03961	2.3
91.05474	25.9
93.07041	62.7
95.04967	6.1
95.08601	75.2
97.02878	20.6
97.06523	3.1
97.10150	3.8
99.04445	8.8
100.06204	1.2
103.05482	1.3
105.01869	25.1
105.04524	1.3
105.07027	56.3
107.08588	78.9
108.08907	1.1
109.02876	18.4
109.06523	3.8
109.10152	58.7
111.11726	2.5
117.01855	1.9
117.07001	6.5
119.06030	1.2
119.08580	59.3
119.57371	1.3
120.08089	1.3
121.10135	56.7
123.08100	1.3
123.11707	22.8
127.03912	40.6
129.01831	1.4
130.07756	1.5
131.08551	13.1
133.10124	26.7
135.11687	27.8
137.13232	5.3
144.09311	2.7
145.04962	16.1
145.10115	20.2
147.11676	32.8
149.13243	35.0
149.14389	2.3
151.11200	1.3
157.10059	1.8
159.02876	9.7
159.11691	28.9
161.13242	34.3
163.14815	24.5
171.11740	2.1
173.13245	11.4
175.14798	21.5
177.16371	14.5
187.14763	7.0
189.16345	11.2
191.17949	2.1
201.16370	15.3
203.17969	10.6
206.34605	1.3
210.52934	1.4
213.03891	2.3
213.16359	2.3
215.17952	28.4
215.56555	1.3
217.19574	1.3
229.19443	4.5
231.05017	11.1
231.21039	3.0
243.21143	2.0
249.06093	4.9
271.24197	48.5
289.25308	4.7
367.08978	1.8
379.26239	1.5
453.97571	1.4
760.93683	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	725.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01864	4.9
55.05510	22.6
57.03424	4.0
57.07066	1.6
57.46446	0.9
58.90221	1.0
59.05005	1.1
67.05500	30.3
69.03419	2.2
69.07071	8.6
69.49320	1.6
69.49716	7.3
69.54530	0.9
71.04983	2.5
79.05489	48.5
81.03416	1.6
81.06596	1.8
81.07055	28.8
83.04977	17.6
83.08614	11.0
85.06517	1.4
91.05471	21.7
93.07038	32.2
95.04961	6.3
95.08609	17.7
97.06506	1.6
97.10171	8.7
98.21462	2.0
98.98450	7.5
105.07021	17.6
107.04951	18.8
107.08580	37.3
109.06516	3.2
109.10151	14.1
111.08087	4.4
113.05962	1.1
116.71745	1.2
117.07001	7.8
119.08585	13.6
120.12498	1.0
121.06517	2.2
121.10137	13.8
123.08091	1.3
123.11721	4.2
125.09626	9.7
129.06938	1.2
131.08557	9.3
133.10123	14.7
135.08029	4.1
135.11681	5.3
141.06958	1.0
143.08565	1.6
145.10118	8.6
147.08139	1.0
147.11667	10.6
149.09613	40.9
149.13275	2.4
153.09137	2.5
157.10146	2.3
159.11705	6.3
161.13278	4.1
163.11159	2.8
163.14822	4.6
167.74438	1.1
169.10117	2.0
169.12250	4.7
171.11684	1.8
173.11758	2.7
173.13232	2.5
181.12189	1.6
183.11617	1.1
187.11229	2.8
187.13268	3.3
189.11201	10.7
191.14308	1.7
193.12273	1.3
203.15352	1.9
209.15366	16.8
215.18022	1.9
227.16428	1.4
229.19420	5.0
233.15427	1.3
239.17917	3.7
257.19034	18.7
261.22137	6.6
268.90390	1.4
273.99454	1.3
275.20056	100.0
276.20410	3.4
293.21127	16.9
335.25800	17.1
378.65802	1.4
512.95013	1.2
554.79694	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	726.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98178	2.8
53.03928	4.3
55.05503	17.5
57.03426	14.6
57.07058	4.7
63.15034	3.2
67.05505	81.7
69.07054	20.9
70.27262	3.0
71.05024	3.4
71.59077	3.3
71.59469	3.2
79.05486	46.2
81.07050	77.8
83.04985	5.0
83.08614	17.7
83.63202	2.8
85.02890	3.2
91.05482	27.5
93.07046	67.0
95.04974	8.9
95.08604	42.4
97.06531	6.7
97.10183	3.3
99.08085	4.4
105.07030	12.9
107.08588	37.8
109.10171	12.4
111.08071	8.1
117.07005	7.3
119.08582	9.7
121.10150	26.0
131.08542	14.7
131.68109	3.3
133.10149	12.5
135.11684	15.1
145.10114	5.2
147.11694	4.6
149.13229	21.8
159.11729	10.1
165.31102	3.1
177.12820	3.6
195.13864	6.2
214.47319	3.5
247.83443	3.3
261.22275	7.8
269.17490	63.5
335.25818	56.2
529.38861	100.0
530.39075	5.2
685.11462	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	723.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.6
57.03435	4.8
58.75636	3.8
62.32944	3.5
67.05508	77.7
69.03419	12.2
69.07075	27.9
71.01779	6.2
71.02117	9.4
71.04987	23.5
73.47696	4.1
79.05486	37.5
81.03432	19.9
81.07052	100.0
83.04968	23.8
83.08624	5.9
85.06557	6.1
91.05463	33.7
93.07039	41.5
95.04984	5.6
95.08608	30.4
97.06525	8.3
105.07019	23.4
107.08572	22.6
109.06521	4.5
109.10156	16.6
117.07013	12.4
119.08595	15.7
121.10142	15.9
123.11691	14.4
129.05481	10.7
131.08582	17.8
133.10172	22.4
135.11685	11.7
145.01045	4.2
145.03261	4.2
145.10138	8.0
147.11702	5.5
149.13257	7.3
151.11205	6.6
159.11745	6.3
173.04465	7.4
187.13290	9.5
187.14868	4.8
217.43230	3.7
230.06673	4.3
257.17282	4.2
269.17587	5.0
301.20328	4.5
327.59985	4.1
335.25729	22.8
445.24371	5.6
503.37219	36.7
505.39221	19.4
529.38654	6.9
561.41528	25.9
673.43109	5.6
695.30475	4.7
705.44452	5.4
723.45868	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	724.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01856	4.9
55.05506	18.1
57.03432	17.9
61.02928	5.9
61.60557	2.6
67.05146	3.4
67.05505	64.2
69.03419	3.9
69.07053	12.5
70.98275	6.2
71.04961	3.8
72.70766	2.5
79.05490	42.9
81.03416	100.0
81.07057	57.4
83.04958	5.2
83.08623	17.9
83.96069	3.0
85.02872	5.5
85.06525	3.6
91.05470	33.8
93.06493	3.5
93.07041	40.2
95.04961	29.4
95.08599	38.9
97.02861	5.5
97.06493	3.7
97.10174	5.3
105.07026	19.6
107.04955	7.7
107.08595	22.6
109.06525	4.4
109.10160	18.2
111.08083	5.6
117.07025	6.4
118.40175	2.8
119.08578	26.1
121.06440	3.0
121.10131	19.4
123.04313	2.7
123.11707	5.4
125.09586	3.1
129.06985	9.0
131.08539	21.1
133.06496	3.0
133.10100	11.1
135.11688	13.3
143.08559	3.8
145.10101	4.2
147.07962	4.1
147.11678	10.8
149.09637	4.6
149.13246	5.7
157.10069	8.1
159.11633	6.7
161.13278	5.4
173.13219	5.4
175.11162	7.4
189.11168	3.6
193.12242	23.7
227.12755	6.0
243.21069	6.6
244.44144	2.9
261.22073	17.9
267.15894	91.4
301.25153	5.2
309.16876	3.4
335.25815	72.2
453.33490	4.1
527.37366	42.2
545.38281	18.8
719.60486	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	718.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01869	1.3
55.25932	0.7
56.05034	1.0
65.03931	2.9
67.05489	2.4
69.03432	1.6
69.07080	1.4
70.06590	8.3
71.51193	1.6
72.08150	3.7
78.03468	0.7
78.04704	1.0
79.05482	3.7
81.03408	3.6
81.07056	3.4
84.04514	4.7
84.08132	2.6
85.02901	1.5
86.09701	6.6
89.03912	9.2
91.05476	22.6
92.05786	1.2
93.03442	1.1
93.07040	7.2
94.04180	3.9
95.04978	15.8
95.08600	0.8
97.02900	1.1
99.04424	1.0
102.04716	1.2
102.05512	0.8
102.94958	0.8
103.05466	8.8
105.03357	1.1
105.04530	1.6
105.06995	4.2
106.04187	1.1
107.04955	18.9
109.06526	4.1
110.07167	0.9
111.04428	1.6
115.05457	2.8
117.03374	20.2
117.04166	1.6
117.06999	3.1
119.04947	14.5
119.08596	1.3
120.05773	1.8
120.08098	2.6
121.02869	0.8
121.06496	31.4
122.03636	6.7
123.04420	12.5
125.05978	1.4
127.03983	1.0
129.10190	0.9
130.05005	2.0
131.04895	5.4
132.05713	1.3
133.02838	4.3
133.06514	1.8
133.10143	1.0
134.03618	2.2
134.05992	1.5
135.04433	8.5
135.08032	2.4
135.11699	1.4
136.05179	2.7
136.07556	3.1
137.05974	100.0
138.06316	2.5
138.09187	0.9
140.04689	3.3
143.04927	2.3
144.05702	0.9
145.02841	44.5
145.06459	3.9
146.03587	1.4
146.06018	1.1
147.04398	10.4
147.08002	1.4
148.06104	1.2
148.07658	1.0
149.02370	0.9
149.05956	13.7
150.06715	1.1
151.03969	2.1
151.07538	16.8
152.07037	1.4
153.05479	2.0
155.07028	6.9
158.03624	1.6
159.04385	1.0
160.05205	7.6
161.05994	12.8
163.03886	14.3
163.07538	3.5
164.04733	1.6
164.07092	4.1
165.05492	1.9
165.09044	1.0
166.08633	1.3
167.07037	10.3
168.10176	3.2
173.05960	6.2
175.03894	13.1
175.07512	13.6
176.04674	1.9
176.08308	1.3
177.05463	91.0
178.05826	3.1
179.07050	11.9
179.08517	2.1
180.07794	1.2
181.04996	3.6
181.08592	1.5
183.06528	24.3
183.08070	2.1
186.03119	1.6
186.05539	2.4
187.03981	1.1
187.07530	4.7
191.07071	7.5
192.06494	1.8
194.08160	1.1
195.06499	7.7
197.08041	1.0
201.05417	37.9
202.05855	1.1
203.06981	1.1
205.08588	2.4
207.06474	3.5
207.08179	1.9
209.08076	2.5
218.07964	1.6
219.06465	20.8
221.06012	1.1
223.07553	1.4
224.08282	1.3
225.07436	2.0
231.06445	4.7
234.06776	2.4
235.07578	2.8
236.08128	2.1
236.16527	0.9
239.10585	2.1
247.07584	1.8
248.08517	1.2
249.05405	1.1
249.09106	3.3
250.06364	1.1
251.07016	1.0
251.10667	1.5
252.07567	1.1
253.08502	1.0
255.10135	1.1
262.06418	2.1
263.06979	1.8
264.07910	0.8
265.08548	1.6
266.09357	1.0
267.10168	2.3
268.10950	1.4
277.08548	6.6
279.06805	1.0
279.10117	3.5
281.08157	1.4
283.09604	0.9
284.10077	1.0
285.11203	1.2
293.07980	2.0
294.08795	2.0
295.09650	2.3
299.12683	8.4
305.08112	1.5
307.09506	1.2
309.11282	3.9
311.12762	4.6
312.12317	1.7
314.14005	2.4
316.15448	14.0
321.07678	1.0
323.09174	1.4
325.10724	2.0
327.12393	3.2
329.13803	5.1
337.10681	8.2
338.13837	1.2
339.12231	12.5
342.14243	1.3
346.16342	1.7
351.08401	1.1
351.12204	2.1
353.10248	10.6
355.11771	14.5
356.14978	9.1
357.13351	2.8
360.15536	4.3
369.13199	3.4
370.13779	0.9
379.11990	1.1
383.11218	1.9
387.14343	21.2
388.15121	13.3
401.12399	1.8
476.20419	2.6
479.18149	1.0
490.18643	5.9
504.20071	1.0
520.19409	2.9
546.21198	2.3
652.25171	2.7
670.26331	9.2
700.26715	1.6
706.39899	1.0
718.27710	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	718.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
61.02929	2.0
67.05498	1.8
69.03417	5.0
69.07048	1.4
70.06588	14.5
72.08139	5.3
74.06074	1.1
79.05476	3.4
80.05023	1.2
81.03396	1.0
82.06575	1.5
83.33772	1.1
84.04490	3.1
84.08141	5.5
85.02904	4.9
86.09703	7.8
91.05466	4.5
93.05806	1.1
93.07043	7.6
94.06578	6.8
95.04958	1.2
95.07352	8.0
96.08129	18.8
97.02908	1.9
97.06512	4.3
103.05449	3.2
107.04932	2.2
107.07333	1.4
108.08120	15.5
110.07139	2.6
110.08919	1.8
110.09680	37.6
117.03371	1.1
119.04920	2.0
120.08103	26.1
121.06481	1.3
122.06078	1.5
122.09667	1.8
124.07589	2.4
129.10245	2.9
133.06467	1.3
135.04440	1.7
136.07594	14.3
137.05989	6.7
138.05475	2.4
138.09137	48.1
145.02812	4.3
147.04414	2.4
148.07581	5.6
149.05922	2.2
150.05379	1.1
150.09143	3.4
152.07060	4.1
154.08629	1.6
161.05991	1.5
163.03923	1.7
164.07021	2.9
166.08636	83.4
167.07007	2.5
167.08989	1.6
168.10182	3.1
169.13339	1.3
177.05455	9.3
187.07295	1.4
191.06967	2.2
211.08632	2.0
213.10370	1.3
223.08649	1.4
224.09407	1.3
225.10202	4.1
227.08189	2.8
227.11801	1.2
237.10237	15.5
239.08112	8.2
239.11781	3.8
241.09789	6.7
247.08705	1.7
250.14522	2.1
251.08205	4.9
253.09726	16.6
255.07664	1.9
255.11288	3.7
265.09763	27.2
266.07175	1.3
266.10358	3.6
267.07614	3.0
267.11234	6.6
269.09241	2.3
277.09848	2.0
278.08167	1.4
281.09244	19.2
283.10733	14.7
285.91779	1.1
287.10211	3.2
293.09222	22.3
294.09821	1.9
295.10770	18.7
297.08615	1.4
298.09293	1.5
299.10266	4.9
301.11801	1.1
307.10214	1.3
309.08609	4.5
311.10291	18.5
313.11819	3.2
315.13507	1.7
321.08627	10.3
327.09760	19.0
339.09732	37.1
341.11221	2.9
343.13000	1.6
353.11197	4.2
358.15677	1.3
359.12363	34.9
360.12759	2.0
371.12418	22.5
372.13181	2.2
388.16541	3.4
391.16705	1.3
418.17511	6.0
419.46268	1.4
428.15753	1.7
436.18488	2.5
446.17120	7.9
448.18381	2.7
464.12201	0.8
464.18158	20.1
474.16483	5.1
492.17676	100.0
493.17990	5.3
506.19089	7.2
510.18530	2.6
524.20276	71.8
525.20465	4.9
654.22467	3.8
727.45068	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	714.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01879	0.9
55.05490	0.6
56.05024	0.8
57.03450	0.7
61.02912	1.0
65.03946	0.5
67.05510	1.2
68.01263	0.5
69.03429	3.6
69.07064	0.8
70.06589	7.3
71.45568	0.9
72.08157	2.4
73.02895	1.0
79.05495	1.8
80.05021	0.6
81.03421	2.2
81.07043	0.7
84.04528	1.0
84.08154	2.1
85.02906	5.1
85.08391	0.5
86.09689	4.4
87.04482	1.0
87.12794	0.6
91.05494	2.1
93.05815	0.7
93.07042	1.6
94.06554	4.6
95.05002	0.5
95.07352	1.1
95.08606	0.9
96.08121	4.2
97.02908	2.4
99.04467	1.0
103.05441	0.9
105.07063	1.3
106.06558	0.9
107.07394	1.1
108.08116	8.1
109.02903	1.7
110.06088	1.0
110.07173	1.0
110.09670	4.9
115.08675	0.6
116.07071	0.6
119.08636	0.7
120.04482	1.9
120.08101	10.2
121.06506	1.0
122.06030	6.9
122.09673	4.0
124.07546	0.9
127.03934	2.1
129.10269	1.6
131.04929	0.8
132.08107	1.3
133.10194	0.7
135.04391	0.8
136.07570	10.8
137.05994	2.0
137.08385	1.0
138.09137	9.7
145.02820	1.4
146.06038	1.5
148.07561	4.6
150.09129	8.0
151.07523	0.7
152.07030	3.2
155.08163	0.8
159.09248	0.8
162.09235	0.8
164.07108	2.0
166.04942	0.7
166.08630	21.1
166.09961	1.1
168.08028	0.6
168.10286	0.6
172.03938	1.4
176.10713	1.1
177.05496	2.1
180.10233	1.2
185.09390	0.7
190.05008	1.2
194.08177	1.4
197.10823	1.0
201.16199	0.6
204.06604	1.0
209.08168	0.8
209.10811	1.9
212.09509	0.9
213.10391	0.9
218.08133	0.9
221.10782	0.8
223.08780	1.7
223.12480	1.6
224.09494	1.2
225.10202	5.1
226.10971	0.9
227.11841	1.5
233.10774	1.5
235.08684	1.9
235.12312	0.7
236.09515	1.9
237.10199	10.4
237.12364	0.8
238.10928	2.9
239.08147	1.6
239.11853	4.7
241.09839	1.1
247.09016	0.8
248.09496	2.2
249.10188	9.0
249.12233	0.8
250.10947	3.8
251.08212	3.5
251.11790	9.9
252.12611	2.4
253.09738	6.7
254.10394	0.6
255.11264	4.4
261.10172	6.1
262.11099	2.3
263.08771	1.1
263.11746	8.0
264.08914	1.7
264.12277	1.0
265.09714	14.0
265.12976	0.9
265.13480	1.2
266.10428	2.7
267.11221	8.3
269.09229	1.3
269.12842	1.1
271.10803	1.6
273.12390	1.0
277.09714	4.3
278.06699	1.6
278.10544	6.2
279.07770	4.5
279.11368	18.9
280.11884	3.3
281.09540	3.3
281.12936	2.9
282.10101	1.8
283.10825	7.7
284.11581	0.8
285.12369	1.4
287.14081	1.5
289.09702	14.9
290.10489	1.5
291.11234	5.2
293.09262	5.9
293.12936	6.2
294.10040	4.1
294.13312	1.3
295.10837	5.5
295.14020	1.0
296.11533	4.3
297.08997	1.1
297.12378	3.8
298.13052	1.1
299.10345	1.1
306.10040	1.9
307.10840	5.8
308.11514	1.6
309.08786	1.0
309.12189	5.5
311.10309	7.9
311.14005	3.4
312.10919	4.2
313.11810	3.5
314.12622	1.2
315.13101	0.7
317.09335	1.8
319.10889	0.9
321.08868	0.8
321.12433	1.0
323.10229	2.6
323.14008	3.5
324.11038	2.9
325.11691	5.2
326.12506	3.7
327.13373	7.2
327.16779	0.9
335.10260	23.2
337.11777	3.5
339.13385	56.7
340.10577	4.1
340.14011	1.5
341.11298	5.7
341.14832	0.8
352.10666	2.2
353.11310	15.9
353.15659	0.8
354.12079	5.8
355.12854	17.3
356.13721	0.9
358.15335	0.8
367.12866	42.5
368.13403	1.7
399.15561	0.9
400.16666	1.3
414.18481	0.8
418.17358	1.0
432.18997	1.5
442.17773	1.3
444.19363	1.0
451.20892	0.7
460.18713	5.1
470.17075	1.3
472.18549	1.1
474.20596	0.8
478.19797	1.9
488.18155	32.3
489.18552	1.2
490.19843	0.8
492.21375	2.6
502.19836	1.8
506.19238	21.7
520.20807	24.7
521.21173	1.2
534.18774	1.7
548.20520	1.3
586.22119	0.7
622.23938	2.7
632.22449	1.7
650.23352	13.2
654.26563	2.2
664.25500	1.0
682.26013	100.0
683.26941	3.2
714.28522	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	714.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81507	0.1
53.03952	0.1
55.05509	6.1
56.05019	0.7
57.05816	0.9
60.04523	16.3
60.40419	0.1
69.03419	0.2
70.02943	0.2
70.06590	5.5
72.08152	100.0
73.08501	0.7
74.06051	0.2
79.52213	0.2
84.04503	2.9
84.08139	0.7
85.02901	0.4
86.06062	3.2
86.09700	1.4
87.05585	1.4
89.03915	0.2
90.05544	0.3
91.05485	0.4
96.04491	0.2
96.08109	0.5
97.02885	0.2
97.63728	0.1
98.02398	0.2
98.09636	0.1
101.07121	0.1
102.05539	3.2
107.04951	0.2
110.07162	0.2
113.07129	0.3
113.10767	0.9
114.04726	0.3
114.05521	5.4
114.09164	1.7
116.07088	9.6
117.03358	0.2
119.04983	0.3
120.08090	0.7
123.04390	0.2
124.03932	0.2
124.07596	1.2
127.03998	0.2
127.08704	0.2
129.10233	0.3
130.05000	0.4
136.07594	0.3
137.05963	0.3
138.09114	0.3
141.06584	4.4
141.10223	2.8
143.11818	0.5
145.02855	0.6
147.04430	1.2
148.06033	0.3
149.06000	0.2
150.05452	0.2
153.01842	0.2
153.06570	0.2
155.08151	0.5
155.11783	0.3
156.10251	0.4
158.09238	0.2
159.07712	0.4
159.11285	16.8
163.03938	0.7
164.07043	0.3
165.06607	0.5
167.07034	1.6
167.08290	0.2
169.09764	0.8
171.11304	0.4
173.09264	0.7
177.05481	1.2
178.05795	0.2
183.07643	11.6
183.11227	2.4
187.10770	9.3
187.12524	0.2
199.10750	0.2
200.10323	0.8
201.08699	9.9
201.12315	4.1
206.08102	0.2
207.08145	0.3
211.10818	0.3
212.13943	0.4
229.11826	6.2
235.07530	0.4
236.13928	0.4
247.12808	0.3
252.13358	0.2
254.14999	10.8
262.06229	0.3
263.07022	0.2
264.13486	0.2
265.04980	0.2
265.08066	0.2
272.16034	5.7
281.08069	0.3
282.14468	21.3
283.14816	0.2
286.17606	0.4
288.15604	0.5
298.08508	0.2
298.13977	0.3
300.15527	19.8
301.15616	0.3
303.04935	0.6
304.05289	0.3
309.07474	0.3
313.10831	0.3
316.15024	4.2
318.16556	0.4
323.08865	0.2
324.09106	0.2
328.18652	0.9
341.09888	0.3
354.13361	0.7
358.12857	0.5
359.13193	0.2
372.14459	1.8
397.21103	0.3
398.40631	0.1
399.22589	0.7
401.20181	0.3
411.18750	1.5
415.21933	1.5
420.93906	0.2
429.19781	44.4
430.20184	0.6
468.24292	0.6
485.50101	0.1
486.25482	1.5
500.27966	0.8
510.25549	0.6
528.26636	27.1
529.26617	0.5
534.19745	0.7
599.30280	3.2
714.24194	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	714.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94238	0.4
53.03944	0.8
55.05509	0.8
56.05019	0.5
57.03434	1.1
61.02925	1.2
67.05501	0.5
69.03428	4.2
69.75861	0.7
69.76270	2.2
70.06601	5.7
72.08153	1.8
73.02898	0.8
78.60339	0.4
79.05500	1.4
80.05020	0.7
81.03410	2.4
81.07042	0.7
84.04519	1.1
84.08154	1.9
85.02912	5.4
86.09689	2.2
87.04459	1.1
91.05489	1.6
93.05839	0.6
93.07050	1.8
94.06564	4.4
95.04988	0.6
95.07324	1.2
96.08129	4.1
97.02898	1.9
97.06528	0.8
98.21495	0.8
99.04465	0.7
101.02376	0.5
103.05489	0.8
105.07027	0.5
107.04951	0.5
107.07328	2.2
107.43228	0.5
108.04501	1.1
108.08111	7.6
109.02867	1.0
110.06075	0.9
110.07167	1.0
110.09696	5.7
117.03410	0.5
117.05733	0.5
118.06575	0.5
119.04963	0.9
120.04423	2.5
120.08100	6.6
121.06557	0.6
122.06029	7.0
122.09681	4.5
124.07602	1.1
127.03931	1.7
129.10245	1.2
132.08093	0.9
134.09604	0.7
136.07573	13.2
137.06010	1.5
137.08398	0.5
138.05495	0.9
138.09143	9.0
139.04971	1.0
140.03439	1.2
140.05399	0.5
141.03752	0.5
145.02875	0.8
145.06558	0.4
145.10185	0.6
146.06055	2.1
147.04471	1.2
148.07565	6.4
150.05583	1.1
150.09137	7.4
151.06227	0.4
151.83273	0.5
152.07082	3.1
155.08115	0.5
160.07558	1.0
162.09096	0.6
163.03935	0.7
164.07031	3.0
166.08643	20.8
167.07076	1.1
172.03978	1.7
174.05553	0.7
176.10722	1.0
177.05507	1.2
180.10245	0.9
184.09918	0.9
186.05470	0.7
190.05006	2.1
192.10181	0.7
194.08203	1.5
196.09982	0.9
197.10779	1.6
199.12328	0.8
204.06618	0.6
207.06473	0.5
207.09386	0.7
208.09892	0.5
209.10765	1.3
211.08763	1.0
211.12344	1.3
211.89819	0.5
212.09431	1.1
213.10307	0.6
220.09943	0.9
221.10852	0.7
223.08682	1.8
223.12366	1.2
224.09433	1.1
224.12935	0.5
225.10176	4.8
226.11128	1.4
227.11826	2.3
233.10858	1.4
235.08646	2.5
235.12376	1.0
236.09424	1.4
237.10239	11.1
238.11005	1.7
239.08186	1.8
239.11752	4.9
240.08896	0.9
241.09839	0.6
247.08670	0.7
248.09416	2.4
249.10225	7.9
250.10991	3.1
251.08214	3.0
251.11823	10.4
252.08971	1.2
252.12526	1.5
253.09712	6.8
253.13350	1.3
254.10390	0.6
255.11331	3.6
261.10214	6.1
262.10986	1.2
263.08255	1.4
263.11859	7.7
264.08838	0.6
264.12512	0.6
265.09720	15.3
265.12939	0.6
266.10342	2.1
267.11282	8.3
268.11957	0.6
269.09161	0.8
269.12820	1.4
271.10715	2.2
273.12527	0.8
276.08804	1.1
277.09714	3.8
278.06635	1.4
278.10504	5.5
279.07800	3.3
279.11359	17.5
280.12131	2.9
281.09262	4.3
281.12881	2.9
282.10049	1.5
283.10782	7.6
285.12387	1.6
287.13928	1.0
289.09711	12.7
290.10504	1.3
291.11246	5.1
292.11966	0.7
293.09277	6.4
293.12906	5.3
294.10004	4.6
295.10809	5.7
296.11591	2.6
297.09058	0.9
297.12424	3.1
298.12894	0.6
299.10364	1.8
303.05203	1.4
304.05469	1.2
306.09973	1.6
307.10815	5.3
308.11630	1.5
309.08896	1.1
309.12405	5.2
310.12994	1.0
311.10324	6.1
311.13992	2.9
312.11014	3.2
313.11862	4.2
314.12558	1.5
315.13806	0.6
316.14578	0.5
317.08969	2.7
319.10724	0.8
321.08823	1.0
321.12418	1.1
323.10251	2.5
323.14029	2.9
324.10950	3.1
325.11826	5.4
326.12646	4.0
327.13391	7.3
328.14069	1.1
330.16013	0.6
335.10263	22.0
336.10999	1.1
337.11874	4.2
339.13394	54.6
340.10553	4.5
340.13971	1.0
341.11337	6.1
341.15140	1.2
343.12958	0.5
352.10788	1.3
353.11301	14.6
354.12033	6.4
354.16113	0.6
355.12891	17.4
356.13525	1.1
356.17676	0.8
367.12881	40.5
368.13599	1.4
370.15500	0.5
372.17212	1.0
386.14685	0.9
390.18250	0.6
400.16867	1.2
402.18185	0.5
416.15625	0.6
416.20792	0.6
418.17773	0.9
428.16229	0.6
432.19186	2.0
442.17731	1.8
444.19644	0.8
460.18878	4.8
461.19586	0.5
470.17001	1.3
472.18793	1.4
474.20621	1.0
478.19568	2.1
479.20477	1.4
488.18192	29.0
489.18616	1.0
490.19659	0.7
492.21545	2.4
502.19861	1.4
506.19244	18.3
517.18091	0.5
520.20898	19.1
534.19183	1.7
548.20490	0.9
552.23767	1.2
622.24146	1.8
632.22589	1.7
650.23480	11.9
654.26318	1.5
664.24738	1.4
682.26038	100.0
683.26563	3.2
714.28607	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	714.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64271	0.4
51.78968	0.4
53.03931	0.8
55.05516	0.9
55.19719	0.5
56.05020	0.5
57.03437	1.3
61.02913	1.1
67.05493	1.8
69.03420	4.8
69.07083	1.1
70.06583	6.0
71.04954	0.6
72.08144	2.0
73.02920	1.3
79.05495	1.1
81.03410	2.2
81.07064	1.7
82.06546	0.5
84.04483	1.1
84.08128	1.7
85.02896	5.4
86.09695	3.1
87.04463	0.8
88.04004	0.6
91.03973	0.5
91.05489	1.9
93.05763	0.8
93.07051	2.5
94.06565	3.5
95.07342	0.7
95.08601	1.1
96.08128	3.7
97.02858	2.9
97.06506	0.6
103.05469	0.9
105.07033	1.2
106.06559	0.7
107.04960	0.6
107.07357	1.4
107.08571	0.6
108.08096	7.0
109.02853	0.7
110.07145	0.6
110.09672	6.5
115.71450	0.4
117.03429	0.5
118.06573	0.6
120.04433	2.9
120.08112	7.7
121.06482	0.9
122.06019	7.2
122.09660	5.3
124.07622	1.2
127.03919	2.3
129.10201	1.3
132.08092	0.8
133.10124	0.6
134.06046	0.7
135.04396	0.8
136.07576	9.9
137.06024	1.6
137.08336	0.8
138.05484	0.8
138.09128	9.3
145.02853	1.5
146.06033	1.6
147.04399	1.1
148.07582	6.4
149.05940	1.0
150.05540	1.2
150.09126	8.4
152.07022	2.7
158.06052	0.6
160.07532	0.7
160.68597	0.5
162.09116	0.6
163.03883	0.5
164.07050	2.5
166.08624	21.6
167.07025	1.0
168.10208	0.9
172.03975	1.3
176.07057	0.8
176.10689	0.9
177.05481	3.9
180.10211	0.8
180.48566	0.5
186.05605	0.5
190.04968	1.3
194.08170	1.7
197.10773	1.4
204.06543	0.9
209.10797	1.2
210.11510	0.6
211.08710	0.7
211.12263	1.0
212.09482	1.3
213.10257	0.9
218.08191	0.6
221.10791	1.0
223.08617	1.3
223.12292	1.2
224.09424	1.0
225.05403	0.5
225.10240	5.5
226.10912	0.6
227.11742	2.7
233.10812	1.8
234.11629	0.6
235.08545	2.8
235.12236	1.1
236.09436	2.2
237.10185	11.8
238.10954	2.3
239.08191	2.1
239.11754	4.8
240.12566	0.6
241.09737	1.6
246.11334	0.8
247.08827	0.6
248.09386	2.6
249.10231	10.2
250.10988	4.2
251.08136	3.6
251.11778	10.8
252.09006	0.9
252.12511	2.7
253.09689	8.3
253.13469	1.1
254.10429	1.0
255.11272	4.8
261.10181	6.9
262.11023	2.6
263.08194	1.5
263.11841	7.0
264.08948	1.1
265.09708	15.8
265.12906	1.0
266.10385	2.9
267.11279	9.0
268.11987	1.0
269.09210	1.7
269.12805	1.4
271.10718	2.7
273.12415	1.1
275.07928	0.9
276.08920	0.7
277.09744	4.5
278.06906	1.2
278.10556	6.4
279.07785	3.9
279.11334	18.9
280.08646	1.1
280.12000	3.8
281.09628	3.3
281.12415	3.1
282.10104	1.7
283.10791	9.2
283.14081	0.8
284.11392	0.7
285.12515	1.4
287.13849	1.7
289.09692	13.8
290.10468	1.2
291.11249	5.8
292.08499	0.9
292.12076	1.1
293.09244	7.1
293.12863	6.2
294.10004	4.4
294.13235	1.0
295.10785	6.0
295.14032	0.7
296.11572	3.9
297.09146	0.7
297.12338	2.8
298.09473	0.9
299.10364	1.7
299.13733	1.2
306.09973	1.2
307.10764	5.4
308.11600	2.0
309.08978	0.6
309.12289	5.9
310.13083	1.2
311.10281	7.7
311.13943	4.2
312.11029	4.4
313.11716	4.4
313.14996	0.6
314.12683	1.7
315.12927	0.8
317.09296	2.2
319.10815	0.7
321.08682	1.1
321.12338	1.1
323.10190	2.3
323.13995	4.1
324.11038	3.0
325.11874	6.1
326.12680	5.5
327.13324	7.4
328.14218	1.3
335.10239	23.3
336.10724	0.9
337.11816	5.0
339.13358	58.5
340.10501	4.4
340.14020	2.1
341.11325	7.0
341.15024	2.0
342.15775	0.7
349.12079	1.6
352.10547	2.1
353.11273	12.4
354.12051	6.0
354.15979	0.8
355.12866	22.1
356.13928	1.2
357.14529	0.6
358.15326	1.1
367.12848	49.9
368.13419	1.9
370.15607	0.8
372.17172	0.9
390.18527	0.7
400.16769	0.8
416.20081	0.8
427.14948	0.6
430.17630	0.7
432.19257	1.8
442.17780	1.4
444.19403	1.0
447.18097	0.8
448.30890	1.3
451.21042	0.7
459.17996	0.8
460.18698	5.2
461.19104	0.8
470.17221	1.6
472.18790	1.5
474.20386	1.0
478.19455	2.4
479.20465	1.5
488.18149	35.4
489.18604	1.7
490.19543	0.6
492.21356	1.9
502.19855	2.9
506.19196	19.3
507.19656	1.2
520.20782	37.3
521.21277	1.4
534.18573	3.5
538.21698	0.8
548.20239	0.9
622.23810	2.1
632.21802	2.4
650.23401	17.4
651.23529	1.0
654.26489	2.0
664.24841	3.3
682.25964	100.0
683.26361	5.0
696.34698	0.7
714.28864	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	713.1554
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01869	0.4
57.03419	0.4
61.02909	0.6
65.03904	0.2
67.82675	0.1
68.99784	0.5
69.03431	1.7
70.06590	1.5
71.05008	0.2
71.51207	0.3
72.08145	0.4
73.02899	0.3
80.10283	0.1
81.03421	1.4
84.04492	0.2
84.08123	0.5
85.02903	4.5
86.09689	0.3
87.00833	0.3
87.04431	0.2
91.03952	0.2
91.05467	0.1
93.03388	0.2
95.04945	0.2
97.02888	1.6
99.04440	0.4
107.04934	0.2
109.02882	1.1
110.07150	0.2
111.00794	0.8
115.05376	0.2
121.02865	0.7
123.04411	0.4
127.03923	2.2
129.10229	0.2
135.04413	0.1
137.02328	3.6
137.05948	0.2
141.10207	0.2
145.04939	0.9
147.04489	0.2
149.02336	0.7
152.07051	0.2
153.01833	2.7
159.02890	0.3
160.05089	0.4
161.05952	0.4
163.03870	0.7
165.01830	2.1
166.02687	0.3
171.02847	0.1
173.06007	0.3
173.09122	0.1
177.05473	0.4
183.02940	0.7
183.04312	0.3
187.03833	0.2
192.07690	0.5
195.02931	0.2
199.10733	0.2
201.05501	1.4
219.06477	0.2
219.83221	0.1
229.04958	3.9
231.05025	0.3
247.05907	0.7
257.04413	2.6
274.04761	0.8
275.05420	0.3
285.03909	1.2
286.50891	0.2
296.43240	0.2
303.04974	100.0
304.05267	1.8
345.06104	0.4
465.10358	2.5
507.11319	0.2
533.09027	0.2
551.10309	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	709.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
56.05037	0.4
58.78004	0.3
60.04543	0.3
67.05490	0.4
69.03428	0.3
69.88282	1.2
70.06583	4.0
72.08150	1.9
72.95950	0.2
74.06065	0.4
79.05501	0.9
81.03414	0.3
81.07058	0.3
84.04504	0.7
84.08129	1.5
85.02901	0.4
86.09697	5.7
91.05457	0.8
93.07049	1.1
94.06554	1.3
95.04950	0.5
95.07341	0.6
95.08578	0.3
96.08124	1.8
97.06532	0.4
98.20821	0.3
102.05603	0.3
103.05433	0.5
106.06538	0.3
108.08097	2.5
110.07164	1.1
110.09668	3.6
115.48166	0.3
120.04462	1.2
120.08096	4.7
122.06041	1.0
122.09666	0.7
123.04319	0.3
123.06817	0.3
124.07567	1.2
127.03947	0.3
129.10240	0.8
131.08521	0.4
132.08035	0.4
134.06027	0.3
136.07590	3.2
137.05952	0.5
138.09126	5.8
138.10107	0.5
145.02847	0.6
146.06049	0.5
147.04451	0.3
148.07582	1.2
150.09148	0.8
152.07080	1.2
159.09177	0.6
161.05911	0.3
162.05478	0.4
162.09140	0.5
163.03880	0.6
164.07074	0.8
166.08623	6.6
166.09981	0.5
167.07045	0.3
167.09166	0.4
172.03891	1.4
173.12881	0.5
177.05464	1.0
178.08589	0.3
180.10207	0.6
182.11720	0.4
190.05046	0.3
194.08141	1.1
196.09718	0.6
197.10799	0.5
198.11488	0.3
201.12343	0.6
204.06546	3.0
207.06621	0.5
209.10687	0.3
212.09483	0.5
213.10286	0.5
224.09438	0.5
225.10236	1.6
226.11006	0.4
229.05125	0.3
235.08611	0.5
236.09404	1.1
237.10161	2.7
238.11052	0.8
239.08142	0.7
239.11836	1.1
241.09712	0.4
248.09283	0.8
249.10210	2.3
250.11026	0.8
251.08174	1.4
251.11755	2.1
252.08960	0.7
252.12556	0.4
253.09720	1.9
255.11230	0.5
261.10193	1.2
263.08109	0.4
263.11722	1.0
265.09708	3.7
265.12546	0.4
266.10522	0.9
267.11307	2.5
268.11847	0.3
269.09186	0.6
269.12820	0.6
271.01334	0.3
271.10834	1.1
277.09738	1.0
278.10602	1.9
279.07739	2.0
279.11331	4.2
280.08569	0.5
280.11948	1.1
281.09143	1.2
281.12799	1.0
282.09998	0.8
283.10785	3.6
285.12390	0.6
287.13977	1.5
289.09723	1.8
290.10498	0.5
291.11295	1.1
293.09210	1.2
293.12842	1.9
294.10046	2.2
295.10825	1.5
295.13934	0.3
296.11603	1.0
296.19775	0.5
297.09003	0.4
297.12332	1.2
298.09613	0.4
299.10342	1.7
299.13510	0.4
301.11667	0.4
303.13474	0.6
306.10049	0.4
307.10895	0.7
309.12213	1.5
311.10242	3.4
311.13846	1.0
312.11038	1.4
313.11728	1.7
314.12500	1.2
314.20844	0.3
315.13297	0.4
323.10269	1.0
323.13980	0.5
324.11142	1.0
325.11789	1.7
326.12582	2.4
327.13376	5.0
335.10168	2.9
337.11923	0.9
339.13364	23.2
340.10495	0.5
340.14005	0.8
352.10626	0.6
353.11377	0.7
354.12030	2.2
355.12820	7.5
357.14563	0.6
367.12857	12.9
371.12360	1.2
371.16412	0.5
372.13025	0.3
373.13864	0.4
386.14816	1.0
387.15393	1.3
388.16483	0.3
399.15463	3.6
418.17639	0.4
444.19092	0.3
451.21210	0.6
452.21570	0.6
460.18530	1.3
464.22049	0.4
474.15823	0.5
479.20453	2.0
488.18317	0.9
492.21194	2.6
520.20734	7.2
552.23358	100.0
553.23712	3.5
627.24799	1.1
664.09454	0.3
672.07269	0.3
709.37250	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	709.307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59584	4.0
70.06566	1.7
79.05482	0.6
84.08120	0.8
86.09701	1.2
86.95001	0.7
91.05503	0.9
91.91583	0.6
93.07033	1.6
94.06568	2.1
95.07346	0.8
96.08128	3.3
108.08114	3.8
110.09678	7.2
113.94135	0.6
120.04462	2.4
120.08105	5.0
122.06022	2.1
122.09700	0.8
124.07553	1.2
134.06036	0.6
136.07552	4.2
138.09134	8.4
144.04456	0.7
146.06032	1.4
148.07533	1.3
150.09109	0.9
151.11008	0.6
152.07117	1.5
162.05498	0.8
164.07042	0.8
166.08621	10.0
172.03931	1.9
176.07080	0.6
182.11853	0.7
184.67662	0.6
190.04990	2.7
194.08160	1.5
197.10718	0.8
202.54773	0.6
204.06525	4.1
212.09480	0.8
213.10147	0.8
222.11603	0.6
223.08749	0.9
223.12282	0.8
225.10286	2.5
227.11826	1.1
234.11739	0.6
235.08682	0.9
236.09525	1.4
237.10277	5.0
238.10989	0.9
239.11768	2.3
241.09654	0.6
243.11339	1.1
248.09308	1.7
249.10222	4.3
250.11029	1.6
251.08159	3.0
251.11818	4.4
253.09761	3.2
254.10332	0.6
255.11427	0.9
261.10181	1.8
262.11047	0.7
263.08392	0.5
263.11798	2.6
264.08981	0.7
265.09683	6.5
266.10400	0.9
267.11285	5.6
269.09189	0.9
269.12762	0.8
271.10754	2.2
273.12344	1.6
277.09744	2.1
277.73911	0.6
278.10516	3.4
279.07773	3.6
279.11285	8.6
280.12064	2.0
281.09299	2.5
281.12750	1.5
282.09903	0.8
283.10721	5.3
285.12241	3.8
287.10464	0.6
287.13956	1.7
289.09818	3.8
291.11200	1.6
292.11823	0.7
293.09244	1.7
293.12869	3.2
294.09979	5.1
295.10919	3.6
295.14066	1.0
296.11575	1.9
297.12308	1.7
299.10226	1.8
299.13562	0.7
303.13318	2.9
306.09732	1.3
307.10876	1.4
308.11743	0.8
309.09103	0.6
309.12161	3.0
311.10303	5.0
311.13889	1.8
312.11053	2.1
313.11893	2.2
314.12671	1.7
314.16415	0.6
315.13388	0.9
317.09393	0.9
323.10168	1.2
323.13812	1.1
324.11154	2.5
325.11850	5.2
326.12509	3.8
327.13336	8.2
335.10281	9.0
339.13376	43.0
340.10403	2.1
340.13849	1.7
343.13141	0.7
353.11215	1.2
354.12137	5.2
354.16187	0.9
355.12854	12.1
356.13718	0.7
357.14716	1.3
367.12866	28.4
368.13324	1.0
386.14969	1.4
387.15485	1.2
400.16214	0.7
414.14197	1.4
415.15393	2.3
432.14972	1.2
442.17609	0.7
447.18076	0.7
456.15439	0.9
460.18680	2.0
462.16559	1.3
470.17081	0.7
474.16031	3.0
479.20551	2.9
479.87109	0.7
488.18100	6.3
492.21564	4.4
506.18875	0.8
520.20782	100.0
521.21155	5.2
538.21857	2.9
552.23401	51.5
553.23895	3.9
599.24493	0.6
609.23358	1.1
627.24420	16.1
628.24878	1.6
659.27008	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	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01379	4.5
52.40809	4.7
53.03931	14.4
55.01859	9.1
55.05508	44.9
57.03440	13.2
57.07050	8.2
57.52721	4.8
62.86061	4.8
67.05505	100.0
69.03421	19.6
69.07047	22.6
71.04962	12.4
71.52156	5.6
79.05494	66.6
81.03416	98.8
81.07056	98.5
83.04986	46.2
83.08598	23.5
84.41622	5.4
85.02893	22.3
86.09716	10.3
87.04457	16.2
91.05472	68.3
93.07037	67.8
95.04963	29.6
95.08611	66.7
97.02868	25.5
97.06519	8.8
97.10155	11.0
99.04488	4.8
105.07021	49.4
107.08595	37.1
109.02880	16.2
109.06490	9.0
109.10128	32.7
111.04432	22.6
111.08073	11.7
113.05991	7.0
117.06987	8.6
119.08571	37.5
121.06531	6.0
121.10124	32.6
123.08069	5.1
123.11663	13.8
125.38518	4.8
127.03914	10.5
129.05481	8.5
129.06967	13.8
131.08516	24.0
133.06502	4.7
133.10124	29.2
135.11670	24.0
143.08533	11.7
145.10126	22.3
145.74948	5.1
147.08012	9.3
147.11691	28.2
149.09645	8.5
149.13243	5.5
153.12723	7.9
157.10117	21.4
159.11678	8.0
161.09622	5.9
161.13271	6.8
163.11192	10.1
165.12715	8.0
171.11737	7.4
173.09590	7.4
173.13298	6.3
175.11136	15.0
175.14839	6.4
181.12228	10.5
184.07349	33.9
185.07658	7.1
191.10721	7.0
193.12233	34.7
206.81413	6.2
211.13251	70.9
227.12695	30.4
261.22064	9.3
267.15778	13.0
277.21716	7.2
283.15414	12.3
285.16885	35.0
335.22025	5.4
335.25613	29.5
337.27432	12.8
355.17444	7.7
369.24203	9.4
387.25134	6.1
429.21051	8.4
527.37036	14.0
545.38239	39.3
595.47198	8.1
609.44458	5.6
641.39270	6.4
653.39789	11.7
671.41028	8.8
689.42639	24.3
707.46625	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	708.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01871	3.3
55.05504	6.4
57.03439	3.8
58.79756	1.1
61.02926	3.4
67.05506	12.2
69.03438	2.1
69.07075	6.4
70.06595	3.9
71.55719	2.0
75.69432	1.2
79.05492	12.0
81.03425	5.2
81.07051	16.6
83.04995	5.3
83.08624	4.7
84.08144	2.5
85.02907	5.9
86.09722	3.4
91.03977	2.2
91.05469	10.1
93.07040	15.0
95.04967	6.1
95.08603	10.8
97.02935	2.3
97.06564	2.4
97.10159	2.9
98.09679	1.7
100.22462	1.1
105.07033	14.3
107.04945	6.1
107.08575	10.0
109.06532	6.5
109.10152	6.3
111.08067	2.1
116.10796	1.4
117.07036	3.2
119.08577	7.7
120.08070	1.5
121.06487	8.6
121.10123	6.0
123.08093	2.6
123.11781	1.8
125.09648	2.0
127.03896	1.3
129.07004	2.3
129.31075	1.0
131.08556	7.5
133.06522	1.9
133.10136	12.2
135.08096	3.9
135.11717	5.3
142.01965	1.1
143.08542	1.8
145.06506	1.6
145.10085	7.7
147.08069	3.2
147.11726	6.5
149.09628	4.3
149.13287	1.6
151.11230	3.0
151.12408	1.0
152.07088	1.3
155.08496	1.7
157.10153	3.2
159.08041	2.4
159.11650	5.8
161.09622	2.8
161.13220	2.0
163.11201	3.9
165.09138	1.4
171.11702	1.7
173.09668	3.3
173.13263	4.1
175.11241	1.4
177.05525	2.2
177.12692	1.3
183.11681	1.9
184.89163	1.1
187.11218	1.5
191.14252	1.3
193.12257	2.9
197.34740	1.1
207.13760	1.3
211.13286	2.6
215.17902	1.6
219.13631	2.7
229.19530	1.4
240.49263	1.3
257.19073	4.9
267.15958	2.6
275.20050	31.8
276.20380	1.7
283.15430	5.1
293.21140	2.4
349.23721	100.0
350.24008	4.2
367.24677	2.6
470.22202	1.3
475.27100	2.0
493.27905	7.1
511.29044	4.6
546.96198	1.4
624.11176	1.3
708.36249	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	708.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01868	1.6
55.05509	6.2
56.05015	4.7
57.03423	2.1
67.05488	5.3
69.07065	6.4
69.33315	3.4
69.33717	8.5
70.06590	6.5
71.08624	11.1
72.08131	3.6
72.08508	1.1
75.22959	1.3
79.05466	3.9
81.03394	3.3
81.07047	9.3
82.06590	2.1
83.04962	1.4
83.06088	5.1
83.07352	2.8
83.08622	6.0
84.04504	23.1
84.08146	6.0
85.02902	1.6
85.06536	2.1
86.06073	12.2
86.09692	5.1
91.05460	3.1
93.07048	6.2
95.04961	2.8
95.08594	5.6
96.08125	6.7
98.09692	100.0
99.08092	6.5
101.07120	4.2
102.05539	2.2
105.07020	2.1
107.08594	3.1
107.83251	1.3
109.10156	2.8
116.10729	51.3
117.09100	1.3
119.08541	1.8
120.08088	2.0
121.06516	1.4
121.10130	3.0
122.09663	2.6
123.08072	1.7
123.11676	1.4
124.99960	4.0
129.06584	4.4
129.10239	2.1
130.04988	11.6
133.10112	1.5
135.11642	1.8
136.48155	1.6
138.54265	1.2
142.12260	9.4
147.07690	2.9
149.09647	1.7
149.13268	2.7
166.15878	3.5
167.14288	1.9
173.11739	5.4
176.10684	1.8
178.06288	2.8
178.15895	4.2
184.07350	1.9
193.12198	1.5
196.07356	18.1
196.16982	28.1
209.11510	2.0
212.16435	13.9
214.18004	13.2
230.17557	1.5
231.15808	2.2
237.19824	1.5
238.17963	5.8
248.81827	1.2
252.09903	8.9
255.78053	1.3
256.19354	1.4
264.11304	1.3
267.15921	1.3
270.10971	17.7
274.21762	1.5
283.15417	3.0
291.24396	1.5
292.22772	6.4
294.14645	1.3
309.25259	1.8
310.23666	5.3
323.19714	3.7
350.17136	6.5
368.18311	73.6
390.30072	7.1
408.30948	3.6
420.28888	2.2
438.29593	13.0
456.30521	5.3
475.26648	1.7
493.27805	6.8
518.35107	1.5
536.27936	4.4
536.36890	65.8
537.37384	2.7
592.30145	11.5
593.28638	1.8
610.30878	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	709.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90947	1.1
53.03941	1.4
56.05035	1.3
67.05497	2.6
67.62391	1.2
69.07034	1.7
70.06591	10.8
71.55215	1.4
72.08145	4.7
79.05505	2.0
80.05022	1.6
81.03411	1.6
81.07073	1.7
82.06525	1.2
83.06104	1.6
84.04495	4.1
84.08125	5.1
85.02927	2.6
86.09695	7.1
91.05461	3.5
93.07056	4.0
94.06559	5.3
95.04946	1.9
95.07343	4.3
95.08616	2.4
96.08129	6.1
102.05547	2.1
107.08578	1.6
108.08120	11.8
109.10232	1.4
110.07159	2.0
110.09662	9.9
112.25599	1.5
116.04977	2.5
117.03347	1.3
120.04507	2.2
120.08095	11.9
121.10119	1.6
122.06029	5.5
124.07603	4.9
129.01956	1.5
130.04999	2.4
134.06035	2.7
136.07556	13.9
137.05923	1.2
138.05455	1.7
138.09111	11.4
140.32333	1.3
144.04422	8.6
146.05927	2.5
148.07533	3.8
150.05469	2.3
152.07079	3.1
160.03870	2.2
162.05499	4.5
164.07108	3.0
166.08647	13.0
167.07118	1.5
172.03929	40.6
172.07607	1.5
174.05551	2.2
176.07060	1.9
177.05437	2.7
186.09155	6.0
188.07182	1.7
190.04965	8.2
196.07729	1.5
196.69464	1.3
199.08650	2.1
202.11032	2.7
203.11815	4.4
204.06557	69.3
213.10136	2.1
214.08669	6.6
215.08206	2.7
215.11845	1.4
222.07764	1.3
225.10312	3.6
227.11617	1.6
229.09834	2.7
230.10559	1.9
231.11304	5.3
237.10214	4.4
239.08109	1.9
239.11903	1.7
241.09795	2.2
243.11296	2.8
245.09035	2.5
248.09364	1.3
249.10114	6.3
251.11816	2.4
253.09810	2.2
255.11244	2.7
259.10782	67.3
261.10187	2.1
263.11810	1.5
264.09042	1.8
265.09729	2.8
267.11459	1.8
269.12738	1.4
271.10767	2.1
273.12421	2.4
277.09705	3.1
278.10480	2.1
279.11249	3.7
280.12192	1.9
281.09360	1.8
283.10852	5.5
287.10251	3.8
289.11877	3.7
291.11212	1.7
293.09232	1.8
295.10855	1.5
297.12503	2.6
299.10300	2.9
300.11063	3.1
301.11823	100.0
309.12076	1.8
311.10400	2.8
313.11844	1.7
318.12204	3.0
319.12839	33.1
323.10284	1.6
324.10968	3.6
325.11755	11.1
328.14389	2.0
339.09714	2.3
339.13605	2.9
340.14435	1.5
341.11353	2.2
342.12286	3.6
343.13025	2.4
352.14670	1.7
354.12323	2.3
355.13339	2.0
356.13663	5.5
357.14447	13.5
358.11603	1.9
360.13483	1.4
367.13461	1.5
368.13794	1.8
371.12509	2.4
372.13290	3.2
373.13995	1.6
386.15207	1.9
396.13837	1.6
400.12543	2.0
402.14508	2.6
404.16180	1.9
416.15994	2.0
430.13684	1.7
432.15488	2.8
454.13956	3.1
460.15051	5.7
472.14954	4.0
492.17554	4.7
504.17752	6.3
508.17453	1.8
520.20355	1.6
552.23053	3.9
598.23602	2.3
608.22089	5.2
613.22833	15.3
614.23407	1.9
625.22632	1.6
626.23975	6.6
639.24347	2.1
640.24976	4.4
657.25391	3.8
677.24493	1.7
739.88971	1.4
END